Name	Name	Last commit message	Last commit date
Latest commit Meganwu Add files via upload Sep 27, 2020 7abd556 · Sep 27, 2020 History 2 Commits
MDynamic	MDynamic	Add files via upload	Sep 27, 2020
LICENSE	LICENSE	Initial commit	Sep 27, 2020
README.md	README.md	Initial commit	Sep 27, 2020
pmemd.sh	pmemd.sh	Add files via upload	Sep 27, 2020
step1-batch-remove-water.py	step1-batch-remove-water.py	Add files via upload	Sep 27, 2020
step1-remove-water.ipynb	step1-remove-water.ipynb	Add files via upload	Sep 27, 2020
step2-ligand.sh	step2-ligand.sh	Add files via upload	Sep 27, 2020
step3-combine-l-p.py	step3-combine-l-p.py	Add files via upload	Sep 27, 2020
step4-leap.sh	step4-leap.sh	Add files via upload	Sep 27, 2020
step4-result-analysis.sh	step4-result-analysis.sh	Add files via upload	Sep 27, 2020
step5-md.sh	step5-md.sh	Add files via upload	Sep 27, 2020
step6-md-cal.sh	step6-md-cal.sh	Add files via upload	Sep 27, 2020
step7-mmpbsa-prepare.sh	step7-mmpbsa-prepare.sh	Add files via upload	Sep 27, 2020
step8-mmpbsa-water.sh	step8-mmpbsa-water.sh	Add files via upload	Sep 27, 2020

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