AMBER: NMA

From: Steve Seibold <seibold.chemistry.msu.edu>
Date: Fri, 11 Jul 2008 12:34:00 -0400

Hello amber
I am just trying to run the tutorial "Crown Ether" (using amber8) and when I load the input file I get the following error

"PGFIO-F-228/namelist read/unit=5/end of file reached without finding group.
 File name = nmode_min.in formatted, sequential access record = 17
 In source file _rdinp.f, at line number 112"


My input file is:
&data
  ntrun=4,
  nsave=2,
  ndiag=2,
  cut=95,
  nprint=100,
  drms=0.00001,
  maxcyc=100,
  bdwnhl=0.01,
  dfpred=0.1,
  scnb=2.0,
  scee=2.0,
  nvect=200,
  ntxo=0,
%end

I don't know what "finding group" means. I am not sure what group it is looking for. I do have all the other requisite files such as crown_plain.crd and crown_plain.top.

Can someone help me please.

Steve
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Received on Sun Jul 13 2008 - 06:07:50 PDT
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