Rui Li, That's part of your homework. Checking the literature on similar systems and do background reading on MD and force fields.
Also read http://catb.org/~esr/faqs/smart-questions.html or http://www.lat30n.cn/doc/oss/smart-questions.html and http://wiki.gromacs.org/index.php/Parameterization Cheers, Tsjerk On 1/24/08, Rui Li <[EMAIL PROTECTED]> wrote: > Dear all, > I want to ran a simulation of an enzyme with inhibitor > Which forcefield in Gromacs should I use? > > > _______________________________________________ > 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 > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ 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
