AMBER Archive (2004)

Subject: AMBER: EWALD BOMB?

From: Ryan Ye (ryejob_at_yahoo.com)
Date: Sat Mar 20 2004 - 13:28:01 CST

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!

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