有盼 缪 wrote: > Dear all， > > How should I use GROMACS to get the binding free energy of a > ligand--protein complex? > and what the binding free energy may be, absolute binding free energy or > relative binding free energy? > The last question is :When I finished the molecular dynamics simulation > with GROMACS, how can I get the absolute binding free energy? > Check the wiki for tutorials.
> Waiting for your help, > Thank you very much! > > youpan > > > ------------------------------------------------------------------------ > 好玩贺卡等你发，邮箱贺卡全新上线！ > <http://cn.rd.yahoo.com/mail_cn/tagline/card/*http://card.mail.cn.yahoo.com/> > > > > ------------------------------------------------------------------------ > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- David van der Spoel, Ph.D., Professor of Biology Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755. [email protected] [email protected] http://folding.bmc.uu.se _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
