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refactoring edits

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This commit is contained in:
Steve Plimpton
2022-05-17 14:40:09 -06:00
parent 510e78d4d3
commit e07b46c771
6 changed files with 89 additions and 408 deletions
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examples/amoeba/Compare.sh
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@ -2,51 +2,51 @@
# dimer
kdiff log.water_dimer.amoeba.1 log.water_dimer.amoeba.1.test
kdiff dump.water_dimer.amoeba.1 dump.water_dimer.amoeba.1.test
kdiff.py log.water_dimer.amoeba.1 log.water_dimer.amoeba.1.test
kdiff.py dump.water_dimer.amoeba.1 dump.water_dimer.amoeba.1.test
kdiff log.water_dimer.amoeba.4 log.water_dimer.amoeba.4.test
kdiff dump.water_dimer.amoeba.4 dump.water_dimer.amoeba.4.test
kdiff.py log.water_dimer.amoeba.4 log.water_dimer.amoeba.4.test
kdiff.py dump.water_dimer.amoeba.4 dump.water_dimer.amoeba.4.test
kdiff log.water_dimer.hippo.1 log.water_dimer.hippo.1.test
kdiff dump.water_dimer.hippo.1 dump.water_dimer.hippo.1.test
kdiff.py log.water_dimer.hippo.1 log.water_dimer.hippo.1.test
kdiff.py dump.water_dimer.hippo.1 dump.water_dimer.hippo.1.test
kdiff log.water_dimer.hippo.4 log.water_dimer.hippo.4.test
kdiff dump.water_dimer.hippo.4 dump.water_dimer.hippo.4.test
kdiff.py log.water_dimer.hippo.4 log.water_dimer.hippo.4.test
kdiff.py dump.water_dimer.hippo.4 dump.water_dimer.hippo.4.test
# hexamer
kdiff log.water_hexamer.amoeba.1 log.water_hexamer.amoeba.1.test
kdiff dump.water_hexamer.amoeba.1 dump.water_hexamer.amoeba.1.test
kdiff.py log.water_hexamer.amoeba.1 log.water_hexamer.amoeba.1.test
kdiff.py dump.water_hexamer.amoeba.1 dump.water_hexamer.amoeba.1.test
kdiff log.water_hexamer.amoeba.4 log.water_hexamer.amoeba.4.test
kdiff dump.water_hexamer.amoeba.4 dump.water_hexamer.amoeba.4.test
kdiff.py log.water_hexamer.amoeba.4 log.water_hexamer.amoeba.4.test
kdiff.py dump.water_hexamer.amoeba.4 dump.water_hexamer.amoeba.4.test
kdiff log.water_hexamer.hippo.1 log.water_hexamer.hippo.1.test
kdiff dump.water_hexamer.hippo.1 dump.water_hexamer.hippo.1.test
kdiff.py log.water_hexamer.hippo.1 log.water_hexamer.hippo.1.test
kdiff.py dump.water_hexamer.hippo.1 dump.water_hexamer.hippo.1.test
kdiff log.water_hexamer.hippo.4 log.water_hexamer.hippo.4.test
kdiff dump.water_hexamer.hippo.4 dump.water_dimer.hippo.4.test
kdiff.py log.water_hexamer.hippo.4 log.water_hexamer.hippo.4.test
kdiff.py dump.water_hexamer.hippo.4 dump.water_hexamer.hippo.4.test
# water box
kdiff log.water_box.amoeba.1 log.water_box.amoeba.1.test
kdiff dump.water_box.amoeba.1 dump.water_box.amoeba.1.test
kdiff.py log.water_box.amoeba.1 log.water_box.amoeba.1.test
kdiff.py dump.water_box.amoeba.1 dump.water_box.amoeba.1.test
kdiff log.water_box.amoeba.32 log.water_box.amoeba.32.test
kdiff dump.water_box.amoeba.32 dump.water_box.amoeba.32.test
kdiff.py log.water_box.amoeba.32 log.water_box.amoeba.32.test
kdiff.py dump.water_box.amoeba.32 dump.water_box.amoeba.32.test
kdiff log.water_box.hippo.1 log.water_box.hippo.1.test
kdiff dump.water_box.hippo.1 dump.water_box.hippo.1.test
kdiff.py log.water_box.hippo.1 log.water_box.hippo.1.test
kdiff.py dump.water_box.hippo.1 dump.water_box.hippo.1.test
kdiff log.water_box.hippo.32 log.water_box.hippo.32.test
kdiff dump.water_box.hippo.32 dump.water_box.hippo.32.test
kdiff.py log.water_box.hippo.32 log.water_box.hippo.32.test
kdiff.py dump.water_box.hippo.32 dump.water_box.hippo.32.test
# ubiquitin
kdiff log.ubi.1 log.ubi.1.test
kdiff dump.ubi.1 dump.ubi.1.test
kdiff.py log.ubi.1 log.ubi.1.test
kdiff.py dump.ubi.1 dump.ubi.1.test
kdiff log.ubi.32 log.ubi.32.test
kdiff dump.ubi.32 dump.ubi.32.test
kdiff.py log.ubi.32 log.ubi.32.test
kdiff.py dump.ubi.32 dump.ubi.32.test