[gmx-users] Organic Molecules

Daan van Aalten vdava at davapc1.bioch.dundee.ac.uk
Tue Sep 14 10:11:19 CEST 2004

Hi Amy

As long as you are happy with using the standard ffgmx force field, you
can use
PRODRG (http://davapc1.bioch.dundee.ac.uk/prodrg) to generate topologies
for small molecules


On Mon, 13 Sep 2004, Amy Petrik wrote:

> Hi All!
> It seems to me that some of you are using gromacs to model polymers. I would like to do this also with small PEO molecules. However Gromacs gives me errors in writing the gro file. Should I be using a different force field? How do I get one and put it into gromacs?
> Thanks in advance!
> Amy
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