[AMBER] premed.MPI warning

From: George Tzotzos <gtzotzos.me.com>
Date: Sun, 10 Jan 2016 11:37:45 +0100

I’m running an MD equilibration. For first time I see the following warning:

Note: The following floating-point exceptions are signalling: IEEE_DIVIDE_BY_ZERO

The script I’m using is

equilbration without restraints Agam(4fqt:Dimer in complex with 6-MH)
  ioutfm=1, ntxo=2,
  cut=8.0, ntb=2, ntp=1, taup=2.0,
  ntpr=1000, ntwx=1000,
  ntt=3, gamma_ln=2.0, ig=-1,

Is the warning something worry about? Is there something to be done about?

Thanks in advance for suggestions


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Received on Sun Jan 10 2016 - 03:00:03 PST
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