Hi Swati, > Fatal error: > No such moleculetype Na > > But the atom type is present in ffamber03.rtp. I tried changing the atom > name to NA and Na+. But I still get similar error. Kindly help.
It doesn't complain about the atom type, but about the moleculetype. Did you #include "ions.itp"? That file contains the moleculetype definitions for a series of ions, including Na/NA/NA+. The naming depends on the force field. Cheers, Tsjerk -- 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
