[gmx-users] How to calculate enthalpy

[Dr. Vitaly Chaban]

Sure, you can.



Dr. Vitaly V. Chaban


On Mon, Jul 15, 2013 at 8:38 AM, <pooja_gupta at nccs.res.in> wrote:

> Hi
>
> I want calculate the enthalpy of water molecule corresponding to protein
> folded and unfolded state.
> How much a single water molecule (enthalpy and free energy) contribute in
> folding ?
> Can we calculate enthapy from g_energy?
>
>
>
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