[AMBER] density calculation in radial cpptraj

From: Asmita Gupta <asmita4des.gmail.com>
Date: Mon, 4 Feb 2013 15:38:24 +0530

Dear users,

  To calculate RDF of Na ions from phosphate groups of nucleic acids, how
is density calculated if volume keyword is given..

For example, i am using this command for RDF in cpptraj:

radial rdf_na_bin_20.dat 0.5 10 .Na+ .P,OP?,O?P volume

Average volume of the system is : 168452.135 (Ang^3)

Thanks

Asmita
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 04 2013 - 02:30:02 PST
Custom Search