DOCK_VS - Virtual Screening/Traditional Docking

Tasks	src	Owner	Complete?
verbose ==2 option in dock6 beta	utils.cpp	LEP	yes
Add total conformers samples
Check amide bond rotation during sampling - it's nto a bug it was fixed back in 2014		LEP	yes
Write out # of HBond Donors and Acceptors	conf_gen_dn, library_file	LEP	yes
put in compiler directives to compile with or without timespec	dock.cpp	LEP	yes
Fix bug that prints out 2/3 sigfigs instead of 6 for MW and FC	library_file, filter, amber_typer	LEP	Yes
Fix nano/micro/milisecond timer	dock.cpp	GDRM	Yes
ga flag and verbose == 2 for premin_mol in simplex	simplex.cpp	LEP	Yes
Merge Hackathon changes to beta for clean faster code	pow/memcpy/mpi pointers everywhere	LEP	Yes
Add Tip3p atom type to dock	vdw.defn fingerprint	LEP	Yes
Hide secondary scoring function permanently	lots	LEP	Yes
Merge GIST into latest dock	grid, master_score, score_descriptor, score_gist	LEP	Yes
Add second layer of verbosity	utils, conf_gen_dn so far	LEP	Yes
RDKit integration with DOCK		GDM	Yes
Modify Grid to show error on nonintegrality		BTB	Yes

DOCK_DN - De Novo Design