53 lines
1.7 KiB
Bash
53 lines
1.7 KiB
Bash
# compare test runs to original runs
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# dimer
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kdiff.py log.water_dimer.amoeba.1 log.water_dimer.amoeba.1.test
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kdiff.py dump.water_dimer.amoeba.1 dump.water_dimer.amoeba.1.test
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kdiff.py log.water_dimer.amoeba.4 log.water_dimer.amoeba.4.test
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kdiff.py dump.water_dimer.amoeba.4 dump.water_dimer.amoeba.4.test
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kdiff.py log.water_dimer.hippo.1 log.water_dimer.hippo.1.test
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kdiff.py dump.water_dimer.hippo.1 dump.water_dimer.hippo.1.test
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kdiff.py log.water_dimer.hippo.4 log.water_dimer.hippo.4.test
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kdiff.py dump.water_dimer.hippo.4 dump.water_dimer.hippo.4.test
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# hexamer
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kdiff.py log.water_hexamer.amoeba.1 log.water_hexamer.amoeba.1.test
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kdiff.py dump.water_hexamer.amoeba.1 dump.water_hexamer.amoeba.1.test
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kdiff.py log.water_hexamer.amoeba.4 log.water_hexamer.amoeba.4.test
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kdiff.py dump.water_hexamer.amoeba.4 dump.water_hexamer.amoeba.4.test
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kdiff.py log.water_hexamer.hippo.1 log.water_hexamer.hippo.1.test
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kdiff.py dump.water_hexamer.hippo.1 dump.water_hexamer.hippo.1.test
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kdiff.py log.water_hexamer.hippo.4 log.water_hexamer.hippo.4.test
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kdiff.py dump.water_hexamer.hippo.4 dump.water_hexamer.hippo.4.test
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# water box
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kdiff.py log.water_box.amoeba.1 log.water_box.amoeba.1.test
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kdiff.py dump.water_box.amoeba.1 dump.water_box.amoeba.1.test
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kdiff.py log.water_box.amoeba.32 log.water_box.amoeba.32.test
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kdiff.py dump.water_box.amoeba.32 dump.water_box.amoeba.32.test
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kdiff.py log.water_box.hippo.1 log.water_box.hippo.1.test
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kdiff.py dump.water_box.hippo.1 dump.water_box.hippo.1.test
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kdiff.py log.water_box.hippo.32 log.water_box.hippo.32.test
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kdiff.py dump.water_box.hippo.32 dump.water_box.hippo.32.test
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# ubiquitin
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kdiff.py log.ubi.1 log.ubi.1.test
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kdiff.py dump.ubi.1 dump.ubi.1.test
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kdiff.py log.ubi.32 log.ubi.32.test
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kdiff.py dump.ubi.32 dump.ubi.32.test
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