[gmx-users] Generating Topology File

[Daan van Aalten]

Hi Ilya

You can ONLY use the ffgmx2 force field with the PRODRG topologies

cheers

Daan

On 8 Aug 2003, Ilya Chorny wrote:

> I have generated a topology file for the molecule I am interested in
> studying using PRODRG. How do I then specify which forcefield to use. I
> would like to use OPLS. The Molecule is CH3-(CH2)x-NH3+.
>
> Thanks
>
> Ilya
> --
> ----------------------------------------------------------------
> Ilya Chorny Ph.D.         Department of Pharmaceutical Chemistry
> Postdoctoral Researcher   University of California-San Francisco
> phone: (408)-887-8496     Genentech Hall 600 16th St Box 2240
> fax: (415)502-1411        San Francisco, Ca, 94107
>             email: ichorny at maxwell.ucsc.edu
> ----------------------------------------------------------------
>
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Dr. Daan van Aalten                    Wellcome Trust CDA Fellow
Wellcome Trust Biocentre, Dow Street   TEL: ++ 44 1382 344979
Div. of Biol.Chem. & Mol.Microbiology  FAX: ++ 44 1382 345764
School of Life Sciences                E-mail: dava at davapc1.bioch.dundee.ac.uk
Univ. of Dundee, Dundee DD1 5EH, UK    WWW: http://davapc1.bioch.dundee.ac.uk

        O     C           O     C         Visit the PRODRG server to take
        "     |           "     |         the stress out of your topologies!
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     |           "     |           "      http://davapc1.bioch.dundee.ac.uk/
     C-C-O       O   C-C-C         O             programs/prodrg/prodrg.html
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