From: Thomas Brian (thomasbrianxlii_at_gmail.com)
Date: Wed Jun 20 2012 - 23:17:11 CDT
In the NAMD output file it gives info about the lookup table r^2 spacing.
But, I don't think this is the spacing between values in the lookup table,
as it seemed at first. In fact, I don't think the lookup spacing is equal
through the range. At least I know it does not scale linearly with the
cutoff value. I tried looking at the source code in
ComputeNonbondedUtil.C but I have not been able to figure it out. I also
tried to see what kind of interpolation is done (if any), but I don't know
where in the source code this would be. Is there any way someone could
give some pointers on the basic geometry of the lookup table?
Thanks,
Tom
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