Dear all amber users,
i have a organic molecule with atomic mass 180 in methanol ( atomic mass
32) and i want to calculate radial distribution function. Now if used
(a) volume keyword then i got different value on y axis
(b) density keyword then i got different value on y axis . For example i
used density value = 0.6022/32 = 0.01881875, when i used this density value
for intersolvent rdf i got good result but when i used this density value
i got very poor result, then what should density value i used for rdf
between solute and solvent mask. Should it be 0.6022/180 or 0.6022/32 or
other.
thanking You.
--
Robin Jain
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Received on Wed Jun 17 2015 - 02:00:03 PDT
