[gmx-users] trjconv -conect
vijaya65 at hotmail.com
Sun May 27 23:03:52 CEST 2012
one conect record for all models?
Date: Sun, 27 May 2012 20:24:59 +0200
Subject: Re: [gmx-users] trjconv -conect
From: tsjerkw at gmail.com
To: jalemkul at vt.edu; gmx-users at gromacs.org
Just copy the CONECT records from the reference pdb afterwards.
On May 27, 2012 7:42 PM, "Justin A. Lemkul" <jalemkul at vt.edu> wrote:
On 5/27/12 1:36 PM, vijaya subramanian wrote:
> I don't have a .tpr file for the cg system. I am anlayzing results from pca and
> the trajectorie...
Not without your own custom force field. No Gromacs force field is compatible with CA-only models. There are a few scripts on the User Contribution site that may be useful.
> > Date: Sun, 27 May 2012 12:12:14 -0400
> > From: jalemkul at vt.edu
> > To: gmx-users at gromacs.org...> > On 5/27/12 12:05 PM, vijaya subramanian wrote:
> > >
> > > Hi
> > > I am trying to add conec...
Justin A. Lemkul, Ph.D.
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