[gmx-users] calculating free energy

nazli kashani javid nazlikjavid at gmail.com
Sat Apr 18 17:24:59 CEST 2015

Hi all,

I know there are some methods for calculating free energy of* binding*
between a ligand and a receptor.

1.Are there any methods for calculating free energy of *unfolding *proteins?

4_helix bundle protein makes my system,

2.Is scientifically reasonable for my system to calculate free energy in
the same way as described in tutorial number 6, methane in water ( coupling
parameter : vdw interaction)?

Thank you

any help is appreciated.

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