On 5/27/12 5:03 PM, vijaya subramanian wrote:
one conect record for all models?
You need the CONECT records for visualization, right? Or is there some other
purpose? In theory, if you have one .pdb file with CONECT records, you can load
your trajectory as data for it and the bonds should be preserved.
I'm also curious how you have a Gromacs .xtc file without having a .tpr file.
Did you not run the simulation and/or analysis with Gromacs?
-Justin
thanks-
--------------------------------------------------------------------------------
Date: Sun, 27 May 2012 20:24:59 +0200
Subject: Re: [gmx-users] trjconv -conect
From: tsje...@gmail.com
To: jalem...@vt.edu; gmx-users@gromacs.org
CC:
Hi Vijaya,
Just copy the CONECT records from the reference pdb afterwards.
Cheers,
Tsjerk
On May 27, 2012 7:42 PM, "Justin A. Lemkul" <jalem...@vt.edu
<mailto:jalem...@vt.edu>> wrote:
On 5/27/12 1:36 PM, vijaya subramanian wrote:
Hi> 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.
-Justin
> > Date: Sun, 27 May 2012 12:12:14 -0400 > > From: jalem...@vt.edu
<mailto:jalem...@vt.edu> > > To: gmx-users@gromacs.org...
> > On 5/27/12 12:05 PM, vijaya subramanian wrote: > > > > > > Hi > > >
I am trying to add conec...
-- ======================================== Justin A. Lemkul, Ph.D. Research
Scientist Departmen...
-- gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't
post (un)subscribe requests to the list. Use the www interface or send it to
gmx-users-requ...@gromacs.org. Can't post? Read
http://www.gromacs.org/Support/Mailing_Lists
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
