Mohammad Zahidul Hossain Khan

8 Questions 12 Answers 0 Followers

Questions related from Mohammad Zahidul Hossain Khan

Can anyone tell me the software name where I can measure the magnetic behavior of my input structure?

I do MD simulation of pure iron by radiation damage. but I want to measure the magnetic behavior of my crystal structure (XYZ format) after finishing the MD simulation. So that I can compare what...

03 January 2019 6,433 3 View

Does anyone know how to use Atomicrex for generating EAM potential?

Hi Atomicrex user, I want to generate EAM potential for Fe (FCC structure) also, I want generate for Fe-O. Can anyone help me on that things?

02 April 2018 6,108 0 View

Can anyone help my why my oxygen particle is not moving during simulation?

Hi everyone I have attached two image. one is before simulation and another is during simulation. Can anyone tell me why my oxygen particle is not contributing on the simulation? #...

29 March 2018 2,764 2 View

Can anyone help me for Pair coefficient of iron_core_iron_oxide?

Hi I want to do MD simulation for Iron_core_iron_oxide. Basically I will see the radiation damage for this iron core oxide shell. I am new in material MD simulation. I have some basic idea for MD...

04 March 2018 8,172 3 View

How to script for Fe3O4 for lammps software?

Hi I am very new for lammps. I want simulate iron core Iron oxide structure. I know there are many things need to run the simulation. but for the beginning i need the geometry structure of iron...

13 February 2018 1,253 3 View

Does anyone know the MD simulation software name for radiation damage in material?

I am looking for MD simulation software for radiation damage measurement in materials. I also need tutorial for that software.

17 January 2018 7,667 2 View

Does any one know how to calculate Solvent accessible Surface Area for gromacs using LCPO algorithm?

Dear Sir I want to calculate the SASA energy for protein ligand system. I want to use LCPO algorithm base SASA model. I am also gromacs user.

05 August 2017 7,061 1 View

Does any one have idea about mmpbsa for protein-protein interaction?

My project is binding energy calculation using mmpbsa for protein-protein interaction. I have used g_mmpbsa for binding energy calculation. I am getting very irrelevant energy for 1BRS (581..562...

13 February 2017 3,163 5 View