[gmx-users] Fatal error Determinant

Mehmet Suezen suzen at theochem.tu-muenchen.de
Wed Sep 11 15:57:54 CEST 2002


Mehmet Suezen wrote:
> 
> Dear Gromacs Users,
> 
> Anybody ever obtained Fatal error: Determinant after running mdrun.
> as;
> Fatal error: Determinant =
> 1201087450187478402970099969957581291520.000000
> 
> Why this huge number occured ? Is is related to Inertia Tensor?

Let me reply my self:) Bad initial structure! 
http://www.gromacs.org/pipermail/gmx-users/2001-December/000301.html

But any other suggestion would be appreciated.

Cheers,Mehmet



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