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martini_v2.0_lipids_all_201506.itp
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;
; Collection with all all Martini lipids, compiled on 201506
;
;;;;;; Martini lipid topology for di-C20:4-C22:5 PC (DAPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DAPC_01.itp -alname DAPC -alhead 'C P' -allink 'G G' -altail 'DDDDC DDDDC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic e.g. C20:4(5c,8c,11c,14c) di-arachidonic acid (AA),
; - C22:5(4c,7c,10c,13c,16c) docosapentaenoic acid tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=DDDDC DDDDC, alname=DAPC, charge=0.0
;@RESNTEST DAP==DAPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 D1A D2A D3A D4A C5A D1B D2B D3B D4B C5B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-D1A D1A-D2A D2A-D3A D3A-D4A D4A-C5A GL2-D1B D1B-D2B D2B-D3B D3B-D4B D4B-C5B
;
[moleculetype]
; molname nrexcl
DAPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DAPC NC3 1 1.0
2 Qa 1 DAPC PO4 2 -1.0
3 Na 1 DAPC GL1 3 0
4 Na 1 DAPC GL2 4 0
5 C4 1 DAPC D1A 5 0
6 C4 1 DAPC D2A 6 0
7 C4 1 DAPC D3A 7 0
8 C4 1 DAPC D4A 8 0
9 C1 1 DAPC C5A 9 0
10 C4 1 DAPC D1B 10 0
11 C4 1 DAPC D2B 11 0
12 C4 1 DAPC D3B 12 0
13 C4 1 DAPC D4B 13 0
14 C1 1 DAPC C5B 14 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
7 8 1 0.47 1250
8 9 1 0.47 1250
4 10 1 0.47 1250
10 11 1 0.47 1250
11 12 1 0.47 1250
12 13 1 0.47 1250
13 14 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 100.0 10.0
5 6 7 2 100.0 10.0
6 7 8 2 100.0 10.0
7 8 9 2 120.0 45.0
4 10 11 2 100.0 10.0
10 11 12 2 100.0 10.0
11 12 13 2 100.0 10.0
12 13 14 2 120.0 45.0
;;;;;; Martini lipid topology for di-C20:0-C22:0 PC (DBPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DBPC_01.itp -alname DBPC -alhead 'C P' -allink 'G G' -altail 'CCCCC CCCCC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic C20:0 diarachidoyl - C22:0 dibehenoyl tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CCCCC CCCCC, alname=DBPC, charge=0.0
;@RESNTEST DBP==DBPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A C2A C3A C4A C5A C1B C2B C3B C4B C5B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-C2A C2A-C3A C3A-C4A C4A-C5A GL2-C1B C1B-C2B C2B-C3B C3B-C4B C4B-C5B
;
[moleculetype]
; molname nrexcl
DBPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DBPC NC3 1 1.0
2 Qa 1 DBPC PO4 2 -1.0
3 Na 1 DBPC GL1 3 0
4 Na 1 DBPC GL2 4 0
5 C1 1 DBPC C1A 5 0
6 C1 1 DBPC C2A 6 0
7 C1 1 DBPC C3A 7 0
8 C1 1 DBPC C4A 8 0
9 C1 1 DBPC C5A 9 0
10 C1 1 DBPC C1B 10 0
11 C1 1 DBPC C2B 11 0
12 C1 1 DBPC C3B 12 0
13 C1 1 DBPC C4B 13 0
14 C1 1 DBPC C5B 14 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
7 8 1 0.47 1250
8 9 1 0.47 1250
4 10 1 0.47 1250
10 11 1 0.47 1250
11 12 1 0.47 1250
12 13 1 0.47 1250
13 14 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0
5 6 7 2 180.0 25.0
6 7 8 2 180.0 25.0
7 8 9 2 180.0 25.0
4 10 11 2 180.0 25.0
10 11 12 2 180.0 25.0
11 12 13 2 180.0 25.0
12 13 14 2 180.0 25.0
;;;;;; Martini lipid topology for di-C16:3-C18:3 PC (DFPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DFPC_01.itp -alname DFPC -alhead 'C P' -allink 'G G' -altail 'CDDD CDDD'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic e.g. C18:3(6c,9c,12c) dioctadecatrienoyl tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CDDD CDDD, alname=DFPC, charge=0.0
