AMBER Archive (2006)

Subject: AMBER: PB bomb in pb_atmlist(): MAXNEI too short

From: snowyowls (amberlist_at_gmail.com)
Date: Mon Apr 10 2006 - 07:55:12 CDT

dear all amber users:
i using amber8 to run a pbsa caculation and it failed with a message

PB bomb in pb_atmlist(): MAXNEI too short

here is my pbsa.in file

 &cntrl
  ntf = 1, ntb = 0,
  igb = 10, dielc = 2.0,
  cut = 15.0, nsnb = 99999,
  scnb = 2.0, scee = 1.2,
  imin = 1, maxcyc = 0, ntmin = 2,
 &end
 &pb
  epsin = 1.5, epsout = 80.0,
  istrng = 0.012, radiopt = 0,
  sprob = 1.6, space = 0.5,
  maxitn = 800
  npbverb= 1,
  cutres= 18,
  fillratio=4.0,
 &end

i have search this fail message in maillist achive but not find any
infometion about it
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