[gmx-users] Coordination vs cumulative number in gmx_rdf

Dilip H N cy16f01.dilip at nitk.edu.in
Tue Aug 29 08:09:37 CEST 2017

In the command to calculate rdf,
gmx rdf -f md.trr -s md.tpr -n abc.ndx -o rdf_abc.xvg -cn cn_abc.xvg
Is the cumulative number obtained using the -cn flag with gmx_rdf same as
coordination number?
If not, then how can I calculate coordination number from cumulative
number? or how can i calculate the corresponding coordination number in
with gromacs tools ..??

Any suggestions are highly appreciated...

Thank you..
With Best Regards,

Ph.D Student

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