deGrootLab/pmx

IndexError: list index out of range

biotech70 opened this issue · 2 comments

Hi. during work with pmx get the below error, how can I resolve it?
error

Does the protein structure contain all atoms and are they in accord with the Gromacs atom naming?
I would suggest running the structure through "gmx pdb2gmx" before bringing it to pmx.

Thanks so much, the problem was solved using pdb2gmx.