Karin Hasegawa

2 Questions 3 Answers 0 Followers

Questions related from Karin Hasegawa

CHARMM22/CMAP vs. CHARMM36?

I'm currently running a protein simulation on GROMACS. I was originally using CHARMM22/CMAP for the simulation, but with some reasons I decided to switch to CHARMM36. The thing is, I expected...

11 November 2020 9,077 1 View

Best Monte Carlo software for the simulation with a protein made of ~50K atoms?

I'm currently working on a project where I deal with a protein of size ~50K atoms. I want to do a computer simulation with the protein using Monte Carlo instead of MD, and looking for any software...

21 September 2020 7,888 2 View