[gmx-users] reducing vdw radii

David van der Spoel spoel at xray.bmc.uu.se
Thu Jul 8 10:03:33 CEST 2004


On Thu, 2004-07-08 at 09:43, Uwe Richter wrote:
> Hi all,
> 
> is there an easy way to effectively reduce the vdw radii of the
> atoms of my system. I want to use that for some docking experiments.
> 
How about the softcore potentials? Check manual.
> Thanks,
> Uwe
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone:  +46 18 471 4205  fax: +46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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