;@RESNTEST DFP==DFPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A D2A D3A D4A C1B D2B D3B D4B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-D2A D2A-D3A D3A-D4A GL2-C1B C1B-D2B D2B-D3B D3B-D4B
;
[moleculetype]
; molname nrexcl
DFPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DFPC NC3 1 1.0
2 Qa 1 DFPC PO4 2 -1.0
3 Na 1 DFPC GL1 3 0
4 Na 1 DFPC GL2 4 0
5 C1 1 DFPC C1A 5 0
6 C4 1 DFPC D2A 6 0
7 C4 1 DFPC D3A 7 0
8 C4 1 DFPC D4A 8 0
9 C1 1 DFPC C1B 9 0
10 C4 1 DFPC D2B 10 0
11 C4 1 DFPC D3B 11 0
12 C4 1 DFPC D4B 12 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
7 8 1 0.47 1250
4 9 1 0.47 1250
9 10 1 0.47 1250
10 11 1 0.47 1250
11 12 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0
5 6 7 2 100.0 10.0
6 7 8 2 100.0 10.0
4 9 10 2 180.0 25.0
9 10 11 2 100.0 10.0
10 11 12 2 100.0 10.0
;;;;;; Martini lipid topology for di-C20:1-C22:1 PC (DGPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DGPC_01.itp -alname DGPC -alhead 'C P' -allink 'G G' -altail 'CCDCC CCDCC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic e.g. C20:1(11c) di-gondoic acid,
; C22:1(13c) dierucoyl tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CCDCC CCDCC, alname=DGPC, charge=0.0
;@RESNTEST DGP==DGPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A C2A D3A C4A C5A C1B C2B D3B C4B C5B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-C2A C2A-D3A D3A-C4A C4A-C5A GL2-C1B C1B-C2B C2B-D3B D3B-C4B C4B-C5B
;
[moleculetype]
; molname nrexcl
DGPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DGPC NC3 1 1.0
2 Qa 1 DGPC PO4 2 -1.0
3 Na 1 DGPC GL1 3 0
4 Na 1 DGPC GL2 4 0
5 C1 1 DGPC C1A 5 0
6 C1 1 DGPC C2A 6 0
7 C3 1 DGPC D3A 7 0
8 C1 1 DGPC C4A 8 0
9 C1 1 DGPC C5A 9 0
10 C1 1 DGPC C1B 10 0
11 C1 1 DGPC C2B 11 0
12 C3 1 DGPC D3B 12 0
13 C1 1 DGPC C4B 13 0
14 C1 1 DGPC C5B 14 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
7 8 1 0.47 1250
8 9 1 0.47 1250
4 10 1 0.47 1250
10 11 1 0.47 1250
11 12 1 0.47 1250
12 13 1 0.47 1250
13 14 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0
5 6 7 2 180.0 25.0
6 7 8 2 120.0 45.0
7 8 9 2 180.0 25.0
4 10 11 2 180.0 25.0
10 11 12 2 180.0 25.0
11 12 13 2 120.0 45.0
12 13 14 2 180.0 25.0
;;;;;; Martini lipid topology for di-C16:2-C18:2 PC (DIPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DIPC_01.itp -alname DIPC -alhead 'C P' -allink 'G G' -altail 'CDDC CDDC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic e.g. C18:2(9c,12c) dilinoleoyl (DLPC or DLiPC) tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules. Note, previously this lipid was
; called DUPC.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CDDC CDDC, alname=DIPC, charge=0.0
;@RESNTEST DIP==DIPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A D2A D3A C4A C1B D2B D3B C4B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-D2A D2A-D3A D3A-C4A GL2-C1B C1B-D2B D2B-D3B D3B-C4B
;
[moleculetype]
; molname nrexcl
DIPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DIPC NC3 1 1.0
2 Qa 1 DIPC PO4 2 -1.0
