SimRNA (c) 2009-2024 Genesilico, ver. 3.33 Replica Exchange Monte Carlo Method is SWITCHED ON 10 replicas were ordered .reading parameteres setting random seed = 1 initiating replica nr: 1 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa: 1 curr_seq: _caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 101 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.900 successfully initiated initiating replica nr: 2 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa: 1 curr_seq: _caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 101 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.950 successfully initiated initiating replica nr: 3 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa: 1 curr_seq: _caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 101 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.000 successfully initiated initiating replica nr: 4 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa: 1 curr_seq: _caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 101 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.050 successfully initiated initiating replica nr: 5 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa: 1 curr_seq: _caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 101 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.100 successfully initiated initiating replica nr: 6 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa: 1 curr_seq: _caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 101 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.150 successfully initiated initiating replica nr: 7 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa: 1 curr_seq: _caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 101 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.200 successfully initiated initiating replica nr: 8 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa: 1 curr_seq: _caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 101 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.250 successfully initiated initiating replica nr: 9 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa: 1 curr_seq: _caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 101 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.300 successfully initiated initiating replica nr: 10 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tbroco_test-0ea15655/inputs/seq.fa: 1 curr_seq: _caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: caucaucaucaucaucauugaguuugcggagacggucggguccagauauucguaucugucgaguagagugugggcuccgcaaacggucuccagcuuggcug RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 101 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.350 successfully initiated .calculating program compiled for parallel execution of replicas in Replica Exchange MC method program can utilize maximum as many CPU cores as replicas, in this case: 10 ================================== temp. level: 1, replica: 1 ===================================== Write number: 1 Temperature: 0.900000 Total energy: -406.701276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.701276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.701276 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -406.701276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.701276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.701276 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -406.701276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.701276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.701276 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -406.701276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.701276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.701276 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -406.701276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.701276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.701276 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -406.701276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.701276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.701276 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -406.701276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.701276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.701276 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -406.701276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.701276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.701276 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -406.701276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.701276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.701276 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -406.701276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.701276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.701276 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -573.407690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.407690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.407690 (E_RNA) where: Base-Base interactions energy: -277.809 where: short stacking energy: -210.258 Base-Backbone interact. energy: -0.334 local terms energy: -295.264792 where: bonds (distance) C4'-P energy: -66.932 bonds (distance) P-C4' energy: -68.163 flat angles C4'-P-C4' energy: -65.935 flat angles P-C4'-P energy: -43.261 tors. eta vs tors. theta energy: -50.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -506.759411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.759411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.759411 (E_RNA) where: Base-Base interactions energy: -219.465 where: short stacking energy: -214.188 Base-Backbone interact. energy: -0.297 local terms energy: -286.997297 where: bonds (distance) C4'-P energy: -62.971 bonds (distance) P-C4' energy: -70.597 flat angles C4'-P-C4' energy: -62.206 flat angles P-C4'-P energy: -40.261 tors. eta vs tors. theta energy: -50.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -475.586455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.586455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.586455 (E_RNA) where: Base-Base interactions energy: -186.827 where: short stacking energy: -185.509 Base-Backbone interact. energy: -0.181 local terms energy: -288.578146 where: bonds (distance) C4'-P energy: -54.844 bonds (distance) P-C4' energy: -72.493 flat angles C4'-P-C4' energy: -71.418 flat angles P-C4'-P energy: -46.610 tors. eta vs tors. theta energy: -43.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -460.951091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.951091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.951091 (E_RNA) where: Base-Base interactions energy: -199.992 where: short stacking energy: -190.101 Base-Backbone interact. energy: 1.399 local terms energy: -262.357217 where: bonds (distance) C4'-P energy: -50.011 bonds (distance) P-C4' energy: -56.520 flat angles C4'-P-C4' energy: -61.855 flat angles P-C4'-P energy: -40.658 tors. eta vs tors. theta energy: -53.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -406.207987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.207987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.207987 (E_RNA) where: Base-Base interactions energy: -13.212 where: short stacking energy: -13.212 Base-Backbone interact. energy: -0.000 local terms energy: -392.996261 where: bonds (distance) C4'-P energy: -98.013 bonds (distance) P-C4' energy: -91.248 flat angles C4'-P-C4' energy: -73.860 flat angles P-C4'-P energy: -84.753 tors. eta vs tors. theta energy: -45.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -405.919834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.919834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.919834 (E_RNA) where: Base-Base interactions energy: -13.212 where: short stacking energy: -13.212 Base-Backbone interact. energy: -0.000 local terms energy: -392.708108 where: bonds (distance) C4'-P energy: -98.013 bonds (distance) P-C4' energy: -91.248 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -84.753 tors. eta vs tors. theta energy: -45.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -405.957077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.957077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.957077 (E_RNA) where: Base-Base interactions energy: -13.212 where: short stacking energy: -13.212 Base-Backbone interact. energy: -0.000 local terms energy: -392.745350 where: bonds (distance) C4'-P energy: -98.013 bonds (distance) P-C4' energy: -91.248 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -84.790 tors. eta vs tors. theta energy: -45.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -405.957077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.957077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.957077 (E_RNA) where: Base-Base interactions energy: -13.212 where: short stacking energy: -13.212 Base-Backbone interact. energy: -0.000 local terms energy: -392.745350 where: bonds (distance) C4'-P energy: -98.013 bonds (distance) P-C4' energy: -91.248 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -84.790 tors. eta vs tors. theta energy: -45.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -405.957077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.957077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.957077 (E_RNA) where: Base-Base interactions energy: -13.212 where: short stacking energy: -13.212 Base-Backbone interact. energy: -0.000 local terms energy: -392.745350 where: bonds (distance) C4'-P energy: -98.013 bonds (distance) P-C4' energy: -91.248 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -84.790 tors. eta vs tors. theta energy: -45.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -405.957077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.957077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.957077 (E_RNA) where: Base-Base interactions energy: -13.212 where: short stacking energy: -13.212 Base-Backbone interact. energy: -0.000 local terms energy: -392.745350 where: bonds (distance) C4'-P energy: -98.013 bonds (distance) P-C4' energy: -91.248 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -84.790 tors. eta vs tors. theta energy: -45.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -681.586753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.586753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.586753 (E_RNA) where: Base-Base interactions energy: -377.418 where: short stacking energy: -256.110 Base-Backbone interact. energy: -0.483 local terms energy: -303.685298 where: bonds (distance) C4'-P energy: -64.137 bonds (distance) P-C4' energy: -70.460 flat angles C4'-P-C4' energy: -59.354 flat angles P-C4'-P energy: -47.601 tors. eta vs tors. theta energy: -62.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -513.022843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.022843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.022843 (E_RNA) where: Base-Base interactions energy: -225.825 where: short stacking energy: -197.052 Base-Backbone interact. energy: 0.665 local terms energy: -287.863031 where: bonds (distance) C4'-P energy: -64.425 bonds (distance) P-C4' energy: -72.076 flat angles C4'-P-C4' energy: -61.136 flat angles P-C4'-P energy: -44.030 tors. eta vs tors. theta energy: -46.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -531.090466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.090466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.090466 (E_RNA) where: Base-Base interactions energy: -243.099 where: short stacking energy: -192.650 Base-Backbone interact. energy: 2.501 local terms energy: -290.492223 where: bonds (distance) C4'-P energy: -61.979 bonds (distance) P-C4' energy: -68.030 flat angles C4'-P-C4' energy: -70.389 flat angles P-C4'-P energy: -35.723 tors. eta vs tors. theta energy: -54.