[gmx-developers] Re: Can not invert matrix, determinant =

[Leontyev Igor]

>Can you file a bugzilla and attach your tpr?
>Thanks,

I tried but there is an error again :)

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Template->process() failed twice.
First error: undef error - DBD::mysql::db selectall_arrayref failed: Got
error 28 from storage engine

> Dear gmx developers,
> the error appears each time when I am trying to minimize structure
> (protein+internal+external solvent). The initial structure is far away
> from the minimum (there are some large forces), but it should not be a
> problem, isn't it? I am able to do minimization of the same system by
> gmx3.3.1 version.  What is the problem with 4.0.4 version? Below is the
> error message:
>
>
> Reading file CcO_4hcav_3Dch_E242side_OH-_O2-_PM.tpr, VERSION 4.0.4 (single
> precision)
> Steepest Descents:
>   Tolerance (Fmax)   =  1.00000e+01
>   Number of steps    =         1000
>
> -------------------------------------------------------
> Program mdrun, VERSION 4.0.4
> Source code file: ../../include/vec.h, line: 706
>
> Fatal error:
> Can not invert matrix, determinant =