[gmx-users] Fatal error Determinant

[Mehmet Suezen]

David van der Spoel wrote:
> 
> On Wed, 2002-09-11 at 17:29, Mehmet Suezen wrote:
> > > David van der Spoel wrote:
> > >
> > > > Have you checked the coordinates after 1 step? Are they NaN or inf?
> > It is normal, non of them. Actually problem arrises some where between
> > 10 -100 steps. Unusally,
> > program do not predict finish timing
> it's still most likely the physics: exploding system or something like
> that...

basicly I've merged two equilibrium geometries. Single geometry works
perfectly, unlike
merged one. If I continue to remove angular motion system gives
mentioned error.
Really, I didn't get why?
cheers,mehmet
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> --
> Groeten, David.
> ________________________________________________________________________
> Dr. David van der Spoel,        Biomedical center, Dept. of Biochemistry
> Husargatan 3, Box 576,          75123 Uppsala, Sweden
> phone:  46 18 471 4205          fax: 46 18 511 755
> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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