VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Jul 31 2008 - 13:00:35 CDT

I should have a new test build containing Axel's patch available
pretty shortly. I'll let you know when it's posted.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Jul 22, 2008 at 05:58:25PM -0600, Valeria Molinero wrote:
> Axel,
>
> where i can get the version you mention? I am using version 1.8.6 for
> mac intel.
>
> The bin size I use is 0.1A. In the version I have I must use a small
> bin because
> the volume used in the normalization is not the one of a sphere shell
> but its
> limiting value 4 pi r^2 binsize. Is this what you fixed?
>
> thanks for your help,
> vale
>
> On Jul 22, 2008, at 4:06 PM, Axel Kohlmeyer wrote:
>
> >if you download a recent alpha test version for the next VMD
> >release, gofr calculations should work fine.
>
> ______________________________
>
> Valeria Molinero
> Assistant Professor of Chemistry
> University of Utah
> 315 South 1400 East Rm 2020
> Salt Lake City, UT 84112-0850
> on campus: 324 INSCC
> (801) 585-9618; fax (801)-581-4353
> valeria.molinero_at_utah.edu
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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