We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent 0a39ad9 commit 53391d9Copy full SHA for 53391d9
pyproject.toml
@@ -122,7 +122,7 @@ strict-openff = [
122
"mdanalysis==2.9.0",
123
"monty==2025.3.3",
124
#"openmm-mdanalysis-reporter==0.1.0",
125
- "openmm-mdanalysis-reporter @ git+https://github.com/sef43/openmm-mdanalysis-reporter.git@86e8bdffb63bbe9b13430ba97e2a67b85c996048"
+ "openmm-mdanalysis-reporter @ git+https://github.com/sef43/openmm-mdanalysis-reporter.git@86e8bdffb63bbe9b13430ba97e2a67b85c996048",
126
"openmm==8.1.1",
127
"pymatgen==2024.11.13", # TODO: open ff is extremely sensitive to pymatgen version
128
"mdanalysis==2.9.0"
0 commit comments