[gmx-users] g_sas Vdwradii.dat

David van der Spoel spoel at xray.bmc.uu.se
Tue Jun 10 08:30:11 CEST 2008

maite lopez cabezas wrote:
> Hi:
> Thanks for the quickly answer. The problem is like David said. g_sas 
> use  the Van der Waals radius of the vdwradii.dat file. I want to use 
> the same valors that appear in this file but i want to know where they 
> were taken for adding the P valor.
> Thanks,
> Maité

Search the literature for papers about this. I forgot where the current 
values come from, it could well be that they the Eisenhaber paper.

David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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