[gmx-users] problems with opls_

[hhhh huan]

i checked it but the what is the atomtype for opls_064
for?
thanks
--- David van der Spoel <spoel at xray.bmc.uu.se> wrote:

> hhhh huan wrote:
> > i am a new user of Gromacs and i would like to
> knoe
> > the opls for C, =O, and -O in  RCOOR'. i tried it
> many
> > times but i still fail to get the proper answer..
> > thanks
> if you mean the atomtypes
> check ffoplsaa.atp
> 
> > 
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> -- 
> David.
>
________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular
> Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala
> University.
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org  
> http://folding.bmc.uu.se
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