[gmx-users] regarding xtc file

Ravi Kumar Venkatraman ravikumarvenkatraman at gmail.com
Wed Aug 17 08:31:00 CEST 2011


Dear all,
            When I use mdrun_d to generate NPT or NVT ensemble I am not
getting the .xtc file(compressed trajectory file).
Further if I use .trr file to see the trajectory using VMD it shows nothing.

I gave following command during mdrun,

mdrun_d -s *.tpr -x *.xtc -o *.trr -cpo *.cpt -e *.edr -c *.gro -n *.ndx

Is there anything wrong in the above commands or atleast why I am not able
to view the trajectory using .trr file.
Please suggest me something.

Thank you.

Ravi Kumar Venkatraman
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