You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Hello,
I am trying to run the Tutorial from run_vesicle.sh with the file you provide, but I had an error in the line of gen_posres_vesicle.py. /home/python3.10/site-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: D warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) /home/python3.10/site-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: G warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type))
And the tail_posres.gro is not created. Could you please help me? There is another way to create the positions restrictions with the gmx make_ndx of GROMACS?
The text was updated successfully, but these errors were encountered:
yajairazepeda
changed the title
Fail gen_posres_vesicle.py
Issue with gen_posres_vesicle.py
Mar 7, 2024
Hello,
I am trying to run the Tutorial from run_vesicle.sh with the file you provide, but I had an error in the line of gen_posres_vesicle.py.
/home/python3.10/site-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: D warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) /home/python3.10/site-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: G warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type))
And the tail_posres.gro is not created. Could you please help me? There is another way to create the positions restrictions with the gmx make_ndx of GROMACS?
The text was updated successfully, but these errors were encountered: