yank - Revision 1182: /proof-of-concept/yank-flat

• ..
• AlchemicalFactory.C
• AlchemicalFactory.h
• CMakeL
• CMakeLists.txt
• README
• alanine_set/
• amber.C
• amber.h
• analyze-dataset.py
• analyze.p
• analyze.pbs
• analyze.py
• analyze_hydration.py
• analyze_original.py
• cmake_install.cmake
• common.C
• common.h
• concurrent_queue.h
• fep.C
• fep.h
• forcecheck.C
• forcecheck.h
• inputs/
• new.txt
• parm.C
• parm.h
• preliminary-results.dat
• prmtop
• restraints.C
• restraints.h
• results.m
• results.txt
• results_fkbp.m
• rng.C
• rng.h
• rngtest.C
• spear.m
• stderr.1
• stdout.1
• strlib.C
• strlib.h
• submit-jobs.py
• submit-jobs_original.py
• testrun.sh
• u_n.out
• utils.h
• yank.cpp