On Mon, Apr 17, 2017, Thomas Pochapsky wrote:
> Thanks, Dave. I'll try those. Does the periodic box size get reset
> automatically to maintain uniform solvent density?
It gets reset to match the given external pressure (generally 1 atm by
default). It doesn't care if the solvent density is uniform on not: in fact,
in the vicinity of a protein, the solvent density will be markedly
non-uniform.
....dac
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Received on Mon Apr 17 2017 - 08:00:02 PDT
