Re: ERROR: Atoms moving too fast with RBCG model

From: Jeffrey Potoff (jpotoff_at_chem1.eng.wayne.edu)
Date: Wed Nov 24 2010 - 15:21:48 CST

Sometimes you need to run a few thousand steps with a small timestep
(0.1-0.5 fs) to get your system settled down before you can use a 2 fs
timestep.

Regards,
     Jeff

On 11/24/2010 11:00 AM, wenchangyu2006_at_gmail.com wrote:
> ght after namd finished startup and going to run, the error of "Atoms
> moving too fast" appeared.
>
> I checked the possible reasons according to the page
> http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdTroubleshooting and
>
> also some information online. .pdb and .psf file are looking good and
> there is no long bond. Boundary condition is also ok. Then I've no
> idea what I still have to check to solve this annoying problem. Could
> somebody help me out? Thanks a lot.
>

-- 
======================================================================
Jeffrey J. Potoff			  jpotoff_at_chem1.eng.wayne.edu
Associate Professor			  Wayne State University		
Department of Chemical Engineering and Materials Science
5050 Anthony Wayne Dr			  Phone:(313)577-9357		
Detroit, MI 48202  	                  Fax:  (313)578-5815
http://potoff1.eng.wayne.edu
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