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -535.428793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.428793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.428793 (E_RNA) where: Base-Base interactions energy: -269.921 where: short stacking energy: -193.113 Base-Backbone interact. energy: -0.576 local terms energy: -264.931798 where: bonds (distance) C4'-P energy: -59.935 bonds (distance) P-C4' energy: -66.931 flat angles C4'-P-C4' energy: -53.905 flat angles P-C4'-P energy: -39.320 tors. eta vs tors. theta energy: -44.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -502.363949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.363949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.363949 (E_RNA) where: Base-Base interactions energy: -253.937 where: short stacking energy: -155.439 Base-Backbone interact. energy: 0.673 local terms energy: -249.099869 where: bonds (distance) C4'-P energy: -65.936 bonds (distance) P-C4' energy: -56.090 flat angles C4'-P-C4' energy: -53.739 flat angles P-C4'-P energy: -39.811 tors. eta vs tors. theta energy: -33.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -379.375231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.375231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.375231 (E_RNA) where: Base-Base interactions energy: -173.877 where: short stacking energy: -150.535 Base-Backbone interact. energy: -0.878 local terms energy: -204.620424 where: bonds (distance) C4'-P energy: -53.532 bonds (distance) P-C4' energy: -39.932 flat angles C4'-P-C4' energy: -55.084 flat angles P-C4'-P energy: -40.214 tors. eta vs tors. theta energy: -15.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -355.078491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.078491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.078491 (E_RNA) where: Base-Base interactions energy: -140.204 where: short stacking energy: -123.635 Base-Backbone interact. energy: -0.532 local terms energy: -214.342304 where: bonds (distance) C4'-P energy: -55.278 bonds (distance) P-C4' energy: -62.245 flat angles C4'-P-C4' energy: -61.788 flat angles P-C4'-P energy: -32.754 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -335.398959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.398959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.398959 (E_RNA) where: Base-Base interactions energy: -141.929 where: short stacking energy: -107.006 Base-Backbone interact. energy: -0.855 local terms energy: -192.615286 where: bonds (distance) C4'-P energy: -52.800 bonds (distance) P-C4' energy: -70.727 flat angles C4'-P-C4' energy: -41.277 flat angles P-C4'-P energy: -18.709 tors. eta vs tors. theta energy: -9.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -309.043989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.043989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.043989 (E_RNA) where: Base-Base interactions energy: -116.317 where: short stacking energy: -83.089 Base-Backbone interact. energy: -1.059 local terms energy: -191.667420 where: bonds (distance) C4'-P energy: -58.805 bonds (distance) P-C4' energy: -55.403 flat angles C4'-P-C4' energy: -48.460 flat angles P-C4'-P energy: -37.285 tors. eta vs tors. theta energy: 8.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -256.125148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.125148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.125148 (E_RNA) where: Base-Base interactions energy: -86.170 where: short stacking energy: -81.404 Base-Backbone interact. energy: -1.659 local terms energy: -168.295330 where: bonds (distance) C4'-P energy: -51.511 bonds (distance) P-C4' energy: -63.246 flat angles C4'-P-C4' energy: -44.906 flat angles P-C4'-P energy: -21.013 tors. eta vs tors. theta energy: 12.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -711.979389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.979389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.979389 (E_RNA) where: Base-Base interactions energy: -409.973 where: short stacking energy: -260.871 Base-Backbone interact. energy: 0.049 local terms energy: -302.055562 where: bonds (distance) C4'-P energy: -57.137 bonds (distance) P-C4' energy: -66.883 flat angles C4'-P-C4' energy: -69.375 flat angles P-C4'-P energy: -45.450 tors. eta vs tors. theta energy: -63.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -612.283782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.283782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.283782 (E_RNA) where: Base-Base interactions energy: -352.118 where: short stacking energy: -203.783 Base-Backbone interact. energy: 0.282 local terms energy: -260.448454 where: bonds (distance) C4'-P energy: -59.989 bonds (distance) P-C4' energy: -58.677 flat angles C4'-P-C4' energy: -61.650 flat angles P-C4'-P energy: -38.852 tors. eta vs tors. theta energy: -41.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -601.572097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.572097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.572097 (E_RNA) where: Base-Base interactions energy: -315.952 where: short stacking energy: -207.122 Base-Backbone interact. energy: -1.320 local terms energy: -284.299489 where: bonds (distance) C4'-P energy: -64.076 bonds (distance) P-C4' energy: -68.044 flat angles C4'-P-C4' energy: -67.904 flat angles P-C4'-P energy: -36.909 tors. eta vs tors. theta energy: -47.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -602.052439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.052439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.052439 (E_RNA) where: Base-Base interactions energy: -321.353 where: short stacking energy: -209.416 Base-Backbone interact. energy: -2.950 local terms energy: -277.748815 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -60.778 flat angles C4'-P-C4' energy: -57.300 flat angles P-C4'-P energy: -44.684 tors. eta vs tors. theta energy: -49.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -501.950667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.950667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.950667 (E_RNA) where: Base-Base interactions energy: -249.802 where: short stacking energy: -161.696 Base-Backbone interact. energy: -0.830 local terms energy: -251.318667 where: bonds (distance) C4'-P energy: -55.418 bonds (distance) P-C4' energy: -60.556 flat angles C4'-P-C4' energy: -61.814 flat angles P-C4'-P energy: -43.960 tors. eta vs tors. theta energy: -29.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -446.672565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.672565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.672565 (E_RNA) where: Base-Base interactions energy: -217.869 where: short stacking energy: -144.854 Base-Backbone interact. energy: -1.086 local terms energy: -227.717245 where: bonds (distance) C4'-P energy: -57.732 bonds (distance) P-C4' energy: -49.117 flat angles C4'-P-C4' energy: -65.732 flat angles P-C4'-P energy: -29.041 tors. eta vs tors. theta energy: -26.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -380.124386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.124386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.124386 (E_RNA) where: Base-Base interactions energy: -169.247 where: short stacking energy: -120.438 Base-Backbone interact. energy: 1.109 local terms energy: -211.986170 where: bonds (distance) C4'-P energy: -53.287 bonds (distance) P-C4' energy: -65.598 flat angles C4'-P-C4' energy: -64.776 flat angles P-C4'-P energy: -22.863 tors. eta vs tors. theta energy: -5.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -323.964143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.964143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.964143 (E_RNA) where: Base-Base interactions energy: -126.345 where: short stacking energy: -98.696 Base-Backbone interact. energy: -1.264 local terms energy: -196.355638 where: bonds (distance) C4'-P energy: -50.482 bonds (distance) P-C4' energy: -54.105 flat angles C4'-P-C4' energy: -52.158 flat angles P-C4'-P energy: -35.434 tors. eta vs tors. theta energy: -4.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -287.933821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.933821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.933821 (E_RNA) where: Base-Base interactions energy: -94.535 where: short stacking energy: -83.816 Base-Backbone interact. energy: 1.018 local terms energy: -194.417355 where: bonds (distance) C4'-P energy: -60.187 bonds (distance) P-C4' energy: -49.756 flat angles C4'-P-C4' energy: -48.404 flat angles P-C4'-P energy: -35.203 tors. eta vs tors. theta energy: -0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -268.701117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.701117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.701117 (E_RNA) where: Base-Base interactions energy: -94.987 where: short stacking energy: -72.793 Base-Backbone interact. energy: -0.873 local terms energy: -172.841293 where: bonds (distance) C4'-P energy: -54.246 bonds (distance) P-C4' energy: -47.318 flat angles C4'-P-C4' energy: -32.098 flat angles P-C4'-P energy: -45.124 tors. eta vs tors. theta energy: 5.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -721.328880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.328880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.328880 (E_RNA) where: Base-Base interactions energy: -416.764 where: short stacking energy: -238.327 Base-Backbone interact. energy: 1.529 local terms energy: -306.093372 where: bonds (distance) C4'-P energy: -70.624 bonds (distance) P-C4' energy: -70.928 flat angles C4'-P-C4' energy: -66.083 flat angles P-C4'-P energy: -40.637 tors. eta vs tors. theta energy: -57.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -692.731061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.731061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.731061 (E_RNA) where: Base-Base interactions energy: -402.774 where: short stacking energy: -231.511 Base-Backbone interact. energy: -1.316 local terms energy: -288.641034 where: bonds (distance) C4'-P energy: -72.342 bonds (distance) P-C4' energy: -67.554 flat angles C4'-P-C4' energy: -62.464 flat angles P-C4'-P energy: -40.437 tors. eta vs tors. theta energy: -45.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -613.404052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.404052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.404052 (E_RNA) where: Base-Base interactions energy: -332.002 where: short stacking energy: -217.046 Base-Backbone interact. energy: -0.396 local terms energy: -281.006361 where: bonds (distance) C4'-P energy: -64.223 bonds (distance) P-C4' energy: -55.012 flat angles C4'-P-C4' energy: -67.640 flat angles P-C4'-P energy: -35.649 tors. eta vs tors. theta energy: -58.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -629.883259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.883259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.883259 (E_RNA) where: Base-Base interactions energy: -351.156 where: short stacking energy: -200.558 Base-Backbone interact. energy: 0.978 local terms energy: -279.705427 where: bonds (distance) C4'-P energy: -65.622 bonds (distance) P-C4' energy: -68.620 flat angles C4'-P-C4' energy: -56.480 flat angles P-C4'-P energy: -40.543 tors. eta vs tors. theta energy: -48.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -572.424769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.424769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.424769 (E_RNA) where: Base-Base interactions energy: -324.139 where: short stacking energy: -163.758 Base-Backbone interact. energy: 0.494 local terms energy: -248.780046 where: bonds (distance) C4'-P energy: -51.717 bonds (distance) P-C4' energy: -70.035 flat angles C4'-P-C4' energy: -65.421 flat angles P-C4'-P energy: -33.460 tors. eta vs tors. theta energy: -28.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -418.255397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.255397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.255397 (E_RNA) where: Base-Base interactions energy: -187.077 where: short stacking energy: -119.561 Base-Backbone interact. energy: 0.350 local terms energy: -231.528387 where: bonds (distance) C4'-P energy: -60.953 bonds (distance) P-C4' energy: -71.681 flat angles C4'-P-C4' energy: -52.975 flat angles P-C4'-P energy: -33.556 tors. eta vs tors. theta energy: -12.