AMBER Archive (2004)

Subject: AMBER: NB pairs exceeds?

From: Chen (csong_at_mail.sdu.edu.cn)
Date: Fri Jul 16 2004 - 02:35:16 CDT

Hi,amber users:
   I met with a problem when I used sander(amber8) to do some simulations.It gave me some information like this:

   
 * NB pairs 540 8952737 exceeds capacity ( 8952768) 0
     SIZE OF NONBOND LIST = 8952768
 SANDER BOMB in subroutine nonbond_list
 Non bond list overflow!
 check MAXPR in locmem.f

   What's the matter?Is it because that my system is too large? There are altogether 15543 atoms in my system.

Thanks in advance.

　　　　　　　　
        
        
　　　　　　　　Chen
　　　　　　　　csong_at_mail.sdu.edu.cn
　　　　　　　　　　2004-07-16
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