Hi Subarna, There is no .dat format for topologies. It may be named .dat, but the inside (format) is what matters. If you're confident it is gromos96 format, you can #include it the same way as other molecule definition topology files. Do mind that there's quite a difference between GROMOS96 43a1, 43a2, 45a3, 53a5 and 53a6...
Cheers, Tsjerk On Tue, Nov 10, 2009 at 8:30 AM, subarna thakur <thakur.suba...@yahoo.co.in> wrote: > Hello > I have a gromos96 topology file for a ligand and it is in xx.dat format.How > do I include this file in my gromacs version 4.0 simulation of a protein? > > Subarna > > ________________________________ > The INTERNET now has a personality. YOURS! See your Yahoo! Homepage. > -- > gmx-users mailing list gmx-us...@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. Computational Chemist Medicinal Chemist Neuropharmacologist -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
