That's great. Usually is 30%, of course also depends on how often you let exchange.
Best regards Yuguang Dr. Yuguang Mu Assistant Professor School of Biological Sciences Nanyang Technological University 60 Nanyang Drive Singapore 637551 Tel: +65-63162885 Fax: +65-67913856 http://genome.sbs.ntu.edu.sg/Staff/YGMu/index.php -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Carsten Baldauf Sent: Tuesday, July 10, 2007 5:43 PM To: Discussion list for GROMACS users Subject: [gmx-users] Replica Exchange MD ... Exchange rates dear gromacs-users// what would you think are good exchange rates between the replicas in a REMD? something like this? Replica exchange statistics Repl 499 attempts, 250 odd, 249 even Repl average probabilities: Repl 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 Repl .40 .48 .53 .55 .54 .56 .53 .57 .55 .58 .57 .60 .63 .61 .60 Repl number of exchanges: Repl 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 Repl 101 133 131 136 137 142 125 147 142 137 141 151 168 152 153 Repl average number of exchanges: Repl 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 Repl .40 .53 .52 .55 .55 .57 .50 .59 .57 .55 .56 .61 .67 .61 .61 or lower? thanks in advance// carsten _______________________________________________ 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 _______________________________________________ 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