AMBER Archive (2006)

Subject: AMBER: Non bond list overflow in amber8.0 program.

From: nag raj (nagaraju_chem_at_yahoo.co.in)
Date: Sun Jun 18 2006 - 23:54:04 CDT

Dear amber users,
                    I am using amber8.0 program, when
i tried to equilibriate the system, i got following
the error.

* NB pairs 664 7275860 exceeds capacity ( 7276000) 0
 SIZE OF NONBOND LIST = 7276000
 SANDER BOMB in subroutine nonbond_list
 Non bond list overflow!
 check MAXPR in locmem.f

I have checked in $AMBERHOME/src/sander, the locmem.f
existed but i don't know where i have to change MAXPR.
Any suggestions are appriciated.
        Thanks in advance.
                                       bye
                                 Nagaraju Mulpuri
 

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