[gmx-users] All-atom alternative to PRODRG

[Ing. Vojtěch Spiwok]

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
approach.

Sincerely
Vojtech Spiwok
ICT Prague