Denish Poudyal

3 Questions 6 Answers 0 Followers

Questions related from Denish Poudyal

How can I employ gpu in NAMD simulation?

I have a system with NVIDIA's Quadra K420 GPU & 12 CPU cores, and while using the cmd like namd2 +idlepoll +p10 I am still seeing GPU usage around 1 % and CPU usage around...

21 February 2019 5,025 6 View

In NAMD simulation of proteins, how do we choose the MSM min/max values for {x y z} coordinates?

Is there any particular method to select # Electrostatic Force Evaluation MSM on MSMGridSpacing 2.5 ;# very sensitive to performance, use this default MSMxmin...

07 February 2019 2,026 0 View

Although both Pymol & VMD are essentially a software for molecule viewing, what is their distinctive feature?

Eventhough I have been using both but what is lacking with VMD so that Pymol should be used or vice-versa....so that I can be able to focus on what I wanted to do.

01 January 2019 3,450 4 View