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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Received on Wed May 18 2005 - 19:53:00 PDT
