Well use a regular plotting software and look at it or do some more elaborated operation in or out the software to estimate the overlap :))
On May 17, 2013, at 1:14 PM, bharat gupta <bharat.85.m...@gmail.com> wrote: > Dear Sir, > > I ran the REMD simulation with temp. distribution discussed in my last > thread. Each replica was run for 50 ns > > Replica exchange statistics > Repl 24999 attempts, 12500 odd, 12499 even > Repl average probabilities: > Repl 0 1 2 3 4 5 6 7 8 9 10 11 12 > Repl .22 .19 .18 .16 .19 .21 .23 .25 .26 .29 .28 .28 > Repl number of exchanges: > Repl 0 1 2 3 4 5 6 7 8 9 10 11 12 > Repl 2661 2369 2296 2008 2360 2668 2866 3119 3234 3549 3469 3475 > Repl average number of exchanges: > Repl 0 1 2 3 4 5 6 7 8 9 10 11 12 > Repl .21 .19 .18 .16 .19 .21 .23 .25 .26 .28 .28 .28 > > Now, how to find the potential energy overlap for each replica??.. I have > obtained the pot. energy for each replica separately.. > > -- > Bharat > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
