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 - 17:45:17 PDT
