Kalpani Anuradha

3 Questions 1 Answers 0 Followers

Questions related from Kalpani Anuradha

RDF Calculation of water ?

Hi, I have a water simulation box with 116 water molecules. I used TIP4P water model. Now I need to calculate RDF of water-water, RDF of Oxygen-Oxygen and RDF of Hydrogen-Oxygen. I tried to...

06 November 2022 6,361 1 View

Electron Bubble in MD simulations ?

Hello, I need to introduce an electron bubble to the liquid medium in MD simulation. Does anyone know how to introduce electron bubbles to the liquid medium using GROMACS? Cheers, Kal

18 October 2021 2,981 1 View

Can we do molecular dynamics for positrons?

I need to do MD simulation for positrons (antiparticles of electrons). Is it possible to do MD for positrons in the liquid medium?

18 July 2021 6,764 3 View