AMBER Archive (2007)

Subject: AMBER: MAXPR

From: san_amber roy (sanamber_at_gmail.com)
Date: Sun Sep 23 2007 - 23:18:26 CDT

Dear amber users,
                           whenever I am running sander (of AMBER 8 ) to
mimimize a system with cut = 10, it is showing error like ' SANDER BOMB in
subroutine nonbond_list NON BOND list overflow',

so firstly, this is the error...

* NB pairs 1791 4358815 exceeds capacity ( 4359000) 0
     SIZE OF NONBOND LIST = 4359000
 SANDER BOMB in subroutine nonbond_list
 Non bond list overflow!
 check MAXPR in locmem.

and whenever the cut = 8, the output is saying 'unreasonably small cut off
for non periodic run............ input error. '

so how to get rid of this error?

Kindly look into this matter.
Santanu

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