Aarti Kumari

3 Questions 1 Answers 0 Followers

Questions related from Aarti Kumari

Could someone please suggest me any method to get the list of buried water and surface water in md simulation output files?

my system having proteins , organic molecule and water

13 September 2023 5,561 1 View

Hello Reseachers , can you please suggest me some methods or anything to analyse the clustering of organic molecules in MD simulation?

I did the MD simulations of my interest of protein with some organic molcules like Riboflavain and they making cluster near the protein and i want to find different cluster size vs probability...

02 May 2023 8,548 2 View

How we can plot the Hydrogen bond vs time graph in vmd tk consol from namd .dcd files?

Tcl script is needed. I appreciate any help you can provide.

31 March 2023 3,955 1 View