[gmx-users] GMX - local pressure version

Pedro Alexandre Lapido Loureiro paloureiro at biof.ufrj.br
Fri Aug 2 19:52:13 CEST 2002


I know that this is an unsupported gmx version (3.0.2)! Please, do excuse me!
But I am unable to understand the following error message when running mdrun:

Fatal error: Only triclinic boxes with the first vector parallel to the x-axis
and the second vector in the xy-plane are supported.

My .tpb file says:

   box (3x3):
      box[    0]={ 5.48077e+00,  0.00000e+00,  0.00000e+00}
      box[    1]={ 0.00000e+00,  7.33445e+00,  0.00000e+00}
      box[    2]={ 0.00000e+00,  0.00000e+00,  7.00000e+00}

So I don`t see why this message appeared.

Thanks, Pedro. 
Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica

More information about the gromacs.org_gmx-users mailing list