[gmx-users] Re: Advantage of NPT over NVT?

[Mark Abraham]

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