On Mon, 2014-02-24 at 20:58 +0800, Sun wrote:
> Hi dac,
>
>
> Thanks for your kindly reply, but I actually did NOT use sander.MPI.
> the program I used was JUST sander.
Then Amber was not compiled 'properly'. It's certainly possible to have
a sander executable that is _really_ sander.MPI, but this would indicate
a non-standard compilation procedure. I suggest recompiling, following
the instructions in the first chapter of the AmberTools manual.
Without knowing exactly what you did it's impossible to provide any more
help.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Feb 24 2014 - 05:30:04 PST
