[gmx-users] Analysis for the big systems containing more than 100, 000 atoms
David van der Spoel
spoel at xray.bmc.uu.se
Mon Oct 2 18:41:07 CEST 2006
이 선주 wrote:
> Dear Users
> I am recently trying to analyze a double bilayer system, which contains
> more than 100,000 atoms.
> While I was caculating g_potential, I found out that the index number
> was redundant, and presumably becuase of that, the potential profile was
> really weird. Does anyone have this problem and know how to figure this
> problem of redundant indexing?
try writing your own index file.
> Thank you
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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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