[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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