From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Wed Jan 23 2013 - 08:13:30 CST
Hi Thomas,
Does your cluster have an older version of NAMD installed?
If yes, try Alchemify on your PSF.
Jerome
----- Original Message -----
> Hello!
>
> > Additionally, as we work with computers and they produce errors,
> > try to
> > rebuild the psf. I'm using the amber ff and rarely some strange
> > behavior is
> > observed in my simulations.
>
> I did build a second .psf to give results equivalent to the first
> one,
> and that has atoms take off in strange directions, too. On my laptop
> both systems behave as expected, on our cluster they do not, you see
> atoms experience weird forces. This is a bug in NAMD.
>
> Thomas
>
>
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