[gmx-users] Output per-group kinetic energy

Anthony Costa anthony.costa at gmail.com
Tue Sep 14 23:54:11 CEST 2010

Dear All,

I want to do something very simple: output, say, the kinetic energies
for a subset of my system. For example some energy group of my system.
Is this possible? Creating an index file, and listing each group as an
energy group in my mdp file doesn't get this data into the energy
file, only all the LJ, SR, etc., interactions are listed for each pair
of groups.


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