[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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