Muhammad Shadman

2 Questions 6 Answers 0 Followers

Questions related from Muhammad Shadman

How to generate coarse grained force field parameters (.ito and .top files) for Gold nanoparticles?

I have generated a full atomistic Au nanorod. Also it requires to use CG simulation. I cannot find any .ito and .top files for it based on Martini FF. Is there anybody help me? Cheers

28 December 2023 7,007 1 View

How can it visualize hybridization of atoms in graphene in case of applying periodic-DFT, for instance with SIESTA?

We have been used periodic-DFT to calculate magnetic and electronic impact of mono-vacancy on defective graphene properties!!! Now, we need to visual hybridization atoms in new created holes!!!...

24 May 2017 9,936 2 View