Murali Dhar

3 Questions 2 Answers 0 Followers

Questions related from Murali Dhar

How to calculate mmpbsa of a metal containing protein -DNA complex?

I am calculating its MM/PBSA of protein DNA complex having magnisium ion as a part of receptor in which I got this error every time

20 May 2024 3,332 0 View

In the calculation of MM-PBSA by Amber tools, for a protein -DNA complex I found the error,how I resolve this?

I have completed MD simulations of protein -DNA complex upto 200ns using Amber tools but when I am calculating its MM-PBSA I have the same error every time

11 February 2024 2,497 2 View

In equilibration and production output there are some like this"ATTEMPTING M.C BAROSTAT CHANGE: failed".What is the logic beyond it?

In A protein -DNA complex I have completed minimisation heating upto 300 and Density but the error give in case of equilibration and production

02 July 2023 6,931 0 View