VMD-L Mailing List

From: Valeria Molinero (valeria.molinero_at_utah.edu)
Date: Tue Jul 22 2008 - 18:58:25 CDT

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