[gmx-users] binding energy

[Souparno Adhikary]

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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