[gmx-users] Fatal error Determinant

[Mehmet Suezen]

David van der Spoel wrote:
> 
> On Wed, 2002-09-11 at 16:19, Mehmet Suezen wrote:
> > David van der Spoel wrote:
> > >
> > > about center of mass motion with reasonably old
> > > gromacs?
> >
> > Error occured with gromacs3.1.3 and nstcomm=-1. It is strange because
> > I can used same set up with different number of particles.(different
> > geometry)
> could it be that the particles are all in a plane? Then the algorithm
> won't work...
> >

It is a random structure and when I produce tpr grommp also complains

WARNING 2 [file sample.mdp, line unknown]:
mdrun will apply removal of angular momentum when nstcomm < 0
checking input for internal consistency...

even nstcomm is -1. I can run it for a single step but more is trouble.

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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