RE: AMBER: MAXPR

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 24 Sep 2007 08:30:38 -0700

Hi Santanu,
 
Please take a look at the following message from the mailing list archive
and see if it helps:
 
http://amber.ch.ic.ac.uk/archive/200704/0291.html
 
All the best
Ross
 
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From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
san_amber roy
Sent: Sunday, September 23, 2007 21:18
To: amber.scripps.edu
Subject: AMBER: MAXPR


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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Received on Mon Sep 24 2007 - 17:45:31 PDT
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