Manmeet Singh

4 Questions 15 Answers 0 Followers

Questions related from Manmeet Singh

How to assess the convergence of simulation?

I have simulated a protein and a protein ligand simulation for 100 ns each. Now I want to know if the simulation is converged. For that I have learnt that block averaging is a good method. Can...

06 June 2016 6,489 11 View

How to plot contact maps between protein side chain atoms and ligand heavy atoms?

Hello everyone. I am using Gromacs for protein-ligand MD. For detailed analysis i need to plot contact maps between protein side chain heavy atoms and heavy atoms but using gmx mdmat I was able to...

04 April 2016 7,219 5 View

How to calculate molecular weight of doped graphene sample?

I have prepared Graphene oxide sample by modified Hummer's method doped it to reduce it. Now I want to make nanocomposite and for that purpose I need to calculate its molecular weight by any means...

02 February 2016 8,963 3 View

I want calculate valance band energy of graphene and boron doped reduced graphene with XPS .

calculation of valance band energy from XPS analysis

01 January 1970 7,235 3 View