From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Sun Sep 10 2006 - 14:53:20 CDT
Here's what was happening. With VDW:
Info: CUTOFF 6.1896e+223
Info: CUTOFF 2.13032e-313
It turns out that if you have switching off and don't specify a cutoff
distance you can end up with a garbage value that is sensitive to the
state of the memory subsystem.
On Fri, 8 Sep 2006, E. Prabhu Raman wrote:
> I observed that when the parameter file name supplied to NAMD has a name comprising of less than 9 characters(excluding the dot and extension), the Vdw potential is not computed i.e the value of that is zero.
> This seems weird as it is difficult to imagine any connection, but I surely observed this.
> E.Prabhu Raman
> Ph.D Student,Bioinformatics & Computational Biology
> George Mason University
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