AMBER Archive (2006)

Subject: AMBER: (no subject)

From: Andrew Box (box_twin3_at_hotmail.com)
Date: Sun Jul 09 2006 - 17:49:02 CDT

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

_________________________________________________________________
realestate.com.au: the biggest address in property
http://ninemsn.realestate.com.au

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu