Re: About Langevin Dynamics.

From: Boyang Wang (pkuwangboyang_at_yahoo.com.cn)
Date: Thu Mar 02 2006 - 11:30:46 CST

Thanks Jerome. I now see. I guess that I wasn't that careful to see the 1/ps as 1(ps)^-1. I thought 1/ps meant 1 ps.
   
  Boyang
  Boyang,

The damping parameter in NAMD has the unit ps^-1 or inverse picosecond, as you
suspected. Did you read otherwise in some documentation?

Jerome

Le Mercredi 1 Mars 2006 19:20, vous avez crit?
> Hi Jerome and all,
>
> I found your previous email. That is really helpful. But my question is:
>
> The Gamma in Langevin equation should have a unit of (s)^-1, as
> "mass*gamma*v" has the unit of force.
>
> But in NAMD configuration files, the Langevin damping coefficient has a
> unit of (s) or (ps), which puzzles me. I thought this Langevin damping
> coefficient was the reciprocal of the "gamma" in the Langevin equation.
>
> Thanks for all your time.
>
> Boyang.
>
>
>

Boyang Wang,
Email - bwang9_at_uic.edu
Major - Phys. Chem.
dept Chemistry,
Univ Illinois, Chicago,
60607 IL US.
                
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