[gmx-users] Fw: Freeze and minimization
David
spoel at xray.bmc.uu.se
Tue Jul 26 19:37:25 CEST 2005
On Tue, 2005-07-26 at 19:18 +0200, Michal Kolinski wrote:
>
>
>
>
> Hi all.
>
> I have quick question: is there a way to
>
> freeze protein backbone during energy minimization using GROMACS?
>
have you tried the freeze group option? Not sure if it works.
> Thanks you in advance.
>
>
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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
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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