[gmx-users] how to calculate prot-ligand interaction energy

Rajaram V rajaram1005 at yahoo.com
Wed Aug 2 11:09:03 CEST 2006

Hi, I have recently run a MD in gromacs 3.3.1. I would like to calculate the interaction energy between protein and the ligand which i have used. If I use the options LJ-SR or LJ-LR the program is considering it as LJ-14 and giving the same result. 
 Many thanks in advance.


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