[gmx-developers] WARNING: Found more than 12 triclinic correction vectors, ignoring some.

[Tsjerk Wassenaar]

Hi,

I met the following warning when running genion:

WARNING: Found more than 12 triclinic correction vectors, ignoring some.
  There is probably something wrong with your box.
         Box (3x3):
            Box[    0]={ 6.79189e+00,  0.00000e+00,  0.00000e+00}
            Box[    1]={-2.06669e+00,  5.07661e+00,  0.00000e+00}
            Box[    2]={ 1.33585e+00, -1.79879e+00,  4.65595e+00}

This is strange, since the box fully complies with the gromacs rules
(it was transformed to comply with gromacs rules). I tracked the
message to low_set_pbc in pbc.c, but couldn't figure out the rationale
behind the warning. Maybe one of the developers could shed some light
on the matter? To my opinion, gromacs shouldn't complain/warn about a
box meeting its standards. Also, editconf/genbox did not complain.

Thanks in advance.

Cheers,

Tsjerk

-- 
Tsjerk A. Wassenaar, Ph.D.
Biomolecular NMR, Utrecht University,
Padualaan 8,
3584 CH Utrecht, the Netherlands
P: +31-30-2539931
F: +31-30-2537623