On Wed, Sep 28, 2016, Pooja Kesari wrote:
> (NTB /= 0 && NTP /= 0) but IFBOX == 0
> This combination is not supported
Your prmtop file is for a non-periodic system, but you are using ntb and ntp
parameters that only work for a periodic system.
[Your life will be easier if you first make sure that you can run a short
simulation in serial, i.e. using sander, before moving to sander.MPI.]
....dac
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Received on Wed Sep 28 2016 - 12:00:02 PDT
