VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Jul 14 2015 - 10:14:12 CDT

You didn't indicate how you were computing these distribution densities,
so it's hard to give any concrete advice. My advice would be to recompute
both of them from scratch using the same scheme so that the density or
occupancy values are normalized to some common basis and could be
directly compared.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Sun, Jul 12, 2015 at 09:07:35PM +0530, DEBOSTUTI GHOSHDASTIDAR wrote:
> Dear VMD users,
>
> I am using the isosurface representation to compare the distribution of
> cations around anions in two different ionic liquids. The isovalue range
> in the two datasets are different: 0 to 32 versus 0 to 98. How do I make a
> meaningful comparison between the two systems? For example, how do I say
> that the distribution of cation 1 around anion 1 is more dense than the
> distribution of cation 2 around anion 2?
>
> Thanks
> --
> Debostuti 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
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