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -391.877304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.877304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.877304 (E_RNA) where: Base-Base interactions energy: -193.354 where: short stacking energy: -115.298 Base-Backbone interact. energy: -1.359 local terms energy: -197.164135 where: bonds (distance) C4'-P energy: -59.073 bonds (distance) P-C4' energy: -52.701 flat angles C4'-P-C4' energy: -44.759 flat angles P-C4'-P energy: -30.412 tors. eta vs tors. theta energy: -10.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -344.969083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.969083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.969083 (E_RNA) where: Base-Base interactions energy: -161.303 where: short stacking energy: -107.647 Base-Backbone interact. energy: -0.778 local terms energy: -182.888071 where: bonds (distance) C4'-P energy: -59.975 bonds (distance) P-C4' energy: -56.288 flat angles C4'-P-C4' energy: -44.692 flat angles P-C4'-P energy: -26.140 tors. eta vs tors. theta energy: 4.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -362.298825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.298825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.298825 (E_RNA) where: Base-Base interactions energy: -168.636 where: short stacking energy: -111.931 Base-Backbone interact. energy: 3.325 local terms energy: -196.987997 where: bonds (distance) C4'-P energy: -52.612 bonds (distance) P-C4' energy: -68.389 flat angles C4'-P-C4' energy: -48.391 flat angles P-C4'-P energy: -28.500 tors. eta vs tors. theta energy: 0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -292.198958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.198958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.198958 (E_RNA) where: Base-Base interactions energy: -115.787 where: short stacking energy: -88.332 Base-Backbone interact. energy: -1.264 local terms energy: -175.147855 where: bonds (distance) C4'-P energy: -51.446 bonds (distance) P-C4' energy: -54.590 flat angles C4'-P-C4' energy: -42.651 flat angles P-C4'-P energy: -28.031 tors. eta vs tors. theta energy: 1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -751.505209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.505209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.505209 (E_RNA) where: Base-Base interactions energy: -424.295 where: short stacking energy: -267.138 Base-Backbone interact. energy: -0.163 local terms energy: -327.046564 where: bonds (distance) C4'-P energy: -68.648 bonds (distance) P-C4' energy: -65.028 flat angles C4'-P-C4' energy: -73.529 flat angles P-C4'-P energy: -53.826 tors. eta vs tors. theta energy: -66.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -652.906167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.906167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.906167 (E_RNA) where: Base-Base interactions energy: -376.835 where: short stacking energy: -229.532 Base-Backbone interact. energy: -1.385 local terms energy: -274.685404 where: bonds (distance) C4'-P energy: -59.881 bonds (distance) P-C4' energy: -60.344 flat angles C4'-P-C4' energy: -64.340 flat angles P-C4'-P energy: -44.622 tors. eta vs tors. theta energy: -45.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -780.472283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.472283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.472283 (E_RNA) where: Base-Base interactions energy: -467.837 where: short stacking energy: -261.594 Base-Backbone interact. energy: -2.082 local terms energy: -310.553117 where: bonds (distance) C4'-P energy: -55.070 bonds (distance) P-C4' energy: -61.850 flat angles C4'-P-C4' energy: -75.009 flat angles P-C4'-P energy: -44.284 tors. eta vs tors. theta energy: -74.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -549.205599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.205599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.205599 (E_RNA) where: Base-Base interactions energy: -286.976 where: short stacking energy: -182.607 Base-Backbone interact. energy: -1.039 local terms energy: -261.190980 where: bonds (distance) C4'-P energy: -53.600 bonds (distance) P-C4' energy: -62.962 flat angles C4'-P-C4' energy: -54.491 flat angles P-C4'-P energy: -44.314 tors. eta vs tors. theta energy: -45.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -616.446307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.446307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.446307 (E_RNA) where: Base-Base interactions energy: -344.130 where: short stacking energy: -183.356 Base-Backbone interact. energy: -0.118 local terms energy: -272.198152 where: bonds (distance) C4'-P energy: -69.792 bonds (distance) P-C4' energy: -63.956 flat angles C4'-P-C4' energy: -58.486 flat angles P-C4'-P energy: -45.852 tors. eta vs tors. theta energy: -34.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -454.077610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.077610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.077610 (E_RNA) where: Base-Base interactions energy: -231.300 where: short stacking energy: -135.280 Base-Backbone interact. energy: 1.365 local terms energy: -224.143057 where: bonds (distance) C4'-P energy: -54.462 bonds (distance) P-C4' energy: -61.565 flat angles C4'-P-C4' energy: -55.718 flat angles P-C4'-P energy: -36.154 tors. eta vs tors. theta energy: -16.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -389.035172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.035172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.035172 (E_RNA) where: Base-Base interactions energy: -178.637 where: short stacking energy: -131.049 Base-Backbone interact. energy: -0.855 local terms energy: -209.543665 where: bonds (distance) C4'-P energy: -51.061 bonds (distance) P-C4' energy: -56.887 flat angles C4'-P-C4' energy: -47.818 flat angles P-C4'-P energy: -34.150 tors. eta vs tors. theta energy: -19.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -339.064727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.064727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.064727 (E_RNA) where: Base-Base interactions energy: -140.935 where: short stacking energy: -95.922 Base-Backbone interact. energy: -1.291 local terms energy: -196.838782 where: bonds (distance) C4'-P energy: -55.425 bonds (distance) P-C4' energy: -58.642 flat angles C4'-P-C4' energy: -48.229 flat angles P-C4'-P energy: -26.102 tors. eta vs tors. theta energy: -8.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -292.062930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.062930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.062930 (E_RNA) where: Base-Base interactions energy: -103.106 where: short stacking energy: -98.039 Base-Backbone interact. energy: -0.147 local terms energy: -188.809875 where: bonds (distance) C4'-P energy: -56.881 bonds (distance) P-C4' energy: -54.301 flat angles C4'-P-C4' energy: -48.122 flat angles P-C4'-P energy: -27.282 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -339.553170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.553170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.553170 (E_RNA) where: Base-Base interactions energy: -167.610 where: short stacking energy: -84.417 Base-Backbone interact. energy: -1.170 local terms energy: -170.773007 where: bonds (distance) C4'-P energy: -51.335 bonds (distance) P-C4' energy: -58.444 flat angles C4'-P-C4' energy: -41.964 flat angles P-C4'-P energy: -27.113 tors. eta vs tors. theta energy: 8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -732.090743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.090743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.090743 (E_RNA) where: Base-Base interactions energy: -422.118 where: short stacking energy: -266.148 Base-Backbone interact. energy: -1.840 local terms energy: -308.133564 where: bonds (distance) C4'-P energy: -70.074 bonds (distance) P-C4' energy: -64.774 flat angles C4'-P-C4' energy: -68.730 flat angles P-C4'-P energy: -32.011 tors. eta vs tors. theta energy: -72.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -782.624770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.624770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.624770 (E_RNA) where: Base-Base interactions energy: -483.375 where: short stacking energy: -233.473 Base-Backbone interact. energy: -1.388 local terms energy: -297.862372 where: bonds (distance) C4'-P energy: -61.372 bonds (distance) P-C4' energy: -63.230 flat angles C4'-P-C4' energy: -61.856 flat angles P-C4'-P energy: -40.121 tors. eta vs tors. theta energy: -71.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -670.094999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.094999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.094999 (E_RNA) where: Base-Base interactions energy: -397.477 where: short stacking energy: -194.753 Base-Backbone interact. energy: -0.983 local terms energy: -271.634715 where: bonds (distance) C4'-P energy: -65.644 bonds (distance) P-C4' energy: -64.891 flat angles C4'-P-C4' energy: -61.151 flat angles P-C4'-P energy: -37.802 tors. eta vs tors. theta energy: -42.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -640.688008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.688008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.688008 (E_RNA) where: Base-Base interactions energy: -375.356 where: short stacking energy: -189.275 Base-Backbone interact. energy: -2.140 local terms energy: -263.191660 where: bonds (distance) C4'-P energy: -56.890 bonds (distance) P-C4' energy: -60.547 flat angles C4'-P-C4' energy: -59.897 flat angles P-C4'-P energy: -43.572 tors. eta vs tors. theta energy: -42.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -527.463800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.463800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.463800 (E_RNA) where: Base-Base interactions energy: -294.872 where: short stacking energy: -179.054 Base-Backbone interact. energy: -0.963 local terms energy: -231.628907 where: bonds (distance) C4'-P energy: -51.872 bonds (distance) P-C4' energy: -57.793 flat angles C4'-P-C4' energy: -40.610 flat angles P-C4'-P energy: -49.863 tors. eta vs tors. theta energy: -31.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -492.653570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.653570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.653570 (E_RNA) where: Base-Base interactions energy: -269.449 where: short stacking energy: -162.392 Base-Backbone interact. energy: -1.070 local terms energy: -222.134439 where: bonds (distance) C4'-P energy: -50.190 bonds (distance) P-C4' energy: -62.234 flat angles C4'-P-C4' energy: -52.709 flat angles P-C4'-P energy: -35.116 tors. eta vs tors. theta energy: -21.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -432.337429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.337429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.337429 (E_RNA) where: Base-Base interactions energy: -193.335 where: short stacking energy: -119.736 Base-Backbone interact. energy: -2.574 local terms energy: -236.428664 where: bonds (distance) C4'-P energy: -66.418 bonds (distance) P-C4' energy: -60.448 flat angles C4'-P-C4' energy: -55.341 flat angles P-C4'-P energy: -32.972 tors. eta vs tors. theta energy: -21.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -313.539440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.539440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.539440 (E_RNA) where: Base-Base interactions energy: -120.914 where: short stacking energy: -96.010 Base-Backbone interact. energy: -0.130 local terms energy: -192.495434 where: bonds (distance) C4'-P energy: -44.147 bonds (distance) P-C4' energy: -53.107 flat angles C4'-P-C4' energy: -52.725 flat angles P-C4'-P energy: -35.231 tors. eta vs tors. theta energy: -7.