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. -- ======================================================================= 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 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
