Hi,
Exchange acceptance is printed in the HREMD log, the very last column.
You can also use the 'remlog' analysis command from cpptraj to
calculate the exchange acceptance from 1 or more rem logs.
-Dan
On Thu, Dec 14, 2017 at 8:47 PM, Dr. MANAS MONDAL <manas.pku.edu.cn> wrote:
> Hi,
> Please let me help by giving me the information about how can I calculate the Exchange acceptance ratio from the output log file (rem.log) of the HREMD run. I am waiting for your response.
> Thanking you.
> Manas
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Fri Dec 15 2017 - 07:00:03 PST
