[gmx-users] gmx distance

amitbehra at chemeng.iisc.ernet.in amitbehra at chemeng.iisc.ernet.in
Sat Jul 9 16:24:23 CEST 2016


Hello users,
I wanted to calculate Oxygen-Oxygen pair distance of a simple bulk water
simulation. I made group of all the oxygen atoms using make_ndx.
Now I am trying to use " gmx distance" :
gmx distance -f water_whole.xtc -s water.tpr -n index.ndx -oav
distances_oo.xvg
But this is giving wrong output.
Can anyone help me in how to properly use gmx distance ???

Regards,
Amit Behera




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