[gmx-users] interaction energy

[pratibha]

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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