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.
