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.
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
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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
E-mail: yhsong at ccb.wustl.edu
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