Characteristic time of atomic vibrations and collisions?

From: Yinglong Miao (yimiao_at_indiana.edu)
Date: Mon Jan 14 2008 - 16:16:11 CST

Dear NAMD users,

Here I have a quite fundamental question generally for MD. 1fs is the
typical MD timestep we have been using for MD simulations. But as I
searched for information about characteristic time of atomic vibrations
and collisions, I found 10^12 for the atomic vibration frequency on one
of the websites. This should indicate the characteristic time as
10^(-12) s, which is 10^3 times larger than our MD timestep. It's right
that the MD timestep needs to be smaller than the fastest vibrational
frequency in the system, but how can this gap be so big? Or the number
I found is not correct in some sense?

Thanks,
Long

--
Yinglong Miao
Ph.D. Candidate
Center for Cell and Virus Theory
Chemistry Department, Indiana University
800 E Kirkwood Ave Room C203A, Bloomington, IN 47405
Tel: 1-812-856-0981

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