[gmx-users] Methanol geometry parameters
danieleveclani at gmail.com
Thu Dec 3 10:32:08 CET 2015
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
Thank you in advance
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