n
Lemkul
Sent: Wednesday, 6 April, 2016 5:59 PM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] mdrun -rerun to obtain the non-bond interaction energy
among energy groups
On 4/6/16 2:38 AM, Dai Ling (IHPC) wrote:
> I defined energy groups in .mdp file at the very beginning. Then after 1st
> m
I defined energy groups in .mdp file at the very beginning. Then after 1st
mdrun, I did create a new .tpr file with everything the same & rerun. But it
didn't output correctly, any suggestions?
-Original Message-
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
[mailto:gromacs.o
Dear gmx-user:
I want to plot the non-bond interaction energy between energy-groups. With
reading from the history of this mailing-list, I need to use "rerun" to obtain
these values. Since I have set all the energy groups in .mdp file initially. So
that, after the first mdrun, I just use the sa
