AMBER Archive (2006)

Subject: AMBER: Temperature fluctuation with Langevin Temperature control

From: Gobind Singh Bisht (
Date: Sun Aug 27 2006 - 14:06:49 CDT

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

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