Re: affecting the atom velocities

From: Luca Muccioli (luca_at_ms.fci.unibo.it)
Date: Fri Jun 15 2007 - 04:02:01 CDT

On Fri, 15 Jun 2007, Philipp Schoen1 wrote:

>
> dear users
> is it possible to affect the atom velocities during a namd run?
> cheers
> philipp
>
yes, look at the command tCoupleFile in temperature coupling parameters

http://www.ks.uiuc.edu/Research/namd/2.6/ug/node30.htm

cheers

Luca

-------------------------------------------

Luca Muccioli, Ph. D.
Dipartimento di Chimica Fisica e Inorganica
Universita` di Bologna
Via Risorgimento 4
40136 Bologna (Italia)

E-mail: luca_at_fci.unibo.it
Phone: +39-051-6446992
Fax: +39-051-2093690
Web: http://www2.fci.unibo.it/~luca/

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