<P>
<BR>
Sir,<BR>
I have added the T-couple parameters. No problems in running grompp tpr and trr files are created sucessfully. <BR>
But when i run the final mdrun simulation it returns <BR>
<BR>
"Only triclinic boxes with the first vector parallel to the x-axis and the second vector parallel to the xy-plane are supported <BR>
Box(3x3)<BR>
Box [ 0]={ nan, nan, nan}<BR>
Box [ 1]={ nan, nan, nan}<BR>
Box [ 2]={ nan, nan, nan}<BR>
cannot fix pbc"<BR>
<BR>
What could be wrong Sir.<BR>
<BR>
thanks <BR>
bala<BR>
</P>
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