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Fix ordering of charges in CHARGE section when using to_prmtop #3728

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Fix ordering of charges in CHARGE section when using to_prmtop

Fix ordering of charges in CHARGE section when using to_prmtop #3728

Run time

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Job Run time
Test on macos-12, Python 3.10, OpenMM true, Pydantic 2, OpenEye true
10m 11s
Test on macos-12, Python 3.10, OpenMM false, Pydantic 2, OpenEye true
13m 2s
Test on macos-12, Python 3.10, OpenMM true, Pydantic 2, OpenEye false
8m 4s
Test on macos-12, Python 3.10, OpenMM false, Pydantic 2, OpenEye false
11m 12s
Test on macos-12, Python 3.11, OpenMM true, Pydantic 2, OpenEye true
9m 39s
Test on macos-12, Python 3.11, OpenMM false, Pydantic 2, OpenEye true
7m 6s
Test on macos-12, Python 3.11, OpenMM true, Pydantic 2, OpenEye false
21m 43s
Test on macos-12, Python 3.11, OpenMM false, Pydantic 2, OpenEye false
9m 29s
Test on ubuntu-latest, Python 3.10, OpenMM true, Pydantic 2, OpenEye true
5m 40s
Test on ubuntu-latest, Python 3.10, OpenMM false, Pydantic 2, OpenEye true
4m 24s
Test on ubuntu-latest, Python 3.10, OpenMM true, Pydantic 2, OpenEye false
4m 56s
Test on ubuntu-latest, Python 3.10, OpenMM false, Pydantic 2, OpenEye false
6m 45s
Test on ubuntu-latest, Python 3.11, OpenMM true, Pydantic 2, OpenEye true
6m 18s
Test on ubuntu-latest, Python 3.11, OpenMM false, Pydantic 2, OpenEye true
4m 47s
Test on ubuntu-latest, Python 3.11, OpenMM true, Pydantic 2, OpenEye false
5m 50s
Test on ubuntu-latest, Python 3.11, OpenMM false, Pydantic 2, OpenEye false
6m 1s
2h 15m 7s