3 Na 1 DIPC GL1 3 0
4 Na 1 DIPC GL2 4 0
5 C1 1 DIPC C1A 5 0
6 C4 1 DIPC D2A 6 0
7 C4 1 DIPC D3A 7 0
8 C1 1 DIPC C4A 8 0
9 C1 1 DIPC C1B 9 0
10 C4 1 DIPC D2B 10 0
11 C4 1 DIPC D3B 11 0
12 C1 1 DIPC C4B 12 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
7 8 1 0.47 1250
4 9 1 0.47 1250
9 10 1 0.47 1250
10 11 1 0.47 1250
11 12 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0
5 6 7 2 100.0 10.0
6 7 8 2 120.0 45.0
4 9 10 2 180.0 25.0
9 10 11 2 100.0 10.0
10 11 12 2 120.0 45.0
;;;;;; Martini lipid topology for di-C12:0-C14:0 PC (DLPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DLPC_01.itp -alname DLPC -alhead 'C P' -allink 'G G' -altail 'CCC CCC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic C12:0 dilauroyl (DLPC) -
; C14:0 dimyristoyl (DMPC) tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CCC CCC, alname=DLPC, charge=0.0
;@RESNTEST DLP==DLPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A C2A C3A C1B C2B C3B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-C2A C2A-C3A GL2-C1B C1B-C2B C2B-C3B
;
[moleculetype]
; molname nrexcl
DLPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DLPC NC3 1 1.0
2 Qa 1 DLPC PO4 2 -1.0
3 Na 1 DLPC GL1 3 0
4 Na 1 DLPC GL2 4 0
5 C1 1 DLPC C1A 5 0
6 C1 1 DLPC C2A 6 0
7 C1 1 DLPC C3A 7 0
8 C1 1 DLPC C1B 8 0
9 C1 1 DLPC C2B 9 0
10 C1 1 DLPC C3B 10 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
4 8 1 0.47 1250
8 9 1 0.47 1250
9 10 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0
5 6 7 2 180.0 25.0
4 8 9 2 180.0 25.0
8 9 10 2 180.0 25.0
;;;;;; Martini lipid topology for di-C24:1-C26:1 PC (DNPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DNPC_01.itp -alname DNPC -alhead 'C P' -allink 'G G' -altail 'CCCDCC CCCDCC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic e.g. C24:1(9c) di-nervonic acid, C26:1(9c) tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CCCDCC CCCDCC, alname=DNPC, charge=0.0
;@RESNTEST DNP==DNPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A C2A C3A D4A C5A C6A C1B C2B C3B D4B C5B C6B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-C2A C2A-C3A C3A-D4A D4A-C5A C5A-C6A GL2-C1B C1B-C2B C2B-C3B C3B-D4B D4B-C5B C5B-C6B
;
[moleculetype]
; molname nrexcl
DNPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DNPC NC3 1 1.0
2 Qa 1 DNPC PO4 2 -1.0
3 Na 1 DNPC GL1 3 0
4 Na 1 DNPC GL2 4 0
5 C1 1 DNPC C1A 5 0
6 C1 1 DNPC C2A 6 0
7 C1 1 DNPC C3A 7 0
8 C3 1 DNPC D4A 8 0
9 C1 1 DNPC C5A 9 0
10 C1 1 DNPC C6A 10 0
11 C1 1 DNPC C1B 11 0
12 C1 1 DNPC C2B 12 0
13 C1 1 DNPC C3B 13 0
14 C3 1 DNPC D4B 14 0
15 C1 1 DNPC C5B 15 0
16 C1 1 DNPC C6B 16 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
7 8 1 0.47 1250
8 9 1 0.47 1250
9 10 1 0.47 1250
4 11 1 0.47 1250
11 12 1 0.47 1250
12 13 1 0.47 1250
13 14 1 0.47 1250
14 15 1 0.47 1250
15 16 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0
5 6 7 2 180.0 25.0
6 7 8 2 180.0 25.0
7 8 9 2 120.0 45.0
8 9 10 2 180.0 25.0
4 11 12 2 180.0 25.0
11 12 13 2 180.0 25.0
12 13 14 2 180.0 25.0
13 14 15 2 120.0 45.0
14 15 16 2 180.0 25.0
