[gmx-users] Re: Where is the GROMOS87 force field when using pdb2gmx
hkhandelia at gmail.com
Thu Nov 8 13:41:57 CET 2007
Or if can use GROMOS87 for the protein and the Berger for the lipids, correct ?
On Nov 8, 2007 12:49 PM, Erik Lindahl <lindahl at cbr.su.se> wrote:
> On Nov 7, 2007, at 5:40 PM, maria goranovic wrote:
> > Thanks for the help, David. Actually, I just realized I was trying to
> > decide based on mailing list archives which, in some cases, are 5
> > years old. My mistake. I will use the 43a2 field for my protein.
> > Is there any standard procedure to combine 43a2 with the berger force
> > field (ffgmx) for lipids ?
> Don't do it. The berger force field is mostly derived from OPLS, so
> you will (again) find it much easier to defend your choices if you mix
> it with OPLS-AA/L instead.
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