Hi Ryan,
have you ever received any answers to your Ewald bomb question? If so,
I'd be interested, because a while ago I had a similar problem and was
not able to fix it.
Martina
Ryan Ye wrote:
> Hi all,
>
> I got the following error when running dynamics:
> ------------------------------------------------------
> * NB pairs 296 5399790 exceeds capacity
> ( 5400000) 0
> SIZE OF NONBOND LIST = 5400000
> EWALD BOMB in subroutine ewald_list
> Non bond list overflow!
> check MAXPR in sizes.h
> ------------------------------------------------------
> What does this mean and how can I fix it?
>
> Thanks a lot!
......................................................................
Dr. Martina Roeselova Tel: +1-949-824-9921
Department of Chemistry Fax: +1-949-824-9920
University of California
Irvine, CA 92697-2025 USA office: 3218, Natural Sciences I
......................................................................
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Mar 22 2004 - 19:53:00 PST
