AMBER Archive (2005)

Subject: AMBER: error during MD run

From: cbala_at_igib.res.in
Date: Wed May 18 2005 - 13:39:25 CDT

I am practising the tutorial (Poly AT 10 mer simulation)given in the
amber website.

I hve carefully followed the instruction given in the website.

THE FOLLOWING IS THE INPUT FILE I CREATED ie AT-vac-md1-12cut.in to give
to MD run
-----------------------------------------------------------------------------

10 m10 mer DNA MD in-vacuo, 12 angstrom cut off
 &cntrl
  imin = 0,ntb = 0,
  igb = 0, ntpr = 100, ntwx= 100,
  ntt = 3, gamma_ln = 1.0,
  tempi = 300.0, tempo = 300.0,
  nstlim = 100000, dt = 0.001,
  cut = 12.0
/

----------------------------------------------------------------------------

when i gave the command to run MD, i got the following error message,

-----------------------------------------------------------------------------
lib-4324 :UNRECOVERABLE library error

Encountered during a namelist READ from unit 5

Fortran unit 5 is connected to a sequential formatted text file:

"AT-vac-md1-12cut.in"

10T Trap.
----------------------------------------------------------------------------

kindly suggest me what could be the reason for this,

c.bala
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