Fix e_factor implementation
Open
- Dominant language
- Python
- Stars
- 2
- Forks
- 5
- PR merge metrics
- No merged PRs in 30d
Description
Right now, the e_factor variable isn't actually doing anything. Based on how its used in planckton, I think all that is happening is that it is scaling the non-bonded LJ params. If this is the case, then we can iterate over the parmed object and scale them there. Need to double check first.
Contributor guide
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Research direction
Locate the e_factor implementation and compare its use with planckton, as described in the issue. Verify whether it should scale non-bonded Lennard-Jones parameters on the ParmEd object; done means the confirmed behavior is implemented and checked against the existing behavior.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- backend
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 35/100