[gmx-users] question
David van der Spoel
spoel at xray.bmc.uu.se
Sun Apr 27 10:30:05 CEST 2008
shahrbanoo karbalaee wrote:
>
> Dear
>
> I donot get your answer.I have a peptide with NH2 bond in C terminal.Can
> I run MD with gromacs generally ?.or It shall know that as modified
> residue.
> when I run it I have this error: I donot find c for 14 residue.(it is
> NH2 in c terminal).
chapter 5 in the manual. you have to edit rtp files depending on force
field.
>
> --
> sh-karbalaee
>
>
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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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