Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Add lammps water example #3

Draft
wants to merge 4 commits into
base: master
Choose a base branch
from

Conversation

rmatsum836
Copy link

LAMMPS example of water using TIP3P. WIP

Parashara Shamaprasad and others added 4 commits March 18, 2020 11:12
@rmatsum836
Copy link
Author

I changed the way that connection_members are added to each Angle, so now the angles are being written out correctly to the LAMMPS file. The system is now running and looks reasonable, but the O-O RDF I'm trying to calculate still looks off.

image

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant