[gmx-users] potential energy of a peptide in explicit DMSO

Xiaoming Zhang smash04 at gmail.com
Tue Jul 26 03:06:54 CEST 2005

Dear users,

I am running the MD simulation of a cyclic peptide in explicit DMSO. 
It is straightforward to retrieve the potential energy of the whole
system (peptide + DMSO) using g_energy.  However, I didn't find a way
to calculate/retrieve the potential energy for the peptide only.  I
was wondering if any of you had the experience and knew how to deal
with it.

Thanks a lot

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