Removed clang-specific directives
Removed the try-catch block of ligand docking
Removed two redundant parenthesis
Removed hydrogen bond output
Removed parsing output/*.pdbqt after docking. Saved summary on the fly. Retained only the best free energy value
Removed gzip and bzip2 support
Reduced default_num_mc_tasks from 8192 to 2048 for fast debugging
Removed the force option
Removed a reundant parenthesis
Removed the hbond class
Removed intra-molecular free energy f in result
Simplified the validation of receptor and ligand_folder. Removed the validation of log_path
Removed the typedef ot mt19937eng
Inlined the sqr template function defined in common.h
Inlined the eq function defined in common.h