[gmx-users] problems with opls_

David van der Spoel spoel at xray.bmc.uu.se
Thu Oct 25 21:49:58 CEST 2007

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 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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