sbhakat

For example I don't need range. I just want absolute values of three atoms. So if my atom numbering in .pdb file starts goes like 5, 8,10 should it be...

Hi Team Loos, Currently Plumed supports calling analysis packages such as MDAnalysis or MDtraj to design collective variables. One can call MDAnalysis as follows: ``` MOLINFO STRUCTURE=helix.pdb PYTHON_BIN=python g1: GROUP...