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

2014-02-23 Thread maryam haji
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

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

2014-02-23 Thread Dr. Vitaly Chaban
step-by-step Dr. Vitaly V. Chaban On Sun, Feb 23, 2014 at 9:51 AM, maryam haji maryam6...@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

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

2014-02-23 Thread Justin Lemkul
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