Class ImportSumfile

Method to read all data from current summary/monitor file and return the status and properties of interest in a hash. Available properties are: stage nmol edge1 edge2 edge3 rcut naccpt nreject mxcon ncon t oldE newE rdel adel vdel p nvchg vold vnew nschg scut nschg2 ncent1 ncent2 rdels1 rdels2 adels1 adels2 esold esone wimax wkc exxold exxnew dielec cutoffe ebndol ebndne eangol eangne edihol edihne enbol enbne ebcold ebcnew nresdu nfixrs coul14 vdw14 cutnb rc0 rc1 rc2 ave_total_energy ave_total_cp ave_alpha ave_kappa ave_volume ave_solu_solv_energy_ref_solute ave_solu_solv_energy_1st_solute_pert ave_solu_solv_energy_2nd_solute_pert ave_solu_solu_energy_ref_solute ave_solu_solu_energy_1st_solute_pert ave_solu_solu_energy_2nd_solute_pert ave_bnd_energy_ref_solute ave_bnd_energy_1st_solute_pert ave_bnd_energy_2nd_solute_pert ave_ang_energy_ref_solute ave_ang_energy_1st_solute_pert ave_ang_energy_2nd_solute_pert ave_tor_energy_ref_solute ave_tor_energy_1st_solute_pert ave_tor_energy_2nd_solute_pert ave_nb_energy_ref_solute ave_nb_energy_1st_solute_pert ave_nb_energy_2nd_solute_pert ave_cons_energy_ref_solute ave_cons_energy_1st_solute_pert ave_cons_energy_2nd_solute_pert ave_delta_1st_solute_pert ave_delta_2nd_solute_pert ave_delG_1st_solute_pert ave_delG_2nd_solute_pert ave_delH_1st_solute_pert ave_delH_2nd_solute_pert ave_delS_1st_solute_pert ave_delS_2nd_solute_pert soluteN soluteN_solvent_vdw_energy soluteN_solvent_coul_energy soluteN_solvent_total_energy soluteN_solute_vdw_energy soluteN_solute_coul_energy soluteN_solute_total_energy soluteN_bnd_energy soluteN_ang_energy soluteN_tor_energy soluteN_nb_energy soluteN_total_energy ave_dipole_ref_soluteN ave_dipole_1st_pert_soluteN ave_dipole_2nd_pert_soluteN ave_donor_hbonds_soluteN_solv ave_acc_hbonds_soluteN_solv ave_donor_hbonds_soluteN_solu ave_acc_hbonds_soluteN_solu nattmp_solu1 naccep_solu1 nattmp_solu2 naccep_solu2

total_energy_blocks inter_cp volume enthalpy kappa alpha exx esx total_energy_stdev inter_cp_stdev volume_stdev enthalpy_stdev kappa_stdev alpha_stdev exx_stdev esx_stdev total_energy_ave inter_cp_ave volume_ave enthalpy_ave kappa_ave alpha_ave exx_ave exx1 esx1 delg1 exx2 esx2 delg2 exx1_stdev esx1_stdev delg1_stdev exx2_stdev esx2_stdev delg2_stdev exx1_ave esx1_ave delg1_ave exx2_ave esx2_ave delg2_ave ebnd_ref ebnd_1st_pert ebnd_2nd_pert eang_ref eang_1st_pert eang_2nd_pert ebnd_ref_stdev ebnd_1st_pert_stdev ebnd_2nd_pert_stdev eang_ref_stdev eang_1st_pert_stdev eang_2nd_pert_stdev ebnd_ref_ave ebnd_1st_pert_ave ebnd_2nd_pert_ave eang_ref_ave eang_1st_pert_ave eang_2nd_pert_ave etor_ref etor_1st_pert etor_2nd_pert enb_ref enb_1st_pert enb_2nd_pert etor_ref_stdev etor_1st_pert_stdev etor_2nd_pert_stdev enb_ref_stdev enb_1st_pert_stdev enb_2nd_pert_stdev etor_ref_ave etor_1st_pert_ave etor_2nd_pert_ave enb_ref_ave enb_1st_pert_ave enb_2nd_pert_ave sasa volume phob_sasa philic_sasa arom_sasa weak_polar_sasa sasa_stdev volume_stdev phob_sasa_stdev philic_sasa_stdev arom_sasa_stdev weak_polar_sasa_stdev sasa_ave volume_ave phob_sasa_ave philic_sasa_ave arom_sasa_ave weak_polar_sasa_ave esx_soluteN_coul esx_soluteN_vdw exx_soluteN_coul exx_soluteN_vdw esx_soluteN_coul_stdev esx_soluteN_vdw_stdev exx_soluteN_coul_stdev exx_soluteN_vdw_stdev esx_soluteN_coul_ave esx_soluteN_vdw_ave exx_soluteN_coul_ave exx_soluteN_vdw_ave delg_1st_pert delh_1st_pert dels_1st_pert delg_2nd_pert delh_2nd_pert dels_2nd_pert delg_1st_pert_stdev delh_1st_pert_stdev dels_1st_pert_stdev delg_2nd_pert_stdev delh_2nd_pert_stdev dels_2nd_pert_stdev delg_1st_pert_ave delh_1st_pert_ave dels_1st_pert_ave delg_2nd_pert_ave delh_2nd_pert_ave dels_2nd_pert_ave