[gmx-users] Problem in NVT equilibration

Balasubramanian Suriyanarayanan bsnsuri at gmail.com
Mon Jun 9 09:03:46 CEST 2014

Dear User
 I do a protein ligand simulation in a lipid environment.  When I do NVT
equilibration I get an error message saying "32 molecules are not part of
any coupling groups".

Do I need to change the .mdp file.

Please clarify.



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