Is there any way to compute g(r) function using VMD(Visual Molecular Dynamics)?

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Tao Cheng

Yes.

"Extensions" ==> "Analysis" ==> "Radial Pair Distribution Function g(r)".

Alternatively, you may also consider to compute g(r) by directly using “compute rdf” in LAMMPS.

http://lammps.sandia.gov/doc/compute_rdf.html

Monika Choudhary

Thanks Tao

Thank you Achraf

Kolawole Sonibare

Hi. I got some center of mass trajectories written to a LAMMPS output file, will you be kind enough to help me with how to get this information with VMD? It seems VMD cannot open the file directly.