From: Tim Isgro (timisgro_at_ks.uiuc.edu)
Date: Tue May 11 2004 - 00:31:18 CDT
The 'Atoms moving too fast' problem is a tough one to diagnose without
knowing more about the system. Usually, some overcrowding causes one atom
to be repelled away at high velocity, but the cause for the overcrowding
can be due to several things. Can you explain the details of your
On Mon, 10 May 2004, J. Rui Rodrigues wrote:
> I had this error once when reading coordinates instead of velocities :-)
> Are you really reading the restart.vel file for velocities (or
> Rui Rodrigues
> "Marcela P.Aliste" <marcela.aliste_at_biology.gatech.edu> escreveu:
> > Hi
> > I need to restart one of my simulations.
> > I included all the restart files in the namd configuration files.
> > I got the following error message when i tried to restart the simulation
> > The temperature is 300K and it used t-couple options.
> > ENERGY: 2016000 2503.6340 7428.0714 3859.4624 404.6930
> > -601708.5679 57080.6286 0.0000 0.0000 104104.3550
> > -426327.7234 296.1505 20328.1577 1073.2725 1837390.6460
> > 20328.1577 1073.2725
> > ERROR: Atom 1196 velocity is -253.714 -3095.27 -5952.82 (limit is 5000)
> > ERROR: Atoms moving too fast; simulation has become unstable.
> > Any suggestion how can i fix this problem?
> > Thanks
> > Marcela Alsite
> J. Rui Rodrigues
> Departamento de Química
> Faculdade de Ciências e Tecnologia
> Universidade de Coimbra
> 3004-535 Coimbra
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