[gmx-users] OPLS and GROMOS forcefields
Vitaly V. Chaban
vvchaban at gmail.com
Sun Aug 23 16:25:24 CEST 2015
Ionic systems exhibit quite a few differences from molecular liquids.
Usage of GROMOS or OPLS force fields will bring significant inaccuracies.
Search for the force fields for ionic liquids. E.g. look for numerous
developments coming from my group.
On Fri, Aug 21, 2015 at 6:08 PM, Stella Nickerson
<stella.nickerson at gmail.com> wrote:
> I'm simulating a polymer dissolved with an ionic liquid. Would it be
> possible to use the OPLS forcefield for the solvent and the GROMOS
> forcefield for the particle, or would that result be inherently meaningless?
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