On 2/23/14, 3:51 AM, maryam haji 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 p
step-by-step
Dr. Vitaly V. Chaban
On Sun, Feb 23, 2014 at 9:51 AM, maryam haji 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
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 w