[gmx-users] prodrg
Yuhua Song
yhsong at ccb.wustl.edu
Wed Jan 14 03:38:01 CET 2004
The topology file generated from PRODRG is the united atom forcefield. I
am using gromacs forcefield for the work, I am wondering whether the
Gromacs forcefield for the biomembrane are also united atom force field.
Thank you in advance.
Yuhua
On Wed, 2004-01-07 at 15:40, David wrote:
> On Wed, 2004-01-07 at 23:28, Osmany Guirola Cruz wrote:
> > i use the PRODRG server for obtain the gromacs files for my LPS an it
> > give a zipped files. with
> > DRGFIN.GRO and DRGGMX.ITP how i use these files to do my em , pr, md
> > simulations the grompp day that topol.top does not exist and is logic
> > what should i do whith the itp file
> >
> >
> chapter 5 in the manual describes it. also the tutorial might be
> helpful...
>
> > _______________________________________________
> > gmx-users mailing list
> > gmx-users at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-users
> > Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
--
------------------------------------
Yuhua Song, Ph. D.
Center for Computational Biology
Washington University in St. Louis, School of Medicine
700 S. Euclid Ave., Campus Box 8036
St. Louis, MO 63110
Tel: 314-3622017
Fax: 314-3620234
E-mail: yhsong at ccb.wustl.edu
More information about the gromacs.org_gmx-users
mailing list