[gmx-users] Writing PDB file so that protonation state of HIS is explicit by name
addiw7 at googlemail.com
Mon Apr 23 17:15:41 CEST 2018
Is it possible to create PDB file from XTC so that naming of histidine
is HSE, HSD, HSP instead of HIS?
More information about the gromacs.org_gmx-users