[gmx-users] Dihedral restraints
David van der Spoel
spoel at xray.bmc.uu.se
Wed Feb 18 17:10:01 CET 2004
On Wed, 18 Feb 2004, Pratul K. Agarwal wrote:
>Is there a way to restraint a proper dihedral angle during
>minimization and MD simulation?
>Archives of the mailing list indicate that this issue was
>discussed in Sept. 2002 and at that point of time such an
>option did not exist. I was wondering if things have changed
It's in 3.2
Don't know how to activatie it, probably another dihedral type.
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David van der Spoel, PhD, Assist. 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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