Re: [AMBER] problem with MMPBSA.py

From: xueqin pang <pangxueqintea.yahoo.com.cn>
Date: Sat, 16 Jan 2010 14:44:59 +0800 (CST)

Jason,
 
when doing pb calculation, the error report is :
Error: PB bomb in pb_reslist(): maxnbr too small
  The number of pairs is  36703221
  maxnbr is  36702000
  One approach would be to decrease cutres.
 
So where to change cutres, we should change it bigger, right?
 
Thanks and good weekend

 
 


Good luck!
Jason

-- 
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Fri Jan 15 2010 - 23:00:03 PST