[gmx-users] binding energy

[Bratin Kumar Das]

It's Helmholtz free energy

On Wed 25 Dec, 2019, 12:57 AM Souparno Adhikary, <souparnoa91 at gmail.com>
wrote:

> Correct me if I'm wrong. I presume you are running an NPT simulation, so
> the volume doesn't need to be constant, which is a requirement for
> Helmholtz's. On contrary, Gibb's FE gives an idea of thermodynamic
> potential (work done?).
>
> Again, correct me if I'm wrong.
>
> মঙ্গল, ২৪ ডিসেম্বর, ২০১৯ ৭:৫৮ PM তারিখে Negar Parvizi <
> negar.parvizi at yahoo.com> লিখেছেন:
>
> > Dear all,I am using umbrella sampling tutorial (Justin tutorial). I just
> > wondering the binding energy is Gibbs free energy or Helmholtz free
> > energy?and how can I find the difference between these two free energies?
> > Thanks,Negar
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