[gmx-users] How to calculate enthalpy
Dr. Vitaly Chaban
vvchaban at gmail.com
Mon Jul 15 10:20:21 CEST 2013
Sure, you can.
Dr. Vitaly V. Chaban
On Mon, Jul 15, 2013 at 8:38 AM, <pooja_gupta at nccs.res.in> wrote:
> 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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