Hi,
I have looked over the archives to find a solution to this error
SANDER BOMB in subroutine nonbond_list
Non bond list overflow!
check MAXPR in locmem.f
So i found that you have to edit this portion of the locmem.f file so i did to this,
if( numextra == 0 ) then
maxpr_float = natom * (cutoffnb + skinnb)**3 / 30000000d0
else ! need more nonbon storage with extra points
maxpr_float = natom * (cutoffnb + skinnb)**3 / 2.50d0
end if
! --- cap at maximum possible number of pairs:
However im now im getting this error
* NB pairs 282 0 exceeds capacity ( 0)
SIZE OF NONBOND LIST = 0
SANDER BOMB in subroutine nonbond_list
Non bond list overflow!
check MAXPR in locmem.f
Im not sure how else to edit this. Im trying to do a structure nmr refinment of a 12 kda protein. Thanks for helping me resolve this.
Andrew
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Received on Wed Mar 17 2010 - 12:00:04 PDT
