Skip to content

Fix bug with adding positional restraints for OpenMM (ParmEd#1301)#1302

Merged
swails merged 1 commit intoParmEd:masterfrom
nffaruk:master
Apr 1, 2023
Merged

Fix bug with adding positional restraints for OpenMM (ParmEd#1301)#1302
swails merged 1 commit intoParmEd:masterfrom
nffaruk:master

Conversation

@nffaruk
Copy link
Contributor

@nffaruk nffaruk commented Apr 1, 2023

Closes #1301 by calling the coordinate array from the Rst7 object.

@swails
Copy link
Contributor

swails commented Apr 1, 2023

Thanks!

@swails swails merged commit 3f68799 into ParmEd:master Apr 1, 2023
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.

Error when using restraints with OpenMM within ParmEd

2 participants