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -293.367710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.367710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.367710 (E_RNA) where: Base-Base interactions energy: -119.608 where: short stacking energy: -98.478 Base-Backbone interact. energy: 2.411 local terms energy: -176.170308 where: bonds (distance) C4'-P energy: -61.532 bonds (distance) P-C4' energy: -50.279 flat angles C4'-P-C4' energy: -42.315 flat angles P-C4'-P energy: -24.233 tors. eta vs tors. theta energy: 2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -361.318645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.318645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.318645 (E_RNA) where: Base-Base interactions energy: -173.106 where: short stacking energy: -107.403 Base-Backbone interact. energy: 0.885 local terms energy: -189.098365 where: bonds (distance) C4'-P energy: -51.727 bonds (distance) P-C4' energy: -57.972 flat angles C4'-P-C4' energy: -42.289 flat angles P-C4'-P energy: -25.142 tors. eta vs tors. theta energy: -11.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -867.006306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.006306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.006306 (E_RNA) where: Base-Base interactions energy: -529.428 where: short stacking energy: -272.533 Base-Backbone interact. energy: -2.052 local terms energy: -335.526432 where: bonds (distance) C4'-P energy: -61.072 bonds (distance) P-C4' energy: -67.779 flat angles C4'-P-C4' energy: -75.392 flat angles P-C4'-P energy: -47.862 tors. eta vs tors. theta energy: -83.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -727.340858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.340858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.340858 (E_RNA) where: Base-Base interactions energy: -432.932 where: short stacking energy: -230.498 Base-Backbone interact. energy: -0.107 local terms energy: -294.302490 where: bonds (distance) C4'-P energy: -64.370 bonds (distance) P-C4' energy: -67.869 flat angles C4'-P-C4' energy: -70.596 flat angles P-C4'-P energy: -40.155 tors. eta vs tors. theta energy: -51.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -700.288618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.288618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.288618 (E_RNA) where: Base-Base interactions energy: -420.510 where: short stacking energy: -206.947 Base-Backbone interact. energy: 0.757 local terms energy: -280.534781 where: bonds (distance) C4'-P energy: -64.298 bonds (distance) P-C4' energy: -63.743 flat angles C4'-P-C4' energy: -69.497 flat angles P-C4'-P energy: -35.912 tors. eta vs tors. theta energy: -47.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -619.148652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.148652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.148652 (E_RNA) where: Base-Base interactions energy: -346.761 where: short stacking energy: -195.139 Base-Backbone interact. energy: -2.649 local terms energy: -269.738699 where: bonds (distance) C4'-P energy: -61.526 bonds (distance) P-C4' energy: -53.141 flat angles C4'-P-C4' energy: -60.533 flat angles P-C4'-P energy: -52.818 tors. eta vs tors. theta energy: -41.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -528.484454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.484454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.484454 (E_RNA) where: Base-Base interactions energy: -283.981 where: short stacking energy: -162.993 Base-Backbone interact. energy: 0.663 local terms energy: -245.166265 where: bonds (distance) C4'-P energy: -55.642 bonds (distance) P-C4' energy: -60.676 flat angles C4'-P-C4' energy: -59.155 flat angles P-C4'-P energy: -42.766 tors. eta vs tors. theta energy: -26.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -458.120332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.120332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.120332 (E_RNA) where: Base-Base interactions energy: -233.166 where: short stacking energy: -163.876 Base-Backbone interact. energy: 6.580 local terms energy: -231.534725 where: bonds (distance) C4'-P energy: -56.096 bonds (distance) P-C4' energy: -61.699 flat angles C4'-P-C4' energy: -62.530 flat angles P-C4'-P energy: -25.937 tors. eta vs tors. theta energy: -25.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -418.861455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.861455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.861455 (E_RNA) where: Base-Base interactions energy: -241.748 where: short stacking energy: -119.895 Base-Backbone interact. energy: -0.089 local terms energy: -177.024404 where: bonds (distance) C4'-P energy: -53.771 bonds (distance) P-C4' energy: -49.089 flat angles C4'-P-C4' energy: -41.042 flat angles P-C4'-P energy: -29.368 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -313.076064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.076064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.076064 (E_RNA) where: Base-Base interactions energy: -125.816 where: short stacking energy: -101.496 Base-Backbone interact. energy: -0.925 local terms energy: -186.335054 where: bonds (distance) C4'-P energy: -57.261 bonds (distance) P-C4' energy: -46.616 flat angles C4'-P-C4' energy: -63.138 flat angles P-C4'-P energy: -24.921 tors. eta vs tors. theta energy: 5.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -405.752846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.752846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.752846 (E_RNA) where: Base-Base interactions energy: -210.753 where: short stacking energy: -127.811 Base-Backbone interact. energy: -1.621 local terms energy: -193.379213 where: bonds (distance) C4'-P energy: -46.786 bonds (distance) P-C4' energy: -61.848 flat angles C4'-P-C4' energy: -50.579 flat angles P-C4'-P energy: -24.839 tors. eta vs tors. theta energy: -9.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -293.221166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.221166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.221166 (E_RNA) where: Base-Base interactions energy: -100.668 where: short stacking energy: -88.424 Base-Backbone interact. energy: -0.879 local terms energy: -191.674429 where: bonds (distance) C4'-P energy: -58.554 bonds (distance) P-C4' energy: -52.939 flat angles C4'-P-C4' energy: -51.232 flat angles P-C4'-P energy: -26.674 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -886.144985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.144985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.144985 (E_RNA) where: Base-Base interactions energy: -574.543 where: short stacking energy: -277.398 Base-Backbone interact. energy: -1.012 local terms energy: -310.589726 where: bonds (distance) C4'-P energy: -61.965 bonds (distance) P-C4' energy: -64.257 flat angles C4'-P-C4' energy: -70.389 flat angles P-C4'-P energy: -44.485 tors. eta vs tors. theta energy: -69.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -768.012890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.012890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.012890 (E_RNA) where: Base-Base interactions energy: -472.597 where: short stacking energy: -229.661 Base-Backbone interact. energy: -2.446 local terms energy: -292.970148 where: bonds (distance) C4'-P energy: -54.809 bonds (distance) P-C4' energy: -65.548 flat angles C4'-P-C4' energy: -69.353 flat angles P-C4'-P energy: -50.365 tors. eta vs tors. theta energy: -52.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -713.284931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.284931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.284931 (E_RNA) where: Base-Base interactions energy: -436.865 where: short stacking energy: -226.381 Base-Backbone interact. energy: 2.209 local terms energy: -278.629009 where: bonds (distance) C4'-P energy: -59.043 bonds (distance) P-C4' energy: -63.018 flat angles C4'-P-C4' energy: -54.843 flat angles P-C4'-P energy: -44.911 tors. eta vs tors. theta energy: -56.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -601.553240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.553240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.553240 (E_RNA) where: Base-Base interactions energy: -338.744 where: short stacking energy: -206.279 Base-Backbone interact. energy: -1.547 local terms energy: -261.261763 where: bonds (distance) C4'-P energy: -60.184 bonds (distance) P-C4' energy: -52.374 flat angles C4'-P-C4' energy: -68.772 flat angles P-C4'-P energy: -35.707 tors. eta vs tors. theta energy: -44.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -557.615881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.615881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.615881 (E_RNA) where: Base-Base interactions energy: -307.650 where: short stacking energy: -164.151 Base-Backbone interact. energy: -0.432 local terms energy: -249.533842 where: bonds (distance) C4'-P energy: -59.747 bonds (distance) P-C4' energy: -57.669 flat angles C4'-P-C4' energy: -64.730 flat angles P-C4'-P energy: -45.290 tors. eta vs tors. theta energy: -22.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -486.039239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.039239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.039239 (E_RNA) where: Base-Base interactions energy: -273.532 where: short stacking energy: -172.841 Base-Backbone interact. energy: 8.268 local terms energy: -220.775313 where: bonds (distance) C4'-P energy: -52.407 bonds (distance) P-C4' energy: -54.162 flat angles C4'-P-C4' energy: -55.966 flat angles P-C4'-P energy: -30.232 tors. eta vs tors. theta energy: -28.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -444.025472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.025472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.025472 (E_RNA) where: Base-Base interactions energy: -239.840 where: short stacking energy: -130.008 Base-Backbone interact. energy: -1.347 local terms energy: -202.838273 where: bonds (distance) C4'-P energy: -50.695 bonds (distance) P-C4' energy: -58.133 flat angles C4'-P-C4' energy: -64.794 flat angles P-C4'-P energy: -12.778 tors. eta vs tors. theta energy: -16.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -353.152305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.152305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.152305 (E_RNA) where: Base-Base interactions energy: -164.934 where: short stacking energy: -111.260 Base-Backbone interact. energy: 1.540 local terms energy: -189.758600 where: bonds (distance) C4'-P energy: -59.096 bonds (distance) P-C4' energy: -62.648 flat angles C4'-P-C4' energy: -43.807 flat angles P-C4'-P energy: -19.695 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -291.038104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.038104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.038104 (E_RNA) where: Base-Base interactions energy: -123.124 where: short stacking energy: -90.017 Base-Backbone interact. energy: 1.486 local terms energy: -169.400289 where: bonds (distance) C4'-P energy: -44.192 bonds (distance) P-C4' energy: -50.636 flat angles C4'-P-C4' energy: -52.368 flat angles P-C4'-P energy: -24.447 tors. eta vs tors. theta energy: 2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -269.111450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.111450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.111450 (E_RNA) where: Base-Base interactions energy: -112.114 where: short stacking energy: -73.521 Base-Backbone interact. energy: -2.045 local terms energy: -154.952480 where: bonds (distance) C4'-P energy: -58.919 bonds (distance) P-C4' energy: -40.935 flat angles C4'-P-C4' energy: -31.026 flat angles P-C4'-P energy: -25.313 tors. eta vs tors. theta energy: 1.