# configure pyDock 
# 
# Yong Zhao, TSRI, La Jolla. 2004
# yongzhao@scripps.edu
#
# Note: all the lines begin with '#' will be ignored.

# name of XML desicrption of the docking system
XML = '1hvr.xml'


# GA settings , one line per attribute
pop_size = 50
p_replace = 0.9
p_cross = 0.8
gens = 10
p_mutate = 'gene'
p_deviation =  1e-6
rand_seed = 0
rand_alg = 'CMRG'

# calculate the Internal Energy?
calcIE = True

# C++ scorer 
#scorerVersion = "C++"

# python scorer
scorerVersion = "Python"

# internal energy (autodock) of receptor, C++
#scorerVersion = "IEC++"

# amber force field
#scorerVersion = "Amber"