Date: Mon, 27 Apr 2015 20:30:45 +0800 (CST)
Dear all,
When I run a T-REMD simulation using AMBER14, I get a file called "rem.log". But I don't understand how is the "success rate (i,i+1)" in the file "rem.log" calculated.
After I refer to the p370 of the AMBER14 Reference Manual, it gives
"
Success rates are calculated as # successes/#tries กม 2, where the factor of 2 is used
because each pair of neighboring replicas attempts to exchange every other exchange attempt.
In the beginning of the log file, this may lead to unusual success rates,but after a large number of exchange attempts the values will normalize.
"
What do the "# successes" and "#tries" mean respectively? How can I calculate the "# successes" and "#tries" in the each exchange ?
Please help me in this regard in brief.
Thank you very much !
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Pengfei Li
Email:lipengfei_mail.126.com
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