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.
________________________________________________________________________
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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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