[gmx-users] parameters of ligand for force field OPLS

andrea andrea.spitaleri at iit.it
Thu Feb 20 23:05:36 CET 2014

Also, have look to here:




On 20/02/2014 22:30, Mahboobeh Eslami wrote:
> hi GMX users
> can i use acpype program for ligand preparation in simulation by gromacs?
> how can i produce the parameters of ligand for force field OPLS?
> thanks a lot

Andrea Spitaleri PhD
D3 - Drug Discovery & Development
Istituto Italiano di Tecnologia
Via Morego, 30 16163 Genova
cell: +39 3485188790
ORCID: http://orcid.org/0000-0003-3012-3557

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