AMBER Archive (2008)

Subject: AMBER: radial distribution function in ptraj

From: Lili Peng (lpeng_at_ucsd.edu)
Date: Tue Jan 29 2008 - 03:36:37 CST

Hi all,

I have two questions addressing the radial rdf command in ptraj. First,
what is the significance of the 3 output files: carnal.xmgr, volume.xmgr,
and standard.xmgr? What makes each unique from the other two? Also, in
these output files, there are two columns for g(r) that correspond to r.
What is the difference between the two columns of data?

Thanks in advance,
lili

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