;;;;;; Martini lipid topology for di-C16:1-C18:1 PC (DOPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DOPC_01.itp -alname DOPC -alhead 'C P' -allink 'G G' -altail 'CDCC CDCC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic e.g. C16:1(9c), C18:1(9c) dioleoyl (DOPC) tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CDCC CDCC, alname=DOPC, charge=0.0
;@RESNTEST DOP==DOPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A D2A C3A C4A C1B D2B C3B C4B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-D2A D2A-C3A C3A-C4A GL2-C1B C1B-D2B D2B-C3B C3B-C4B
;
[moleculetype]
; molname nrexcl
DOPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DOPC NC3 1 1.0
2 Qa 1 DOPC PO4 2 -1.0
3 Na 1 DOPC GL1 3 0
4 Na 1 DOPC GL2 4 0
5 C1 1 DOPC C1A 5 0
6 C3 1 DOPC D2A 6 0
7 C1 1 DOPC C3A 7 0
8 C1 1 DOPC C4A 8 0
9 C1 1 DOPC C1B 9 0
10 C3 1 DOPC D2B 10 0
11 C1 1 DOPC C3B 11 0
12 C1 1 DOPC C4B 12 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
7 8 1 0.47 1250
4 9 1 0.47 1250
9 10 1 0.47 1250
10 11 1 0.47 1250
11 12 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0
5 6 7 2 120.0 45.0
6 7 8 2 180.0 25.0
4 9 10 2 180.0 25.0
9 10 11 2 120.0 45.0
10 11 12 2 180.0 25.0
;;;;;; Martini lipid topology for di-C16:0-C18:0 PC (DPPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DPPC_01.itp -alname DPPC -alhead 'C P' -allink 'G G' -altail 'CCCC CCCC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic C16:0 dipalmitoyl (DPPC) -
; C18:0 distearoyl (DSPC) tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CCCC CCCC, alname=DPPC, charge=0.0
;@RESNTEST DPP==DPPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A C2A C3A C4A C1B C2B C3B C4B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-C2A C2A-C3A C3A-C4A GL2-C1B C1B-C2B C2B-C3B C3B-C4B
;
[moleculetype]
; molname nrexcl
DPPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DPPC NC3 1 1.0
2 Qa 1 DPPC PO4 2 -1.0
3 Na 1 DPPC GL1 3 0
4 Na 1 DPPC GL2 4 0
5 C1 1 DPPC C1A 5 0
6 C1 1 DPPC C2A 6 0
7 C1 1 DPPC C3A 7 0
8 C1 1 DPPC C4A 8 0
9 C1 1 DPPC C1B 9 0
10 C1 1 DPPC C2B 10 0
11 C1 1 DPPC C3B 11 0
12 C1 1 DPPC C4B 12 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
7 8 1 0.47 1250
4 9 1 0.47 1250
9 10 1 0.47 1250
10 11 1 0.47 1250
11 12 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0
5 6 7 2 180.0 25.0
6 7 8 2 180.0 25.0
4 9 10 2 180.0 25.0
9 10 11 2 180.0 25.0
10 11 12 2 180.0 25.0
;;;;;; Martini lipid topology for di-C24:6-C26:6 PC (DRPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DRPC_01.itp -alname DRPC -alhead 'C P' -allink 'G G' -altail 'DDDDDD DDDDDD'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic e.g. C24:6(6c,9c,12c,15c,18c,21c) nisinic acid tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=DDDDDD DDDDDD, alname=DRPC, charge=0.0
;@RESNTEST DRP==DRPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 D1A D2A D3A D4A D5A D6A D1B D2B D3B D4B D5B D6B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-D1A D1A-D2A D2A-D3A D3A-D4A D4A-D5A D5A-D6A GL2-D1B D1B-D2B D2B-D3B D3B-D4B D4B-D5B D5B-D6B
;
[moleculetype]
; molname nrexcl
DRPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DRPC NC3 1 1.0
2 Qa 1 DRPC PO4 2 -1.0
3 Na 1 DRPC GL1 3 0
4 Na 1 DRPC GL2 4 0
5 C4 1 DRPC D1A 5 0
6 C4 1 DRPC D2A 6 0
7 C4 1 DRPC D3A 7 0
8 C4 1 DRPC D4A 8 0
