[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:
> 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.
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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