[gmx-users] mindist during MD
David van der Spoel
spoel at xray.bmc.uu.se
Thu Mar 22 12:54:21 CET 2007
andrea spitaleri wrote:
> Hi sorry for the poor information.
> I have used PME with rlist = rcoulomb = rvdw = 0.9 (as I said) and the g_mindist is between the
> protein-protein system
So that number is the distance between the protein and it's periodic
image? In that case it is a bit short.
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://folding.bmc.uu.se
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