[gmx-users] interaction energy
kapoorpratibha7 at gmail.com
Sun Mar 30 18:04:26 CEST 2014
Thank you Justin for your reply.
When I include MainChain+H Sidechain LIG as my energygrps in *.mdp file
(This is what I understand from specifying them as separate groups, please
correct me if I am wrong) , I am getting following error:
atoms 18 and 19 in charge group 7 of molecule type 'Protein_A' are in
different energy groups
How to rectify it?
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