yank - Revision 1182: /proof-of-concept/kinases/simulations/Src-bosutinib/stark

• ..
• Production.py
• README
• README.webserver
• amber.py
• analyze.py
• analyze_multiple.py
• bosutinib-in-solution.png
• bosutinib.crd
• bosutinib.pdb
• bosutinib.prmtop
• efieldreporter.py
• efieldreporter_h5.py
• efieldreporter_jdc.py
• exportfig.m
• index.html
• mutate.py
• mvapich2.pbs
• netcdfreporter.py
• pdbreporter.py
• plot_histograms.m
• references/
• run-bluewaters.tcsh
• src-bosutinib-efield.pdf
• stark-driver.py
• stark.py
• stark_mutations.py
• starkshiftreporter.py
• statedatareporter.py
• statistical_inefficiency.m
• style.css
• summary.txt