Hi, Have a look at
http://wiki.gromacs.org/index.php/Parameterization and http://wiki.gromacs.org/index.php/Exotic_Species Next to that, also consider that you are talking about a site with -2 formal charge (ZnS4)2-. How likely is that? From QM studies, it seems much more likely that there are 1 or 2 protons associated with the cluster. If you manage to model that properly, let me know; I'd be interested in that. Cheers, Tsjerk On Tue, May 19, 2009 at 2:01 PM, Nehme El Hachem <n...@aub.edu.lb> wrote: > Hello, > > I have a DNA-Zinc finger complex. What are the suitable forcefields for that > type of complexes (the zinc ion is coordinated to 4 deprotonated cysteines)? > I need to do some molecular minimization and dynamics including the nucelic > acid sequence. > Looking for some help. > > Thank you. > > Nehme > > _______________________________________________ > gmx-users mailing list gmx-us...@gromacs.org > 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 thewww interface > or send it to gmx-users-requ...@gromacs.org. > 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 gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
