[gmx-users] All-atom alternative to PRODRG

Ing. Vojtěch Spiwok Vojtech.Spiwok at vscht.cz
Tue Jul 1 12:15:02 CEST 2003

Dear GMX users/developers

Do you know some program, that could generate
small-molecule topologies like a PRODRG but with
that diference that such topologies are compatibile
with Gromacs ALL-ATOM or OPLS force field? I
would like to simulate MD of class of drug-enzyme
complexes that are reasonable only with all-atom

Vojtech Spiwok
ICT Prague

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