[gmx-users] Adding water (part 2)

David van der Spoel spoel at xray.bmc.uu.se
Sat Aug 27 20:22:35 CEST 2005

On Sat, 2005-08-27 at 14:00 -0400, Bob Johnson wrote:
> Hello,
> Sometimes I get the following error message after running a simulation with one
> additional water molecule.
> Fatal error: ci = -2147483648 should be in 0 .. 3583 [FILE nsgrid.c, LINE 218]
maybe your problem is that you think you are putting the water in empty
space while you are putting it in the DNA, which is then hard to see due
to PBC.
> Also, how do I submit posts to the mailing list so that it displays the message
> within my original thread?

I like to keep the messages short, so I cut out unnecessary stuff.

> Thanks,
> Bob Johnson
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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://xray.bmc.uu.se/~spoel

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