[gmx-users] Interaction energy of system as a function of the interface area

[Dr. Vitaly Chaban]

step-by-step


Dr. Vitaly V. Chaban


On Sun, Feb 23, 2014 at 9:51 AM, maryam haji <maryam6890 at gmail.com> wrote:
> Dear all
>
> My system consists of protein and CNT. I know I can calculate
> Interaction energy and interface area using g_energy and g_sas tools,
> respectively.
>
> I want to obtain Interaction energy of my system as a function of the
> interface area between the protein and CNT.
>
> How to do this?
>
> Any help will highly appreciated.
> --
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