[gmx-users] Partial Energy from Traj
mark.j.abraham at gmail.com
Wed Apr 1 19:00:45 CEST 2015
You can use trjconv to get that subset from your trajectory, match it to a
.tpr and then use the ideas at
On Wed, Apr 1, 2015 at 6:08 PM, xy21hb <xy21hb at 163.com> wrote:
> Dear all,
> I have a simple protein-in-water binary system.
> I wonder how I can have the absolute energy of water extracted from the
> though I understand the number may be arbitrary.
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