dipolex charge         0.00000        0.00000
 Miller        5       1       0 code        7
bulk nat1      600 area       96.348355 solvent accessible area      2248.61513 roughness  23.3
dipolex charge         0.37098        0.00000
bfgs invalid           0.261803     -13341.255007     -13371.527978      -2218.410959      -2223.444810
dipolex charge        -0.12035        0.00000
newt valid            0.000018    -13371.527978    -13383.739960     -2223.444810     -2225.475443
boundary_energy       -69.57884
solvent accessible area      2312.40994  roughness        24.00000
stop