[gmx-users] probelm with mdrun

balamurugan r biobee at rediffmail.com
Tue Mar 15 11:59:17 CET 2005

     I have added the T-couple parameters.  No problems in running grompp tpr and trr files are created sucessfully. 
  But when i run the final mdrun simulation it returns 

"Only triclinic boxes with the first vector parallel to the x-axis and the second vector parallel to the xy-plane are supported 
Box [   0]={  nan,  nan, nan}
Box [   1]={  nan,  nan, nan}
Box [   2]={  nan,  nan, nan}
cannot fix pbc"

What could be wrong Sir.

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