9 C4 1 DRPC D5A 9 0
10 C4 1 DRPC D6A 10 0
11 C4 1 DRPC D1B 11 0
12 C4 1 DRPC D2B 12 0
13 C4 1 DRPC D3B 13 0
14 C4 1 DRPC D4B 14 0
15 C4 1 DRPC D5B 15 0
16 C4 1 DRPC D6B 16 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
7 8 1 0.47 1250
8 9 1 0.47 1250
9 10 1 0.47 1250
4 11 1 0.47 1250
11 12 1 0.47 1250
12 13 1 0.47 1250
13 14 1 0.47 1250
14 15 1 0.47 1250
15 16 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 100.0 10.0
5 6 7 2 100.0 10.0
6 7 8 2 100.0 10.0
7 8 9 2 100.0 10.0
8 9 10 2 100.0 10.0
4 11 12 2 100.0 10.0
11 12 13 2 100.0 10.0
12 13 14 2 100.0 10.0
13 14 15 2 100.0 10.0
14 15 16 2 100.0 10.0
;;;;;; Martini lipid topology for di-C08:0-C10:0 PC (DTPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DTPC_01.itp -alname DTPC -alhead 'C P' -allink 'G G' -altail 'CC CC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic C8:0 dioctanoyl - C10:0 didecanoyl tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CC CC, alname=DTPC, charge=0.0
;@RESNTEST DTP==DTPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A C2A C1B C2B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-C2A GL2-C1B C1B-C2B
;
[moleculetype]
; molname nrexcl
DTPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DTPC NC3 1 1.0
2 Qa 1 DTPC PO4 2 -1.0
3 Na 1 DTPC GL1 3 0
4 Na 1 DTPC GL2 4 0
5 C1 1 DTPC C1A 5 0
6 C1 1 DTPC C2A 6 0
7 C1 1 DTPC C1B 7 0
8 C1 1 DTPC C2B 8 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
4 7 1 0.47 1250
7 8 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0
4 7 8 2 180.0 25.0
;;;;;; Martini lipid topology for di-C16:1-C18:1 PC (DVPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DVPC_01.itp -alname DVPC -alhead 'C P' -allink 'G G' -altail 'CCDC CCDC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic e.g. C16:1(11c), C18:1(11c), C18:1(12c) tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CCDC CCDC, alname=DVPC, charge=0.0
;@RESNTEST DVP==DVPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A C2A D3A C4A C1B C2B D3B C4B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-C2A C2A-D3A D3A-C4A GL2-C1B C1B-C2B C2B-D3B D3B-C4B
;
[moleculetype]
; molname nrexcl
DVPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DVPC NC3 1 1.0
2 Qa 1 DVPC PO4 2 -1.0
3 Na 1 DVPC GL1 3 0
4 Na 1 DVPC GL2 4 0
5 C1 1 DVPC C1A 5 0
6 C1 1 DVPC C2A 6 0
7 C3 1 DVPC D3A 7 0
8 C1 1 DVPC C4A 8 0
9 C1 1 DVPC C1B 9 0
10 C1 1 DVPC C2B 10 0
11 C3 1 DVPC D3B 11 0
12 C1 1 DVPC C4B 12 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
7 8 1 0.47 1250
4 9 1 0.47 1250
9 10 1 0.47 1250
10 11 1 0.47 1250
11 12 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0
5 6 7 2 180.0 25.0
6 7 8 2 120.0 45.0
4 9 10 2 180.0 25.0
9 10 11 2 180.0 25.0
10 11 12 2 120.0 45.0
;;;;;; Martini lipid topology for di-C24:0-C26:0 PC (DXPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DXPC_01.itp -alname DXPC -alhead 'C P' -allink 'G G' -altail 'CCCCCC CCCCCC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic C24:0 dilignoceroyl - C26:0 dihexacosanoyl tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CCCCCC CCCCCC, alname=DXPC, charge=0.0
