[gmx-users] Supercritical CO2
vvchaban at gmail.com
Fri May 1 21:16:05 CEST 2015
If no good model of CO2 still exists, we can publish a right one. It
is very simple. I assume that C-O bond polarity is significantly
different in the supercritical state and in the gas state.
On Fri, May 1, 2015 at 3:30 PM, Alex <nedomacho at gmail.com> wrote:
> I wasn't talking about the initial post. I was talking about the fact
> that in _very stable_ states the same numerical simulation with a
> supposedly well-established set of interactions produces garbage.
> VVC> The point is that any metastable state in numerical simulations
> VVC> requires fine-tuned Hamiltonians.
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