[gmx-users] dynamics with toluene as solvent
Eva Santos
esantos at ICIQ.ES
Fri Sep 21 09:58:56 CEST 2007
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
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