Abhinay Thakur

2 Questions 8 Answers 0 Followers

Questions related from Abhinay Thakur

What should be the required RAM for the size of the atoms (thousands to crores or millions) for performing MDS in Gromacs?

Since atom size plays one of the important roles while performing Molecular Dynamic Simulations. Does anybody know what should be the required RAM of the processor based on the atom size of the...

08 June 2021 6,355 6 View

How to sort out the Segmentation Fault (Core Dumped) Error while performing EM steps in Gromacs?

I am performing the EM steps (Gromacs Version 2021.1) but whenever I do so, I am getting Segmentation Fault (Core Dumped) Error. I have also even tried to reduce the parameter emtol = 100.0...

17 May 2021 5,810 5 View