Changdev G. Gadhe

2 Questions 8 Answers 0 Followers

Questions related from Changdev G. Gadhe

How can I calulate the concentration of a particular solute in MD simulation system?

Hello Experts. I would like to calculate the concentration of a solute (GABA) inside MD simulation cell which is already explicitly solvated with water and counter ions (NaCl). 0.15 M NaCl is...

04 April 2018 8,292 5 View

How to visualize h-bonds between ligand-protein simulation trajectory in VMD?

I performed MD simulation of ligand-protein complex in Gromacs and now I would like to visualize the h-bonds formed between ligand-protein over the course of MD simulation. I tried to set...

01 January 2018 6,347 7 View