[gmx-users] About g_enemat tool
vidhya sankar
scvsankar_agr at yahoo.com
Sun Mar 29 12:36:29 CEST 2015
Dear Justin Thank you for your previous reply
I want to calculate interaction energies (such as Coulombic and Vandeewaal's interaction , LJ interaction ) between groups CNT and Cyclic peptide for that I set
energygrps = CNT peptide1 petide2 in mdp file
When i extract energies using g_enemat (using groups.dat file) can i get energy of interaction between groups ?
Thanks in Advance
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