[gmx-users] maximum energy in ipnic liquid

[Dr. Vitaly Chaban]

There is no "command", but your can obviously compute formation energy
of your structure.


Dr. Vitaly V. Chaban

Виталий Витальевич ЧАБАН


On Mon, Jul 28, 2014 at 6:05 PM, Andy Chao <achao at energiaq.com> wrote:
> Dear gromacs users:
>
> is there any gromacs command that can allow us to compute the maximum
> allowable energy that can be sustained on an ionic liquid structure?
>
>
> in other words, instead of energy minimization, we would like to
> compute maximum energy under stability.
>
> Thanks!
>
> Andy
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