[gmx-users] Extracting energy components

Huafeng Xu huafeng at maxwell.compbio.ucsf.edu
Sat Mar 12 23:18:12 CET 2005

I have carried out an explicit solvent simulation in Gromacs, and I hope 
to extract the energy of interactions between a specific atom and 
the solvents. What is the easiest way?

I tried g_enemat, which seemed to provide the functionality I need. But I 
could not figure out how to specify the groups.

Please help.


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