On 17/08/2011 4:31 PM, Ravi Kumar Venkatraman wrote:
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
mdrun_d -deffnm name is rather more efficient.
Is there anything wrong in the above commands or atleast why I am not
able to view the trajectory using .trr file.
You're probably not writing anything to these files. Consult the
contents of your .mdp file in the context of manual section 7.3.8
Mark
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