OpenFreeEnergy / OpenFreeEnergy/openfe_analysis
Ion analysis
Open
@richardjgowers is already working on this.
Since Aug 11, 2023.
- Dominant language
- Python
- Stars
- 20
- Forks
- 2
- PR merge metrics
- No merged PRs in 30d
Description
Type
System sampling check
Question
Is there an ion walking into my ligand?
Tool
MDA?
Contributor guide
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First steps
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- Comment on the issue to say you are picking it up — it saves two people doing the same work.
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Assessment
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