Jin Hee wrote: > > > Dear all, > > > > I want to run SO3- form that is oxidation of cys in protein (SH --> SO3-). > It probably is SO3 2- or HSO3- (note that crystallography does not detect hydrogens). You will have to search the literature for this one...
> When I used pdb2gmx, SO3-'s atom type didn't define. > > Please, does anyone have experince with SO3- and can point me to > reasonable parameter. > > > > thanks for any comment > > Jin Hee > > > > > > > > > <mailto:[email protected]> > > [한메일 Express]메일목록과 미리보기를 동시에! > <http://allim.daum.net/servlet/Redirect?sid=footer_090223_ex> > > <http://daumdirect.daum.net/websales/main/event/20080516_woori_event.jsp?_partner_code.key=9100009> > > > ------------------------------------------------------------------------ > > _______________________________________________ > 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
