[gmx-users] Adding hydrogen

David van der Spoel spoel at xray.bmc.uu.se
Mon Jun 12 09:35:46 CEST 2006

Sheng Yong yang wrote:
> Hi, Dear Gromacs Users,
> Seems pdb2gmx just can add hydrogen to the main chain,
> not side chain (one can check the tutor demo file). I
> wonder whether it is not necessary to add hydrogen on
> the side chain in Gromacs or one has to add the side
> chain hydrogen by other software.
> I appreciate very much if someone can give me a hand.
> Richard Yang
depends on force field.

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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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