AMBER Archive (2005)

Subject: AMBER: dynamics error

From: S.Sundar Raman (sundar02_at_gmail.com)
Date: Tue Feb 08 2005 - 05:10:19 CST


i am a new user to amber.
i constructed polyala using xleap,then i minimised the system using
sander program.
when i am trying to do dynamics i got the following error.pls help me
in this regaurd.

formatted I/O: end of file -1
apparent state: unit 9 named polyala.rst1
last format: (6F12.7)
Unit 9 is a sequential formatted external file
*** Execution Terminated (-1) ***

i gave the following inputs for dynamics
 &cntrl
  imin =0,
  IREST = 1,
  NTX = 7,
  NTT = 1,
  TEMP0 = 300.0,
  TAUTP = 0.2,
  ntp = 1,
  taup = 0.2,
  ntb = 2,
  ntc=4,
  ntf=2,
  NSTLIM = 100,
  ntwe = 2,
  ntwx = 2,
  ntpr =5,
 &end
END
END

-- 
S.Sundar Raman
Chemical Lab,
CLRI
Chennai-20
ph: 044-24411830
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