[gmx-users] A question about OPLS force field

Erik Lindahl lindahl at sbc.su.se
Mon Jan 10 14:59:27 CET 2005


AA means all-atom, UA united-atom.

The most recent version is OPLS-AA/L, for which a lot of sidechain 
torsions were modified compared to the vanilla -AA.

There have been about half a dozen minor revisions/changes to the 
all-atom parameters since the first version in 1996; check out the 
references listed in share/top/ffoplsaa.itp for details.

Cheers,

Erik


On Jan 10, 2005, at 2:34 PM, zjim wrote:

> Hi all
>
> Can somebody tell me the difference between opls-aa/L and opls-aa or 
> opls-ua?Does they differ only in the parameters or some others.
>
> thank you in advance
>
>
> zhjm
>
>
>
>
>
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