Vitaly V. Chaban wrote:
If your model gives a correct fluid density with NPT, use NPT. If it
does not, then use NVT.
This is a quick practical guide, not not read much. :)
Sounds dangerous :-) If the model produces a wrong density, you'd want
to be reasonably confident your observable is not linked to the
underlying cause, before just proceeding at NVT... Sounds like a really
easy criticism for a reviewer to knock back a paper on.
Mark
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