[Pw_forum] (no subject)
Axel Kohlmeyer
akohlmey at cmm.chem.upenn.edu
Tue Jul 15 16:13:09 CEST 2008
On Tue, 15 Jul 2008, raheleh vaziri wrote:
RV> hello.
RV> I wanna relaxation calculations with constrains some angle and di
RV> hedral.please guide me.thanks.
how about reading the documentation? particularly
the discription of the input?
look for (hint, hint!) "constraints".
axel.
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Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
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