On Tue, Oct 27, 2015, jfliu wrote:
>
> I constructed a truncated octahedral water box which has only 64
> water molecules, and I wanted to run MD simulation for these 64 water
> molecules in periodic boundary condition ...
Amber cannot do this sort of simulation. The minimum size of the periodic
box (in any direction) is around 18 Ang. The absolute minimum number of
waters that is feasible is around 200.
....dac
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Received on Tue Oct 27 2015 - 10:30:09 PDT
