[gmx-users] Fatal error Determinant

[Nguyen Hoang Phuong]

On 11 Sep 2002, 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...
> > 

this is correct. I had the same problem with my planar molecule.

Phuong
-----
> > 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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