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?
Thanks. On 02/11/2007, Mark Abraham <[EMAIL PROTECTED]> wrote: > > Huey Ling Tan wrote: > > Hi all, > > > > I am simulating 2 peptide chains in a box. May I know is it possible > > to calculate energy profile of each of the peptide chains with time > steps? > > How will you define the energy of a peptide chain, and what will it tell > you? > > 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 > -- Best regards, Huey Ling
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