From: Mikhail Suyetin (msuyetin_at_gmail.com)
Date: Thu Jul 23 2009 - 09:48:54 CDT
Hi all.
I'am developing biological system and I need to keep T=309,75 (36.6
degrees centigrade) strongly.
The question is may I set RescaleFreq of temperature =1? (below sample
of .namd file)
-------------
rescaleFreq 1
rescaleTemp $temp
-------------
I clearly understand that I'll get neither NVE nor NVT ensemble. Can
anybody interpret essense of such processes?
-- Sincerely yours, Mikhail Suyetin
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