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -907.758467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.758467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.758467 (E_RNA) where: Base-Base interactions energy: -587.980 where: short stacking energy: -294.015 Base-Backbone interact. energy: -1.474 local terms energy: -318.303989 where: bonds (distance) C4'-P energy: -59.584 bonds (distance) P-C4' energy: -58.424 flat angles C4'-P-C4' energy: -66.745 flat angles P-C4'-P energy: -53.176 tors. eta vs tors. theta energy: -80.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -767.756275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.756275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.756275 (E_RNA) where: Base-Base interactions energy: -478.995 where: short stacking energy: -208.318 Base-Backbone interact. energy: -2.842 local terms energy: -285.918829 where: bonds (distance) C4'-P energy: -66.744 bonds (distance) P-C4' energy: -68.472 flat angles C4'-P-C4' energy: -65.309 flat angles P-C4'-P energy: -36.332 tors. eta vs tors. theta energy: -49.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -735.051254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.051254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.051254 (E_RNA) where: Base-Base interactions energy: -453.237 where: short stacking energy: -217.497 Base-Backbone interact. energy: 1.519 local terms energy: -283.332966 where: bonds (distance) C4'-P energy: -62.489 bonds (distance) P-C4' energy: -67.146 flat angles C4'-P-C4' energy: -64.531 flat angles P-C4'-P energy: -39.600 tors. eta vs tors. theta energy: -49.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -568.603929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.603929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.603929 (E_RNA) where: Base-Base interactions energy: -317.398 where: short stacking energy: -178.554 Base-Backbone interact. energy: -0.868 local terms energy: -250.337772 where: bonds (distance) C4'-P energy: -52.468 bonds (distance) P-C4' energy: -54.881 flat angles C4'-P-C4' energy: -67.143 flat angles P-C4'-P energy: -40.284 tors. eta vs tors. theta energy: -35.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -635.900231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.900231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.900231 (E_RNA) where: Base-Base interactions energy: -380.648 where: short stacking energy: -209.404 Base-Backbone interact. energy: -0.572 local terms energy: -254.680700 where: bonds (distance) C4'-P energy: -51.973 bonds (distance) P-C4' energy: -67.818 flat angles C4'-P-C4' energy: -67.680 flat angles P-C4'-P energy: -37.594 tors. eta vs tors. theta energy: -29.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -551.926275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.926275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.926275 (E_RNA) where: Base-Base interactions energy: -334.318 where: short stacking energy: -147.013 Base-Backbone interact. energy: 1.661 local terms energy: -219.269881 where: bonds (distance) C4'-P energy: -54.159 bonds (distance) P-C4' energy: -52.680 flat angles C4'-P-C4' energy: -45.784 flat angles P-C4'-P energy: -35.414 tors. eta vs tors. theta energy: -31.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -479.154617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.154617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.154617 (E_RNA) where: Base-Base interactions energy: -240.251 where: short stacking energy: -142.706 Base-Backbone interact. energy: 2.111 local terms energy: -241.014178 where: bonds (distance) C4'-P energy: -67.658 bonds (distance) P-C4' energy: -54.597 flat angles C4'-P-C4' energy: -50.464 flat angles P-C4'-P energy: -42.868 tors. eta vs tors. theta energy: -25.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -365.032707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.032707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.032707 (E_RNA) where: Base-Base interactions energy: -158.120 where: short stacking energy: -96.846 Base-Backbone interact. energy: -2.184 local terms energy: -204.729337 where: bonds (distance) C4'-P energy: -54.423 bonds (distance) P-C4' energy: -65.322 flat angles C4'-P-C4' energy: -63.302 flat angles P-C4'-P energy: -26.865 tors. eta vs tors. theta energy: 5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -296.717776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.717776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.717776 (E_RNA) where: Base-Base interactions energy: -112.977 where: short stacking energy: -89.891 Base-Backbone interact. energy: -0.811 local terms energy: -182.929689 where: bonds (distance) C4'-P energy: -60.577 bonds (distance) P-C4' energy: -51.939 flat angles C4'-P-C4' energy: -45.329 flat angles P-C4'-P energy: -26.188 tors. eta vs tors. theta energy: 1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -309.597273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.597273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.597273 (E_RNA) where: Base-Base interactions energy: -117.081 where: short stacking energy: -82.504 Base-Backbone interact. energy: 0.002 local terms energy: -192.517823 where: bonds (distance) C4'-P energy: -50.566 bonds (distance) P-C4' energy: -57.860 flat angles C4'-P-C4' energy: -47.748 flat angles P-C4'-P energy: -31.727 tors. eta vs tors. theta energy: -4.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -906.758146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.758146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.758146 (E_RNA) where: Base-Base interactions energy: -588.974 where: short stacking energy: -284.523 Base-Backbone interact. energy: -2.536 local terms energy: -315.247633 where: bonds (distance) C4'-P energy: -57.340 bonds (distance) P-C4' energy: -59.198 flat angles C4'-P-C4' energy: -75.622 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: -80.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -796.490006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.490006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.490006 (E_RNA) where: Base-Base interactions energy: -516.296 where: short stacking energy: -215.127 Base-Backbone interact. energy: -0.918 local terms energy: -279.276395 where: bonds (distance) C4'-P energy: -53.527 bonds (distance) P-C4' energy: -67.197 flat angles C4'-P-C4' energy: -72.298 flat angles P-C4'-P energy: -41.357 tors. eta vs tors. theta energy: -44.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -773.506353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.506353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.506353 (E_RNA) where: Base-Base interactions energy: -501.184 where: short stacking energy: -219.823 Base-Backbone interact. energy: 0.930 local terms energy: -273.252750 where: bonds (distance) C4'-P energy: -57.271 bonds (distance) P-C4' energy: -56.481 flat angles C4'-P-C4' energy: -65.688 flat angles P-C4'-P energy: -44.146 tors. eta vs tors. theta energy: -49.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -712.686718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.686718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.686718 (E_RNA) where: Base-Base interactions energy: -437.636 where: short stacking energy: -237.690 Base-Backbone interact. energy: -0.368 local terms energy: -274.682556 where: bonds (distance) C4'-P energy: -48.758 bonds (distance) P-C4' energy: -63.251 flat angles C4'-P-C4' energy: -69.409 flat angles P-C4'-P energy: -37.807 tors. eta vs tors. theta energy: -55.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -563.706537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.706537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.706537 (E_RNA) where: Base-Base interactions energy: -312.830 where: short stacking energy: -184.097 Base-Backbone interact. energy: -4.976 local terms energy: -245.900307 where: bonds (distance) C4'-P energy: -48.358 bonds (distance) P-C4' energy: -61.984 flat angles C4'-P-C4' energy: -67.492 flat angles P-C4'-P energy: -33.662 tors. eta vs tors. theta energy: -34.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -537.508930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.508930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.508930 (E_RNA) where: Base-Base interactions energy: -299.799 where: short stacking energy: -145.613 Base-Backbone interact. energy: -1.634 local terms energy: -236.075556 where: bonds (distance) C4'-P energy: -63.452 bonds (distance) P-C4' energy: -69.892 flat angles C4'-P-C4' energy: -43.707 flat angles P-C4'-P energy: -27.921 tors. eta vs tors. theta energy: -31.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -487.942608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.942608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.942608 (E_RNA) where: Base-Base interactions energy: -252.349 where: short stacking energy: -134.789 Base-Backbone interact. energy: -1.446 local terms energy: -234.147107 where: bonds (distance) C4'-P energy: -55.130 bonds (distance) P-C4' energy: -57.750 flat angles C4'-P-C4' energy: -46.966 flat angles P-C4'-P energy: -45.255 tors. eta vs tors. theta energy: -29.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -363.125731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.125731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.125731 (E_RNA) where: Base-Base interactions energy: -157.781 where: short stacking energy: -128.636 Base-Backbone interact. energy: -0.388 local terms energy: -204.957122 where: bonds (distance) C4'-P energy: -43.265 bonds (distance) P-C4' energy: -59.088 flat angles C4'-P-C4' energy: -53.975 flat angles P-C4'-P energy: -30.952 tors. eta vs tors. theta energy: -17.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -324.038053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.038053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.038053 (E_RNA) where: Base-Base interactions energy: -140.243 where: short stacking energy: -101.145 Base-Backbone interact. energy: -0.255 local terms energy: -183.540049 where: bonds (distance) C4'-P energy: -53.808 bonds (distance) P-C4' energy: -54.418 flat angles C4'-P-C4' energy: -49.872 flat angles P-C4'-P energy: -27.921 tors. eta vs tors. theta energy: 2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -283.693840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.693840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.693840 (E_RNA) where: Base-Base interactions energy: -93.797 where: short stacking energy: -69.051 Base-Backbone interact. energy: -1.149 local terms energy: -188.747659 where: bonds (distance) C4'-P energy: -51.441 bonds (distance) P-C4' energy: -64.828 flat angles C4'-P-C4' energy: -41.072 flat angles P-C4'-P energy: -33.733 tors. eta vs tors. theta energy: 2.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -913.259649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.259649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.259649 (E_RNA) where: Base-Base interactions energy: -599.143 where: short stacking energy: -279.373 Base-Backbone interact. energy: -2.057 local terms energy: -312.059219 where: bonds (distance) C4'-P energy: -67.970 bonds (distance) P-C4' energy: -58.472 flat angles C4'-P-C4' energy: -65.028 flat angles P-C4'-P energy: -47.770 tors. eta vs tors. theta energy: -72.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -807.461276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.461276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.461276 (E_RNA) where: Base-Base interactions energy: -514.109 where: short stacking energy: -240.626 Base-Backbone interact. energy: 0.014 local terms energy: -293.365908 where: bonds (distance) C4'-P energy: -61.251 bonds (distance) P-C4' energy: -57.593 flat angles C4'-P-C4' energy: -67.380 flat angles P-C4'-P energy: -40.638 tors. eta vs tors. theta energy: -66.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -804.995009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.995009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.995009 (E_RNA) where: Base-Base interactions energy: -519.938 where: short stacking energy: -247.362 Base-Backbone interact. energy: -1.723 local terms energy: -283.333936 where: bonds (distance) C4'-P energy: -58.715 bonds (distance) P-C4' energy: -64.445 flat angles C4'-P-C4' energy: -61.068 flat angles P-C4'-P energy: -33.521 tors. eta vs tors. theta energy: -65.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -692.409393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.409393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.409393 (E_RNA) where: Base-Base interactions energy: -416.114 where: short stacking energy: -227.312 Base-Backbone interact. energy: -1.532 local terms energy: -274.764132 where: bonds (distance) C4'-P energy: -56.236 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -56.828 flat angles P-C4'-P energy: -38.406 tors. eta vs tors. theta energy: -58.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -597.509291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.509291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.509291 (E_RNA) where: Base-Base interactions energy: -367.436 where: short stacking energy: -172.996 Base-Backbone interact. energy: 1.292 local terms energy: -231.365758 where: bonds (distance) C4'-P energy: -55.605 bonds (distance) P-C4' energy: -65.285 flat angles C4'-P-C4' energy: -62.394 flat angles P-C4'-P energy: -25.488 tors. eta vs tors. theta energy: -22.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -567.505340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.505340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.505340 (E_RNA) where: Base-Base interactions energy: -326.130 where: short stacking energy: -157.699 Base-Backbone interact. energy: 1.729 local terms energy: -243.104035 where: bonds (distance) C4'-P energy: -64.363 bonds (distance) P-C4' energy: -59.453 flat angles C4'-P-C4' energy: -60.091 flat angles P-C4'-P energy: -36.845 tors. eta vs tors. theta energy: -22.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -474.675850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.675850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.675850 (E_RNA) where: Base-Base interactions energy: -242.084 where: short stacking energy: -142.956 Base-Backbone interact. energy: -0.599 local terms energy: -231.993436 where: bonds (distance) C4'-P energy: -56.408 bonds (distance) P-C4' energy: -61.736 flat angles C4'-P-C4' energy: -47.876 flat angles P-C4'-P energy: -46.108 tors. eta vs tors. theta energy: -19.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -349.911783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.911783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.911783 (E_RNA) where: Base-Base interactions energy: -140.726 where: short stacking energy: -108.688 Base-Backbone interact. energy: 0.833 local terms energy: -210.018449 where: bonds (distance) C4'-P energy: -50.017 bonds (distance) P-C4' energy: -56.941 flat angles C4'-P-C4' energy: -61.588 flat angles P-C4'-P energy: -31.361 tors. eta vs tors. theta energy: -10.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -321.887730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.887730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.887730 (E_RNA) where: Base-Base interactions energy: -132.363 where: short stacking energy: -101.144 Base-Backbone interact. energy: 1.040 local terms energy: -190.565383 where: bonds (distance) C4'-P energy: -55.747 bonds (distance) P-C4' energy: -54.431 flat angles C4'-P-C4' energy: -46.775 flat angles P-C4'-P energy: -21.594 tors. eta vs tors. theta energy: -12.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -286.797192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.797192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.797192 (E_RNA) where: Base-Base interactions energy: -95.856 where: short stacking energy: -75.966 Base-Backbone interact. energy: 0.070 local terms energy: -191.011647 where: bonds (distance) C4'-P energy: -55.695 bonds (distance) P-C4' energy: -60.712 flat angles C4'-P-C4' energy: -60.118 flat angles P-C4'-P energy: -29.728 tors. eta vs tors. theta energy: 15.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -933.882222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.882222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.882222 (E_RNA) where: Base-Base interactions energy: -630.667 where: short stacking energy: -269.575 Base-Backbone interact. energy: -0.239 local terms energy: -302.976451 where: bonds (distance) C4'-P energy: -51.951 bonds (distance) P-C4' energy: -61.101 flat angles C4'-P-C4' energy: -63.557 flat angles P-C4'-P energy: -45.025 tors. eta vs tors. theta energy: -81.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -820.641211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.641211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.641211 (E_RNA) where: Base-Base interactions energy: -499.085 where: short stacking energy: -241.132 Base-Backbone interact. energy: -2.759 local terms energy: -318.796881 where: bonds (distance) C4'-P energy: -71.045 bonds (distance) P-C4' energy: -63.535 flat angles C4'-P-C4' energy: -75.145 flat angles P-C4'-P energy: -50.102 tors. eta vs tors. theta energy: -58.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -825.312078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.312078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.312078 (E_RNA) where: Base-Base interactions energy: -508.483 where: short stacking energy: -245.746 Base-Backbone interact. energy: -0.600 local terms energy: -316.228553 where: bonds (distance) C4'-P energy: -62.857 bonds (distance) P-C4' energy: -65.686 flat angles C4'-P-C4' energy: -66.119 flat angles P-C4'-P energy: -51.235 tors. eta vs tors. theta energy: -70.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -667.575643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.575643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.575643 (E_RNA) where: Base-Base interactions energy: -418.972 where: short stacking energy: -211.348 Base-Backbone interact. energy: 2.244 local terms energy: -250.847609 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -59.346 flat angles C4'-P-C4' energy: -59.856 flat angles P-C4'-P energy: -35.459 tors. eta vs tors. theta energy: -38.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -631.587795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.587795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.587795 (E_RNA) where: Base-Base interactions energy: -381.546 where: short stacking energy: -191.302 Base-Backbone interact. energy: -1.039 local terms energy: -249.003179 where: bonds (distance) C4'-P energy: -64.741 bonds (distance) P-C4' energy: -56.059 flat angles C4'-P-C4' energy: -64.043 flat angles P-C4'-P energy: -39.492 tors. eta vs tors. theta energy: -24.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -617.288320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.288320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.288320 (E_RNA) where: Base-Base interactions energy: -369.810 where: short stacking energy: -172.951 Base-Backbone interact. energy: 0.335 local terms energy: -247.813333 where: bonds (distance) C4'-P energy: -55.993 bonds (distance) P-C4' energy: -62.557 flat angles C4'-P-C4' energy: -59.453 flat angles P-C4'-P energy: -39.387 tors. eta vs tors. theta energy: -30.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -508.737752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.737752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.737752 (E_RNA) where: Base-Base interactions energy: -283.950 where: short stacking energy: -153.954 Base-Backbone interact. energy: -1.151 local terms energy: -223.636425 where: bonds (distance) C4'-P energy: -57.246 bonds (distance) P-C4' energy: -53.778 flat angles C4'-P-C4' energy: -46.159 flat angles P-C4'-P energy: -33.791 tors. eta vs tors. theta energy: -32.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -308.016572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.016572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.016572 (E_RNA) where: Base-Base interactions energy: -107.152 where: short stacking energy: -74.980 Base-Backbone interact. energy: -3.077 local terms energy: -197.788343 where: bonds (distance) C4'-P energy: -66.470 bonds (distance) P-C4' energy: -43.688 flat angles C4'-P-C4' energy: -54.710 flat angles P-C4'-P energy: -38.237 tors. eta vs tors. theta energy: 5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -349.732733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.732733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.732733 (E_RNA) where: Base-Base interactions energy: -164.263 where: short stacking energy: -119.069 Base-Backbone interact. energy: 0.354 local terms energy: -185.823719 where: bonds (distance) C4'-P energy: -55.558 bonds (distance) P-C4' energy: -48.595 flat angles C4'-P-C4' energy: -33.156 flat angles P-C4'-P energy: -34.510 tors. eta vs tors. theta energy: -14.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -268.958272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.958272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.958272 (E_RNA) where: Base-Base interactions energy: -90.643 where: short stacking energy: -64.344 Base-Backbone interact. energy: -0.151 local terms energy: -178.164561 where: bonds (distance) C4'-P energy: -51.742 bonds (distance) P-C4' energy: -56.238 flat angles C4'-P-C4' energy: -51.676 flat angles P-C4'-P energy: -25.134 tors. eta vs tors. theta energy: 6.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -973.140489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.140489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.140489 (E_RNA) where: Base-Base interactions energy: -656.672 where: short stacking energy: -271.032 Base-Backbone interact. energy: -1.231 local terms energy: -315.237191 where: bonds (distance) C4'-P energy: -66.322 bonds (distance) P-C4' energy: -57.757 flat angles C4'-P-C4' energy: -67.648 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: -74.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -786.695479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.695479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.695479 (E_RNA) where: Base-Base interactions energy: -482.632 where: short stacking energy: -256.297 Base-Backbone interact. energy: -2.073 local terms energy: -301.990553 where: bonds (distance) C4'-P energy: -66.414 bonds (distance) P-C4' energy: -72.174 flat angles C4'-P-C4' energy: -67.269 flat angles P-C4'-P energy: -31.606 tors. eta vs tors. theta energy: -64.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -823.201594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.201594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.201594 (E_RNA) where: Base-Base interactions energy: -523.978 where: short stacking energy: -239.467 Base-Backbone interact. energy: -0.872 local terms energy: -298.351537 where: bonds (distance) C4'-P energy: -56.102 bonds (distance) P-C4' energy: -68.235 flat angles C4'-P-C4' energy: -71.031 flat angles P-C4'-P energy: -39.874 tors. eta vs tors. theta energy: -63.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -686.459197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.459197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.459197 (E_RNA) where: Base-Base interactions energy: -418.727 where: short stacking energy: -202.512 Base-Backbone interact. energy: -3.018 local terms energy: -264.714267 where: bonds (distance) C4'-P energy: -61.990 bonds (distance) P-C4' energy: -50.293 flat angles C4'-P-C4' energy: -70.097 flat angles P-C4'-P energy: -39.695 tors. eta vs tors. theta energy: -42.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -664.194484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.194484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.194484 (E_RNA) where: Base-Base interactions energy: -391.005 where: short stacking energy: -177.962 Base-Backbone interact. energy: -2.289 local terms energy: -270.900007 where: bonds (distance) C4'-P energy: -55.837 bonds (distance) P-C4' energy: -70.014 flat angles C4'-P-C4' energy: -54.643 flat angles P-C4'-P energy: -48.766 tors. eta vs tors. theta energy: -41.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -604.204408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.204408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.204408 (E_RNA) where: Base-Base interactions energy: -378.412 where: short stacking energy: -191.934 Base-Backbone interact. energy: 1.695 local terms energy: -227.487570 where: bonds (distance) C4'-P energy: -51.621 bonds (distance) P-C4' energy: -52.579 flat angles C4'-P-C4' energy: -54.783 flat angles P-C4'-P energy: -39.229 tors. eta vs tors. theta energy: -29.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -570.434813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.434813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.434813 (E_RNA) where: Base-Base interactions energy: -336.065 where: short stacking energy: -185.337 Base-Backbone interact. energy: 1.180 local terms energy: -235.549771 where: bonds (distance) C4'-P energy: -39.815 bonds (distance) P-C4' energy: -51.660 flat angles C4'-P-C4' energy: -69.141 flat angles P-C4'-P energy: -35.887 tors. eta vs tors. theta energy: -39.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -323.901401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.901401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.901401 (E_RNA) where: Base-Base interactions energy: -99.291 where: short stacking energy: -98.356 Base-Backbone interact. energy: -1.226 local terms energy: -223.384716 where: bonds (distance) C4'-P energy: -54.242 bonds (distance) P-C4' energy: -57.965 flat angles C4'-P-C4' energy: -60.741 flat angles P-C4'-P energy: -33.112 tors. eta vs tors. theta energy: -17.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -345.398370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.398370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.398370 (E_RNA) where: Base-Base interactions energy: -150.322 where: short stacking energy: -122.086 Base-Backbone interact. energy: -0.952 local terms energy: -194.125294 where: bonds (distance) C4'-P energy: -47.810 bonds (distance) P-C4' energy: -61.770 flat angles C4'-P-C4' energy: -51.222 flat angles P-C4'-P energy: -29.364 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -260.468344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.468344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.468344 (E_RNA) where: Base-Base interactions energy: -73.634 where: short stacking energy: -58.385 Base-Backbone interact. energy: -2.473 local terms energy: -184.361843 where: bonds (distance) C4'-P energy: -58.828 bonds (distance) P-C4' energy: -60.316 flat angles C4'-P-C4' energy: -50.270 flat angles P-C4'-P energy: -30.146 tors. eta vs tors. theta energy: 15.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1005.190537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.190537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.190537 (E_RNA) where: Base-Base interactions energy: -670.363 where: short stacking energy: -287.227 Base-Backbone interact. energy: -2.525 local terms energy: -332.302851 where: bonds (distance) C4'-P energy: -63.775 bonds (distance) P-C4' energy: -68.385 flat angles C4'-P-C4' energy: -78.067 flat angles P-C4'-P energy: -45.488 tors. eta vs tors. theta energy: -76.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -890.088039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.088039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.088039 (E_RNA) where: Base-Base interactions energy: -584.218 where: short stacking energy: -257.299 Base-Backbone interact. energy: 2.440 local terms energy: -308.309728 where: bonds (distance) C4'-P energy: -57.711 bonds (distance) P-C4' energy: -70.217 flat angles C4'-P-C4' energy: -62.957 flat angles P-C4'-P energy: -41.078 tors. eta vs tors. theta energy: -76.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -750.328975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.328975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.328975 (E_RNA) where: Base-Base interactions energy: -452.038 where: short stacking energy: -246.841 Base-Backbone interact. energy: 0.059 local terms energy: -298.350617 where: bonds (distance) C4'-P energy: -58.894 bonds (distance) P-C4' energy: -68.947 flat angles C4'-P-C4' energy: -63.910 flat angles P-C4'-P energy: -45.214 tors. eta vs tors. theta energy: -61.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -693.256377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.256377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.256377 (E_RNA) where: Base-Base interactions energy: -432.791 where: short stacking energy: -209.223 Base-Backbone interact. energy: -1.359 local terms energy: -259.106485 where: bonds (distance) C4'-P energy: -50.207 bonds (distance) P-C4' energy: -51.896 flat angles C4'-P-C4' energy: -63.510 flat angles P-C4'-P energy: -42.371 tors. eta vs tors. theta energy: -51.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -648.090033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.090033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.090033 (E_RNA) where: Base-Base interactions energy: -396.184 where: short stacking energy: -207.716 Base-Backbone interact. energy: -0.748 local terms energy: -251.158382 where: bonds (distance) C4'-P energy: -51.550 bonds (distance) P-C4' energy: -56.999 flat angles C4'-P-C4' energy: -68.443 flat angles P-C4'-P energy: -38.265 tors. eta vs tors. theta energy: -35.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -616.458103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.458103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.458103 (E_RNA) where: Base-Base interactions energy: -362.532 where: short stacking energy: -174.366 Base-Backbone interact. energy: -2.612 local terms energy: -251.313714 where: bonds (distance) C4'-P energy: -57.826 bonds (distance) P-C4' energy: -52.435 flat angles C4'-P-C4' energy: -59.939 flat angles P-C4'-P energy: -36.746 tors. eta vs tors. theta energy: -44.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -583.543861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.543861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.543861 (E_RNA) where: Base-Base interactions energy: -350.461 where: short stacking energy: -168.036 Base-Backbone interact. energy: -1.182 local terms energy: -231.900905 where: bonds (distance) C4'-P energy: -47.628 bonds (distance) P-C4' energy: -49.168 flat angles C4'-P-C4' energy: -51.250 flat angles P-C4'-P energy: -41.169 tors. eta vs tors. theta energy: -42.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -346.082614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.082614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.082614 (E_RNA) where: Base-Base interactions energy: -143.045 where: short stacking energy: -91.909 Base-Backbone interact. energy: -2.151 local terms energy: -200.886580 where: bonds (distance) C4'-P energy: -51.829 bonds (distance) P-C4' energy: -58.227 flat angles C4'-P-C4' energy: -55.189 flat angles P-C4'-P energy: -30.553 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -304.868681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.868681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.868681 (E_RNA) where: Base-Base interactions energy: -100.855 where: short stacking energy: -82.078 Base-Backbone interact. energy: -0.694 local terms energy: -203.320109 where: bonds (distance) C4'-P energy: -63.205 bonds (distance) P-C4' energy: -59.131 flat angles C4'-P-C4' energy: -48.136 flat angles P-C4'-P energy: -31.413 tors. eta vs tors. theta energy: -1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -294.246319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.246319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.246319 (E_RNA) where: Base-Base interactions energy: -125.731 where: short stacking energy: -106.579 Base-Backbone interact. energy: -1.092 local terms energy: -167.423856 where: bonds (distance) C4'-P energy: -51.998 bonds (distance) P-C4' energy: -48.689 flat angles C4'-P-C4' energy: -43.016 flat angles P-C4'-P energy: -20.750 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1010.630498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.630498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.630498 (E_RNA) where: Base-Base interactions energy: -684.952 where: short stacking energy: -304.149 Base-Backbone interact. energy: 3.985 local terms energy: -329.663799 where: bonds (distance) C4'-P energy: -66.040 bonds (distance) P-C4' energy: -56.497 flat angles C4'-P-C4' energy: -69.407 flat angles P-C4'-P energy: -53.551 tors. eta vs tors. theta energy: -84.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -899.404586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.404586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.404586 (E_RNA) where: Base-Base interactions energy: -594.438 where: short stacking energy: -272.535 Base-Backbone interact. energy: -1.504 local terms energy: -303.462146 where: bonds (distance) C4'-P energy: -64.689 bonds (distance) P-C4' energy: -70.948 flat angles C4'-P-C4' energy: -60.310 flat angles P-C4'-P energy: -41.675 tors. eta vs tors. theta energy: -65.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -711.416226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.416226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.416226 (E_RNA) where: Base-Base interactions energy: -428.295 where: short stacking energy: -224.424 Base-Backbone interact. energy: 1.010 local terms energy: -284.131671 where: bonds (distance) C4'-P energy: -68.553 bonds (distance) P-C4' energy: -59.773 flat angles C4'-P-C4' energy: -67.471 flat angles P-C4'-P energy: -31.502 tors. eta vs tors. theta energy: -56.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -694.579925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.579925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.579925 (E_RNA) where: Base-Base interactions energy: -418.229 where: short stacking energy: -189.997 Base-Backbone interact. energy: -1.551 local terms energy: -274.800043 where: bonds (distance) C4'-P energy: -65.123 bonds (distance) P-C4' energy: -62.485 flat angles C4'-P-C4' energy: -61.783 flat angles P-C4'-P energy: -36.456 tors. eta vs tors. theta energy: -48.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -647.345062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.345062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.345062 (E_RNA) where: Base-Base interactions energy: -397.603 where: short stacking energy: -215.282 Base-Backbone interact. energy: 4.074 local terms energy: -253.816144 where: bonds (distance) C4'-P energy: -55.019 bonds (distance) P-C4' energy: -57.204 flat angles C4'-P-C4' energy: -62.817 flat angles P-C4'-P energy: -23.843 tors. eta vs tors. theta energy: -54.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -613.679192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.679192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.679192 (E_RNA) where: Base-Base interactions energy: -374.103 where: short stacking energy: -165.698 Base-Backbone interact. energy: -3.250 local terms energy: -236.325637 where: bonds (distance) C4'-P energy: -43.505 bonds (distance) P-C4' energy: -66.100 flat angles C4'-P-C4' energy: -58.242 flat angles P-C4'-P energy: -39.322 tors. eta vs tors. theta energy: -29.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -569.882175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.882175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.882175 (E_RNA) where: Base-Base interactions energy: -341.542 where: short stacking energy: -166.811 Base-Backbone interact. energy: -3.538 local terms energy: -224.801884 where: bonds (distance) C4'-P energy: -46.484 bonds (distance) P-C4' energy: -54.385 flat angles C4'-P-C4' energy: -57.277 flat angles P-C4'-P energy: -34.166 tors. eta vs tors. theta energy: -32.