Thanks, dac, that fixed the problem. Tom
On 4/17/17 10:32 AM, David Case wrote:
> 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 Wed Apr 19 2017 - 12:30:02 PDT
