AMBER: rgbmax--something wrong with my input file?

From: Kenley Barrett <kenley.barrett.gmail.com>
Date: Tue, 27 Jun 2006 16:10:27 -0500

Dear AMBER community,

I am having problems running a simple implicit solvent minimization. I have
tried to run the job on two different computers. On the first computer, the
job completed but produced a very strange .out file in which, after a point,
the energy began rotating between -1, -9, and -3. I have attached this .out
file. On the second computer the job crashed with the error: " The NAMELIST
READ statement cannot be completed because item rgbmax is not a member of
the NAMELIST group cntrl. The program will recover by
discontinuing further processing of the READ statement..."

I have examined my .in file and I can't figure out how I used "rgbmax"
incorrectly, or what else I might have done wrong. If anyone could offer any
advice on what mistake I have made, I would be very grateful. My .in file is
pasted below.

Thank you in advance.

Kenley

&cntrl
  imin=1,
  ntx=1,
  ntf=1,
  ntb=0,
  cut=35,
  igb=5,
  rgbmax=30,
  ntr=1,
  ntc=1,
  maxcyc=500,
  ntmin=2,
  restraint_wt=500,
  restraintmask=:* & !.H= & !:WAT
 /



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Received on Wed Jun 28 2006 - 06:07:08 PDT
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