From: Massimiliano Porrini (M.Porrini_at_ed.ac.uk)
Date: Fri Jun 17 2011 - 08:47:48 CDT
Dear all,
Is there any way to have a look at the exchange ratios between replica
in a REMD simulation while
it is running?
I could notice that only at the end of the simulation NAMD outputs the
exchange ratios, but
I would like to check them "on the fly".
Thanks in advance.
Cheers,
MP
-- Dr Massimiliano Porrini Institute for Condensed Matter and Complex Systems School of Physics & Astronomy The University of Edinburgh James Clerk Maxwell Building The King's Buildings Mayfield Road Edinburgh EH9 3JZ Tel +44-(0)131-650-5229 E-mails : M.Porrini_at_ed.ac.uk mozz76_at_gmail.com maxp_at_iesl.forth.gr
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