openmm-cookbook icon indicating copy to clipboard operation
openmm-cookbook copied to clipboard

Published 20 hours ago • verified publisher icon openmm

Suggested examples for the cookbook

Open DSKC44 opened this issue 2 years ago • 0 comments

Hello, hoping that it's not too late. I would like to suggest two tasks:

-Setting up implicit solvent calculations with newer forcefields (i.e., ff14SB)

  • How to setup a replica exchange protocol in OpenMM

I would like to take a moment to thank the team of OpenMM devs, you guys keep up the great work!

Regards

DSKC44 avatar Feb 28 '22 16:02 DSKC44