Comments (4)
hannahbaumann
commented on July 30, 2024
1
I had forgotten that Mike actually already did what I think might be best:
results_p38_0/edge_AB_complex
results_p38_0/edge_AB_complex.json
results_p38_0/edge_AB_solvent
results_p38_0/edge_AB_solvent.json
results_p38_0/edge_CD_complex
...
results_p38_1/edge_AB_complex
results_p38_1/edge_AB_complex.json
results_p38_1/edge_AB_solvent
results_p38_1/edge_AB_solvent.json
results_p38_1/edge_CD_complex
...
results_p38_2/edge_AB_complex
results_p38_2/edge_AB_complex.json
results_p38_2/edge_AB_solvent
results_p38_2/edge_AB_solvent.json
results_p38_2/edge_CD_complex
...
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IAlibay
commented on July 30, 2024
@mikemhenry @RiesBen @hannahbaumann as discussed in today's call, please put together your ideas on how you would like this to go and/or how you have been doing this until now.
This includes, but is not limited to, any scripts you have been using (e.g. Mike's 1.0 QA script).
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IAlibay
commented on July 30, 2024
An additional task here is to check how the behaviour will go if you call openfe gather on a single leg with only one repeat. I can take this on for tomorrow morning.
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hannahbaumann
commented on July 30, 2024
Are there other options?
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Related Issues (20)
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