Dear amber users,
I'm trying to run my simulations at a constant
temprature using the Lamgevin temperature control. But there are large
temprature fluctuations (rms 4K). Since I am simulating a small piece of DNA
(42 bp) with implicit solvation I'm equillibrating for only 20ps (with delta
T= 4K). Could that be the reason for the temp fluctuation? Why is there a
temp fluctuation at all when i specify a target temp. Can someone explain
me. sry but i'm new to MD and AMBER.
thanx in advance
--
Gobind Singh Bisht
Btech(Hons) III year
Department Of Biotechnology
IIT Kharagpur, Kharagpur-721302
West Bengal, India
Ph No: +919932604909
Website: http://users.cjb.net/gobindbisht/
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Received on Wed Aug 30 2006 - 06:07:06 PDT
