[gmx-users] Reg g_energy tool
vidhya sankar
scvsankar_agr at yahoo.com
Mon Mar 30 15:43:10 CEST 2015
Thank you justin for your kind reply.
As you told me in previous mail , the g_energy tool is enough to calculate interacton energy (such as Coulombic and Vandeewaal's interaction , LJ interaction ) between groups
but How to choose two groups simulataneously in command prompt
for example if i want to calculate LJ-(SR) interaction energy between CNT and peptide1
How to choose these two groups.
already I set
energygrps = CNT peptide1 petide2 in mdp file
thanks in advance
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