[gmx-users] Writing PDB file so that protonation state of HIS is explicit by name

Dawid das addiw7 at googlemail.com
Mon Apr 23 17:15:41 CEST 2018

Dear All,

Is it possible to create PDB file from XTC so that naming of histidine
is HSE, HSD, HSP instead of HIS?

Best wishes,
Dawid Grabarek

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