Re: Re: [gmx-users] A question about OPLS force field

[zjim]

Thank Erik very much
is that also to say they are different versions and the opls-aa/L is the latest one.

zhoujm



> 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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