AMBER Archive (2005)

Subject: AMBER: Dynamics error

From: S.Sundar Raman (sundar02_at_gmail.com)
Date: Tue Feb 08 2005 - 05:25:07 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 

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