Hi Gurpreet, Try pdb2gmx -h
There's a number of options for choosing these things interactively. The one you want is -asp (pdb2gmx -asp). It's worthwhile reading the manual/manpages to see what the programs can do, and what options they have... Cheers, Tsjerk On 8/22/07, gurpreet singh <[EMAIL PROTECTED]> wrote: > > Helllo users > It seams that gromacs can only take Aspartate not aspartic acid. Is it > true? > If no than what is the way to do that > I am using the G43a1 force field during pdb2gmx > > > > > Thanks & Regards > Gurpreet > > _______________________________________________ > 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 [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 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
