Elsaid Mohamed

6 Questions 9 Answers 0 Followers

Questions related from Elsaid Mohamed

How can I detect the parameters of the PPPM method in in the md simulation with HOOMD-blue?

The box is 906*906*906 Å^3 particles are 2961

06 August 2021 727 2 View

How do you calculate Debye length between charged particles (with known volumes) in water?

I think the volumes of the particles should affect the value of the Debye length.

19 June 2021 9,839 0 View

The field in Monte Carlo simulation to study electrostatic potential among hard spheres?

I am using the HOOMD-blue package, and I was advised to use force-shifted Leanard Jones potential, with a tree neighbor list. I do not know which parameters I should write for those charged...

08 April 2021 6,659 2 View

Free and easy program to perform Monte Carlo simuation

I need to model a box with some hard spheres immersed in water to monitor how electrostatic interaction vary with changing of some parameters using Monte Carlo simulation. Note1: That is a project...

01 January 1970 2,551 3 View

Writing an amber force field which fits a branched polymer!

I have a PDB file of a branched polymeric chain, I want to simulate its water solvation using "openMM" My problem is to find an amber force field to fit that branched chain. By the way, I have the...

01 January 1970 3,088 2 View

Radius of gyration of a star-like polymer.

I am working on a star-like polymer, looking for a way to calculate its radius of gyration. I know the following: 1-the total number of atoms(n). 2-the masses of every atom(Ma)) and the total...

01 January 1970 3,742 7 View