Munazzah Fatima Ansari

3 Questions 5 Answers 0 Followers

Questions related from Munazzah Fatima Ansari

Query regarding Temperature Replica Exchange Molecular Dynamics?

What happens in the simulation, if we have replicas at different temperature. Furthermore, one replica in this set never returns to its initial temperature. How we will get the probability...

23 November 2023 4,071 0 View

How to solve the problem "RESTARTED DUE to LINMIN FAILURE"?

Hi, I am using AMBER Software for Molecular Dynamics Simulation. I was trying to minimize the system with SHAKE algorithm, but the minimization calculation has always ended up with "RESTARTED DUE...

14 December 2022 9,371 2 View

How do i find out about replica exchange at various temperature?

Hi, I 'm new to MD simulation. I was performing replica exchange method from Amber tutorial. In the tutorial developers uses Amber16 and they get the remd.mdcrd* files in human readable format...

09 November 2022 4,570 1 View