Hi,
I have applied distance restraints on my system during MD simulation through
following options:
"disre = simple" and disre_fc = 2000 in .mdp file.
Now i wish to see the energy term corresponding to these restraints in
principle to be written in .edr file. But g_energy programme does not list any
term corresponding to these restraints.
I have following 2 questions:
1. How one should ensure that the restraints are applied correctly ?
2. How should I check the corresponding energy ?
Plz help ASAP
Regards,
Nikhil
Your Mail works best with the New Yahoo Optimized IE8. Get it NOW!
http://downloads.yahoo.com/in/internetexplorer/
--
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