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
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 listgmx-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