[gmx-users] more than 12 triclinic correction vecotrs

Berk Hess gmx3 at hotmail.com
Wed Nov 5 12:44:57 CET 2008


Which Gromacs version is this?
In 3.3 there were problems like this, but they should be fixed in 4.0.

In most cases you can ignore the warnings and the results will be correct.


> Date: Wed, 5 Nov 2008 12:25:08 +0100
> From: frankejo at uni-muenster.de
> To: gmx-users at gromacs.org
> Subject: [gmx-users] more than 12 triclinic correction vecotrs
> Hi,
> I am getting the following error message when running mdrun:
>     "
>     WARNING: Found more than 12 triclinic correction vectors, ignoring some.
>       There is probably something wrong with your box.
>              Box (3x3):
>                 Box[    0]=3D{ 3.85690e+00,  0.00000e+00,  0.00000e+00}
>                 Box[    1]=3D{ 7.49554e-01,  3.18374e+00,  0.00000e+00}
>                 Box[    2]=3D{ 3.59307e-01,  4.96611e-02,  3.74767e+00}
>     "
>     I cannot figure out why my box should not comply with the limits given
>     in the manual.
>     Any comments would be highly appreciated!
>     Thanks in advance,
>     J.H. Franke.
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