Skip to content

0.19.1 Trailblaze fix and restart stability from OpenMMTools

Choose a tag to compare

View all tags
@Lnaden Lnaden released this 28 Nov 01:36
0.19.1
1fc69f6
This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.
GPG key ID: 4AEE18F83AFDEB23
Expired
Verified
Learn about vigilant mode.
  • OpenMMTools 0.13.4 now required to fix issues listed below
  • Restrained atoms to absolute coordinates caused issue in Trailblaze with a Barostat
  • Last restart attempt uses a slower, but more robust restart method
Assets 2
Loading