AMBER: (no subject)

From: Andrew Box <box_twin3.hotmail.com>
Date: Sun, 09 Jul 2006 22:49:02 +0000

AMber Users.

I get the following error on occasions when I am doing a dynamics run. I
have read the previous posts for this error, but I am not sure exactly which
values in ew_legal.h to change so I can perform the run with a cut off 9
angstroms or greater.

Ewald PARAMETER RANGE CHECKING:
parameter skinnb+cutoffnb: (nonbond list cut) has value 0.11000E+02
This is outside the legal range
Lower limit: 0.00000E+00 Upper limit: 0.10272E+02
Check ew_legal.h

Thanks in advance.

Andrew Box
La Trobe University

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Received on Wed Jul 12 2006 - 06:07:08 PDT
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