Huey Ling Tan wrote:
The reason I want to do this is to compare the energy of both the
peptide chains to find out whether they has reached equilibrium or not
(it should be not much different between them as they are identical
peptide chains). Therefore, I think by comparing the total energy for
each of the peptide chain will do.. is that right?
No, that won't tell you whether they're equilibrated. Two balls rolling
down the same hillside have the same energy and they're not in equilibrium.
Mark
_______________________________________________
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