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The headers of the original system.top file are ignored and then just simply changed to #include "martini.itp". I think insane.py should respect the prevopis original header or preprocessing options, for example including different martini specifications files or specifying custom system itp files.
The text was updated successfully, but these errors were encountered:
When dealing with the
insane.py
script I noticed that when solvating a CG protein withThe headers of the original
system.top
file are ignored and then just simply changed to#include "martini.itp"
. I thinkinsane.py
should respect the prevopis original header or preprocessing options, for example including different martini specifications files or specifying custom system itp files.The text was updated successfully, but these errors were encountered: