[gmx-users] Groups in mdp file

Sai Pooja saipooja at gmail.com
Fri Apr 1 04:30:50 CEST 2011


This is regarding the energygroups that one can use in the mdp file for
tracking energy. Are these the groups defined in the index file?

I want to know if I can define a subset of atoms in the index file and track
its energy.


Quaerendo Invenietis-Seek and you shall discover.
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