;@RESNTEST DXP==DXPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A C2A C3A C4A C5A C6A C1B C2B C3B C4B C5B C6B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-C2A C2A-C3A C3A-C4A C4A-C5A C5A-C6A GL2-C1B C1B-C2B C2B-C3B C3B-C4B C4B-C5B C5B-C6B
;
[moleculetype]
; molname nrexcl
DXPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DXPC NC3 1 1.0
2 Qa 1 DXPC PO4 2 -1.0
3 Na 1 DXPC GL1 3 0
4 Na 1 DXPC GL2 4 0
5 C1 1 DXPC C1A 5 0
6 C1 1 DXPC C2A 6 0
7 C1 1 DXPC C3A 7 0
8 C1 1 DXPC C4A 8 0
9 C1 1 DXPC C5A 9 0
10 C1 1 DXPC C6A 10 0
11 C1 1 DXPC C1B 11 0
12 C1 1 DXPC C2B 12 0
13 C1 1 DXPC C3B 13 0
14 C1 1 DXPC C4B 14 0
15 C1 1 DXPC C5B 15 0
16 C1 1 DXPC C6B 16 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
7 8 1 0.47 1250
8 9 1 0.47 1250
9 10 1 0.47 1250
4 11 1 0.47 1250
11 12 1 0.47 1250
12 13 1 0.47 1250
13 14 1 0.47 1250
14 15 1 0.47 1250
15 16 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0
5 6 7 2 180.0 25.0
6 7 8 2 180.0 25.0
7 8 9 2 180.0 25.0
8 9 10 2 180.0 25.0
4 11 12 2 180.0 25.0
11 12 13 2 180.0 25.0
12 13 14 2 180.0 25.0
13 14 15 2 180.0 25.0
14 15 16 2 180.0 25.0
;;;;;; Martini lipid topology for di-C12:1-C14:1 PC (DYPC), generated using:
; The Martini lipid itp generator version 0.4 Args are: -o martini_v2.0_DYPC_01.itp -alname DYPC -alhead 'C P' -allink 'G G' -altail 'CDC CDC'
; WARNING: Lipids topology was generated following the Martini 2.0 guidelines but this specific lipid type might
; not have been tested and should therefore be used with care.
;
; Description:
; A general model phosphatidylcholine (PC) lipid corresponding to atomistic e.g. C12:1, C14:1(9c) dimyristoleoyl tails.
; Parameterization:
; This topology follows the standard Martini 2.0 lipid definitions and building block rules.
; Reference(s):
; S.J. Marrink, A.H. de Vries, A.E. Mark. Coarse grained model for semi-quantitative lipid simulations. JPC-B, 108:750-760,
; 2004. doi:10.1021/jp036508g
; S.J. Marrink, H.J. Risselada, S. Yefimov, D.P. Tieleman, A.H. de Vries. The MARTINI force field: coarse grained model for
; biomolecular simulations. JPC-B, 111:7812-7824, 2007. doi:10.1021/jp071097f
; T.A. Wassenaar, H.I. Ingolfsson, R.A. Bockmann, D.P. Tieleman, S.J. Marrink. Computational lipidomics with insane: a versatile
; tool for generating custom membranes for molecular simulations. JCTC, 150410125128004, 2015. doi:10.1021/acs.jctc.5b00209
; Created: 2015.04.20
;
;@INSANE alhead=C P, allink=G G, altail=CDC CDC, alname=DYPC, charge=0.0
;@RESNTEST DYP==DYPC if: atoms[0]==NC3
;@BEADS NC3 PO4 GL1 GL2 C1A D2A C3A C1B D2B C3B
;@BONDS NC3-PO4 PO4-GL1 GL1-GL2 GL1-C1A C1A-D2A D2A-C3A GL2-C1B C1B-D2B D2B-C3B
;
[moleculetype]
; molname nrexcl
DYPC 1
[atoms]
; id type resnr residu atom cgnr charge
1 Q0 1 DYPC NC3 1 1.0
2 Qa 1 DYPC PO4 2 -1.0
3 Na 1 DYPC GL1 3 0
4 Na 1 DYPC GL2 4 0
5 C1 1 DYPC C1A 5 0
6 C3 1 DYPC D2A 6 0
7 C1 1 DYPC C3A 7 0
8 C1 1 DYPC C1B 8 0
9 C3 1 DYPC D2B 9 0
10 C1 1 DYPC C3B 10 0
[bonds]
; i j funct length force.c.
1 2 1 0.47 1250
2 3 1 0.47 1250
3 4 1 0.37 1250
3 5 1 0.47 1250
5 6 1 0.47 1250
6 7 1 0.47 1250
4 8 1 0.47 1250
8 9 1 0.47 1250
9 10 1 0.47 1250
[angles]
; i j k funct angle force.c.
2 3 4 2 120.0 25.0
2 3 5 2 180.0 25.0
3 5 6 2 180.0 25.0