[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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