On Fri, Jan 27, 2006, Piotr Cieplak wrote:
> No, I used eps 1.0. The input for anal is as follows:
>
> test of anal energies
> 1 0 0 0 0 1
> 0 0.0 0.0 0.0 0.0
> 1 0 0 0 0 0
^^^^^
You are setting idiel=0 in anal, which means a distance-dependent dielectric.
But GB uses a constant dielectric. Try setting this value to 1.
[Of course, this awful user interface is one reason anal should be headed for
the junkpile. But the promised replacements have been slow in arriving....]
....dac
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Received on Sat Jan 28 2006 - 06:10:07 PST
