Hi Rukmani Sridharan, It's not a matter of name. Gromacs is unlikely to have a topological description of the molecule and you have to provide that. See
http://oldwiki.gromacs.org/index.php/Parameterization Cheers, Tsjerk On Mon, Jul 6, 2009 at 6:06 AM, Rukmani Sridharan<[email protected]> wrote: > Hi, > I am a bit new to gromacs and am familiarizing myself with the various > commands. I want to simulate an unusual molecule, with the formula C7H10. > The downloaded pdb file had the residue mname MON which gromacs does not > recognize. How should i name the residue? > > _______________________________________________ > gmx-users mailing list [email protected] > http://lists.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://lists.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
