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

Dr. Vitaly Chaban vvchaban at gmail.com
Sun Feb 23 12:32:01 CET 2014


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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