correction
"RDF= No. of particles found in shell 'dR'/density*[ Vol(R+dR) - Vol(R)]"
On Wednesday, April 9, 2014 3:12 AM, Jio M <jiomm.yahoo.com> wrote:
Hi All
I have generated two RDF plots with different masks (for a single frame) and the output shows that both are using different avg. density for rdf calculation.
Please correct me if I am wrong how RDF is calculated here:
RDF= density*[ Vol(R+dR) - Vol(R)]
Avg. density = (#mask1*#mask2)/avg. volume.
I am just wondering in this case how we can compare both plots because avg. density used is different in both the cases? I have pasted here both commands with main outputs.
1) radial dat1 0.1 10 :WAT (:484,441>.50&:Cl-) volume
ACTION OUTPUT:
RADIAL: 1 frames, 502721 distances.
# in mask1= 230148, # in mask2 = 1015, # in common =
0
Average volume is 2555636.055524 Ang^3.
Average density is 91.405902 distances / Ang^3.
2) radial dat2 0.1 10 :WAT :514 volume # (514 is an Cl- ion)
ACTION OUTPUT:
RADIAL: 1 frames, 396 distances.
# in mask1= 230148, # in mask2 = 1, # in common = 0
Average volume is 2555636.055524 Ang^3.
Average density is 0.090055 distances / Ang^3.
thanks
Jiom
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Received on Tue Apr 08 2014 - 20:00:03 PDT
