[gmx-users] State of Matter

Sina Omrani sinaomrani96 at gmail.com
Mon Jan 20 15:14:15 CET 2020


Thank you Christian,
But my question is more about how to introduce state of the system. Does it
depend on the temperature and pressure or force field parameters?

On Mon, 20 Jan 2020 at 15:42, Christian Blau <blau at kth.se> wrote:

> Hi Sina,
>
>
> You can have a look at order parameters of your system like angular
> distributions, orientations, local densities, etc.
> with analysis tools like gmx angle, h2order, order.
>
>
> Best,
>
> Christian
>
> On 2020-01-20 12:02, Sina Omrani wrote:
> > Hi, I'm new to GROMACS and Molecular Dynamics and I'm sorry if it is a
> > witless question but how we can specify the state of a component (gas,
> > liquid or super critical) in MD simulations?
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