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?
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?