On Mon, Jan 20, 2003, Miguel de Federico wrote:
> I'm trying to run a simple minimization and I have got the next error
> message at the end of the out:
> ...
> Ewald PARAMETER RANGE CHECKING:
> parameter skinnb+cutoffnb: (nonbond list cut) has value 0.10000E+02
> This is outside the legal range
> Lower limit: 0.00000E+00 Upper limit: 0.98022E+01
> Check ew_legal.h
>
In fairly small systems, you sometimes need to reduce the skinnb value
to less than its default value of 2.0; try using 1.5 or 1.0.
..good luck...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
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Received on Mon Jan 20 2003 - 09:31:49 PST
