[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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