[gmx-users] Regarding calculation of running coordination number

Dilip H N cy16f01.dilip at nitk.edu.in
Thu Apr 20 07:48:48 CEST 2017

How can i calculate the running coordination number in gromacs..??

I have tried with the gmx rdf command ...ie.,
gmx rdf -f md.trr -s md.tpr -n abc.ndx -o rdf.xvg -cn rdfcn.xvg

and in the gmx rdf description it states that :- Option -cn produces the
cumulative number RDF, i.e. the average number of particles within a
distance r.

Is this the same -cn command that calculates the running coordination
number ..?? or not..??
Thank you

With Best Regards,

Ph.D Student

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