[gmx-users] Re:Regarding D-Alanine paramters

David van der Spoel spoel at xray.bmc.uu.se
Thu Jul 12 14:04:52 CEST 2007

naga raju wrote:
> Dear gmx users,
>                 Dear Dr.Mark and Dr.David thank you
> for your suggestion. I would like to use OPLS_AA force
> field to my protein.
then you only need to get a correct starting structure.
Once more, check chapter five and your topology at the appropriate place.
>                              with best regards,
>                                Nagaraju.
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David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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