AMBER Archive (2003)

Subject: Ewald error

From: Miguel de Federico (miguel_at_qorws1.uab.es)
Date: Mon Jan 20 2003 - 09:32:21 CST

 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

 I have run other times sander with similar systems and I never had this
problem. Could anybody tell me what this means and how can I solve it?

 Thank you in advance,

Miguel.