[AMBER] MM-PBSA: PB bomb in pb_reslist(): maxnbr too small

From: manikanthan bhavaraju <manikanthanbhavaraju.gmail.com>
Date: Mon, 21 Feb 2011 20:02:22 -0600

Dear All,
I am trying to run MM-PBSA calculations for my system. But I am getting the
error: PB bomb in pb_reslist(): maxnbr too small

The following is the input for the calculation

File generated by mm_pbsa.pl. Using
PB
 &cntrl

  ntf = 1, ntb =
0,
  igb = 10, dielc =
1.0,
  cut = 999.0, nsnb =
99999,
  scnb = 2.0, scee =
1.2,
  imin = 1, maxcyc = 0, ntmin =
2,
 &end

 &pb

  epsin = 1.0, epsout =
80.0,
  istrng = 0, radiopt =
0,
  sprob = 1.4, space =
0.5,
  maxitn = 1000, fillratio =
3,
  npbverb=
1
 &end

I have read previous amber mails regarding this problem. *One of the
suggestion was to add print OUT "cutres = 12\n"; at line #435 in
**$AMBERHOME/src/mm_pbsa/
mm_pbsa_createinput.pm:
Still I am getting the same error. Any other suggestions?

Thanks,

manikanthan
**
** *
-- 
Manikanthan Bhavaraju
Graduate Teaching Assistant
Dept. of Chemistry
Mississippi State University
office no : 662-325-4633
MS -39762
USA.
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Received on Mon Feb 21 2011 - 18:30:04 PST
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