[gmx-users] execution error
Jair
jair at iq.ufrj.br
Thu Sep 15 23:14:44 CEST 2005
Dear gmx users,
I have to change the operating system of my machine due to some problems...
It is running SuSE 9.2 now. But gromacs doesn't run anymore. I'mḿ trying to
restart a md simulations using tpbconv, then I restarted the job with the
command:
% mpdrun -np 2 mdrun -s restart3.tpr -o prot.trr -c prot_pmd.gro -g md.log -e
md.edr
The error is:
Warning: Only triclinic boxes with the first vector parallel to the x-axis and
the second vector in the xy-plane are supported.
Box (3x3):
Box[ 0]={ nan, nan, nan}
Box[ 1]={ nan, nan, nan}
Box[ 2]={ nan, nan, nan}
Can not fix pbc.
Box (3x3):
Box[ 0]={ nan, nan, nan}
Box[ 1]={ nan, nan, nan}
Box[ 2]={ nan, nan, nan}
Can not fix pbc.
Any suggestion to solve this? Thanks, jjvc
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