I think you can use The Dundee PRODRG sever to generate toluene structure and topology for gromacs, but use it with care.
On 9/21/07, Eva Santos <[EMAIL PROTECTED]> wrote: > > > Hello everyone, > > I need to do some molecular dynamics, using gromos96 force field, with > toluene as solvent. > I have found an article which mentions the existence of an all-atom model > for this solvent parametrized under gromos96 ( J.Phys. Chem. B 2004, 108, > 11774-11781). However I have not managed to find the gromacs coordinate > files, the topology files, etc. to use it in gromacs. > Do they exist anywhere? > > > Regards, > > Eva > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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