Hi, I believe oplsaa itp for methanol comes with gromacs5.1. Alternatively you can download parameters from virtual chemistry.org
Best, CP On Dec 3, 2015 3:02 PM, "Daniele Veclani" <danielevecl...@gmail.com> wrote: > Dear all. > > I want to study a molecule using methanol as solvent. > > I have some problem to understanding which geometry of methanol is used by > the OPLS- all atom force field (JACS, 1996, 118, 11225). In the paper > published on JACS in 1996 there are no details on the geometries of the > models they are parametrizing. > Moreover, do you know if I can find somewhere the topology file for this > methanol model (from the download topologies page I've downloaded the > topology but there are no geometric parameters like distances, angles and > diedrals.) > > Thank you in advance > > D.V. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.