LICENSE
MANIFEST.in
README.md
setup.py
GAML/__init__.py
GAML/charge_gen_range.py
GAML/charge_gen_scheme.py
GAML/defaults.py
GAML/file_gen_gaussian.py
GAML/file_gen_gromacstop.py
GAML/file_gen_mdpotential.py
GAML/file_gen_scripts.py
GAML/fss_analysis.py
GAML/function_gen_range.py
GAML/function_prolist.py
GAML/functions.py
GAML/gaml.py
GAML/gaml_autotrain.py
GAML/main.py
GAML/parsecmd.py
GAML/parsefile.py
GAML.egg-info/PKG-INFO
GAML.egg-info/SOURCES.txt
GAML.egg-info/dependency_links.txt
GAML.egg-info/entry_points.txt
GAML.egg-info/requires.txt
GAML.egg-info/top_level.txt
GAML/scripts/GAML-BASH-Interface.sh
GAML/scripts/bash_DES.sh
GAML/scripts/bash_GAML.sh
GAML/scripts/bash_analysesDES.sh
GAML/scripts/bash_genTopfiles.sh
GAML/scripts/bash_rmfilesIndividual.sh
GAML/scripts/bash_visAdd.sh
GAML/scripts/bash_visAnalysisByFolder.sh
GAML/scripts/py_bool_repeatsChk.py
doc/GAML.pdf
doc/Proof_for_Simulation_Time.pdf
sample/README.md
sample/test_FSS_analysis/BPYR_Charge_HvapMAE_1.txt
sample/test_FSS_analysis/FSS_analysis-1.png
sample/test_FSS_analysis/FSS_analysis-1.txt
sample/test_FSS_analysis/settingfile.txt
sample/test_GAML/BPYR_ChargeGenRange_BF4_ESP.txt
sample/test_GAML/BPYR_Charge_HvapMAE_1.txt
sample/test_GAML/ChargeRandomGen-1.txt
sample/test_GAML/settingfile.txt
sample/test_charge_gen_range/BPYR_BF4_charge_collection.txt
sample/test_charge_gen_range/ChargeGenRange.txt
sample/test_charge_gen_range/settingfile.txt
sample/test_charge_gen_scheme/BPYR_ChargeGenRange_BF4_ESP.txt
sample/test_charge_gen_scheme/ChargeRandomGen.txt
sample/test_charge_gen_scheme/settingfile.txt
sample/test_file_gen_gaussian/BPYR_BF4_prod_10ns_trr.pdb
sample/test_file_gen_gaussian/GaussInput-1.com
sample/test_file_gen_gaussian/GaussInput-2.com
sample/test_file_gen_gaussian/GaussInput_namelist-1.txt
sample/test_file_gen_gaussian/bpyr_bf4_scale08.top
sample/test_file_gen_gaussian/settingfile.txt
sample/test_file_gen_gromacstop/BPYR_anion_ChargePairs.txt
sample/test_file_gen_gromacstop/GenGromacsTopfile-1.top
sample/test_file_gen_gromacstop/GenGromacsTopfile-2.top
sample/test_file_gen_gromacstop/GenGromacsTopfile_NameList-1.txt
sample/test_file_gen_gromacstop/bpyr_bf4_scale08.top
sample/test_file_gen_gromacstop/settingfile.txt