Abhishek Mukhopadhyay

2 Questions 10 Answers 0 Followers

Questions related from Abhishek Mukhopadhyay

How can I go about visualizing first hydration layer oxygen and hydrogen average density?

I have an MD trajectory file in TIP3P water. I want to use the trajectory to create a 3D visualization of the density map (or average polarization density whichever is easier) of the Oxygen and...

07 July 2014 7,726 5 View

Can anyone suggest software to compute surface charge density of hydrated solute using poisson equation?

Is there any software that provides accurate estimates of surface charge density of a solute in aqueous media using linear poisson equation?

04 April 2014 3,175 6 View