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -393.105196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.105196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.105196 (E_RNA) where: Base-Base interactions energy: -183.319 where: short stacking energy: -104.810 Base-Backbone interact. energy: -0.753 local terms energy: -209.033840 where: bonds (distance) C4'-P energy: -57.809 bonds (distance) P-C4' energy: -66.165 flat angles C4'-P-C4' energy: -60.302 flat angles P-C4'-P energy: -23.895 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -304.550418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.550418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.550418 (E_RNA) where: Base-Base interactions energy: -126.336 where: short stacking energy: -93.509 Base-Backbone interact. energy: 0.023 local terms energy: -178.238103 where: bonds (distance) C4'-P energy: -48.384 bonds (distance) P-C4' energy: -57.499 flat angles C4'-P-C4' energy: -40.302 flat angles P-C4'-P energy: -32.194 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -260.112160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.112160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.112160 (E_RNA) where: Base-Base interactions energy: -92.920 where: short stacking energy: -69.860 Base-Backbone interact. energy: 3.132 local terms energy: -170.324733 where: bonds (distance) C4'-P energy: -67.038 bonds (distance) P-C4' energy: -46.930 flat angles C4'-P-C4' energy: -41.147 flat angles P-C4'-P energy: -19.652 tors. eta vs tors. theta energy: 4.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1025.086083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.086083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.086083 (E_RNA) where: Base-Base interactions energy: -682.621 where: short stacking energy: -313.875 Base-Backbone interact. energy: -2.045 local terms energy: -340.420278 where: bonds (distance) C4'-P energy: -60.208 bonds (distance) P-C4' energy: -68.651 flat angles C4'-P-C4' energy: -75.864 flat angles P-C4'-P energy: -50.040 tors. eta vs tors. theta energy: -85.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -907.903937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.903937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.903937 (E_RNA) where: Base-Base interactions energy: -594.242 where: short stacking energy: -275.291 Base-Backbone interact. energy: -0.558 local terms energy: -313.104166 where: bonds (distance) C4'-P energy: -56.872 bonds (distance) P-C4' energy: -68.161 flat angles C4'-P-C4' energy: -66.796 flat angles P-C4'-P energy: -43.628 tors. eta vs tors. theta energy: -77.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -739.338309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.338309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.338309 (E_RNA) where: Base-Base interactions energy: -447.531 where: short stacking energy: -241.013 Base-Backbone interact. energy: -1.607 local terms energy: -290.200068 where: bonds (distance) C4'-P energy: -59.937 bonds (distance) P-C4' energy: -60.093 flat angles C4'-P-C4' energy: -70.580 flat angles P-C4'-P energy: -48.116 tors. eta vs tors. theta energy: -51.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -781.112063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.112063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.112063 (E_RNA) where: Base-Base interactions energy: -502.946 where: short stacking energy: -211.297 Base-Backbone interact. energy: -1.799 local terms energy: -276.366498 where: bonds (distance) C4'-P energy: -46.980 bonds (distance) P-C4' energy: -71.018 flat angles C4'-P-C4' energy: -70.503 flat angles P-C4'-P energy: -37.369 tors. eta vs tors. theta energy: -50.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -664.551042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.551042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.551042 (E_RNA) where: Base-Base interactions energy: -394.586 where: short stacking energy: -212.462 Base-Backbone interact. energy: -0.046 local terms energy: -269.919443 where: bonds (distance) C4'-P energy: -54.072 bonds (distance) P-C4' energy: -61.716 flat angles C4'-P-C4' energy: -53.955 flat angles P-C4'-P energy: -41.054 tors. eta vs tors. theta energy: -59.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -618.250123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.250123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.250123 (E_RNA) where: Base-Base interactions energy: -374.823 where: short stacking energy: -149.974 Base-Backbone interact. energy: -0.767 local terms energy: -242.660380 where: bonds (distance) C4'-P energy: -52.032 bonds (distance) P-C4' energy: -66.486 flat angles C4'-P-C4' energy: -59.384 flat angles P-C4'-P energy: -35.186 tors. eta vs tors. theta energy: -29.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -567.520934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.520934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.520934 (E_RNA) where: Base-Base interactions energy: -332.395 where: short stacking energy: -163.687 Base-Backbone interact. energy: -0.617 local terms energy: -234.509096 where: bonds (distance) C4'-P energy: -57.691 bonds (distance) P-C4' energy: -49.850 flat angles C4'-P-C4' energy: -58.094 flat angles P-C4'-P energy: -41.641 tors. eta vs tors. theta energy: -27.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -375.970634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.970634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.970634 (E_RNA) where: Base-Base interactions energy: -158.347 where: short stacking energy: -83.564 Base-Backbone interact. energy: -1.378 local terms energy: -216.245417 where: bonds (distance) C4'-P energy: -63.893 bonds (distance) P-C4' energy: -63.940 flat angles C4'-P-C4' energy: -49.685 flat angles P-C4'-P energy: -33.598 tors. eta vs tors. theta energy: -5.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -307.472239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.472239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.472239 (E_RNA) where: Base-Base interactions energy: -112.912 where: short stacking energy: -86.337 Base-Backbone interact. energy: 1.811 local terms energy: -196.371957 where: bonds (distance) C4'-P energy: -48.075 bonds (distance) P-C4' energy: -64.016 flat angles C4'-P-C4' energy: -50.566 flat angles P-C4'-P energy: -32.722 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -259.426475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.426475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.426475 (E_RNA) where: Base-Base interactions energy: -115.108 where: short stacking energy: -69.890 Base-Backbone interact. energy: 0.988 local terms energy: -145.306411 where: bonds (distance) C4'-P energy: -47.993 bonds (distance) P-C4' energy: -54.665 flat angles C4'-P-C4' energy: -26.379 flat angles P-C4'-P energy: -27.851 tors. eta vs tors. theta energy: 11.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1032.523924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.523924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.523924 (E_RNA) where: Base-Base interactions energy: -705.624 where: short stacking energy: -291.823 Base-Backbone interact. energy: -1.426 local terms energy: -325.473169 where: bonds (distance) C4'-P energy: -60.383 bonds (distance) P-C4' energy: -67.562 flat angles C4'-P-C4' energy: -73.861 flat angles P-C4'-P energy: -43.397 tors. eta vs tors. theta energy: -80.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -892.845765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.845765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.845765 (E_RNA) where: Base-Base interactions energy: -590.659 where: short stacking energy: -249.901 Base-Backbone interact. energy: -3.208 local terms energy: -298.978317 where: bonds (distance) C4'-P energy: -63.567 bonds (distance) P-C4' energy: -68.184 flat angles C4'-P-C4' energy: -59.929 flat angles P-C4'-P energy: -46.267 tors. eta vs tors. theta energy: -61.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -828.485602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.485602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.485602 (E_RNA) where: Base-Base interactions energy: -532.973 where: short stacking energy: -256.891 Base-Backbone interact. energy: -0.997 local terms energy: -294.515645 where: bonds (distance) C4'-P energy: -62.514 bonds (distance) P-C4' energy: -60.227 flat angles C4'-P-C4' energy: -64.097 flat angles P-C4'-P energy: -40.530 tors. eta vs tors. theta energy: -67.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -686.603948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.603948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.603948 (E_RNA) where: Base-Base interactions energy: -421.661 where: short stacking energy: -222.177 Base-Backbone interact. energy: -1.339 local terms energy: -263.603646 where: bonds (distance) C4'-P energy: -43.720 bonds (distance) P-C4' energy: -57.797 flat angles C4'-P-C4' energy: -61.344 flat angles P-C4'-P energy: -50.308 tors. eta vs tors. theta energy: -50.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -669.291627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.291627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.291627 (E_RNA) where: Base-Base interactions energy: -410.926 where: short stacking energy: -221.004 Base-Backbone interact. energy: 0.569 local terms energy: -258.934815 where: bonds (distance) C4'-P energy: -62.772 bonds (distance) P-C4' energy: -59.162 flat angles C4'-P-C4' energy: -57.128 flat angles P-C4'-P energy: -35.947 tors. eta vs tors. theta energy: -43.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -547.610727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.610727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.610727 (E_RNA) where: Base-Base interactions energy: -331.972 where: short stacking energy: -163.419 Base-Backbone interact. energy: -0.415 local terms energy: -215.224412 where: bonds (distance) C4'-P energy: -47.393 bonds (distance) P-C4' energy: -59.621 flat angles C4'-P-C4' energy: -56.519 flat angles P-C4'-P energy: -41.028 tors. eta vs tors. theta energy: -10.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -618.545044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.545044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.545044 (E_RNA) where: Base-Base interactions energy: -382.251 where: short stacking energy: -163.791 Base-Backbone interact. energy: 5.484 local terms energy: -241.777826 where: bonds (distance) C4'-P energy: -48.186 bonds (distance) P-C4' energy: -65.996 flat angles C4'-P-C4' energy: -55.270 flat angles P-C4'-P energy: -35.936 tors. eta vs tors. theta energy: -36.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -374.417553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.417553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.417553 (E_RNA) where: Base-Base interactions energy: -195.775 where: short stacking energy: -105.585 Base-Backbone interact. energy: -0.468 local terms energy: -178.174809 where: bonds (distance) C4'-P energy: -40.483 bonds (distance) P-C4' energy: -56.542 flat angles C4'-P-C4' energy: -45.399 flat angles P-C4'-P energy: -24.784 tors. eta vs tors. theta energy: -10.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -333.204866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.204866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.204866 (E_RNA) where: Base-Base interactions energy: -155.413 where: short stacking energy: -110.509 Base-Backbone interact. energy: -0.695 local terms energy: -177.097389 where: bonds (distance) C4'-P energy: -44.616 bonds (distance) P-C4' energy: -59.408 flat angles C4'-P-C4' energy: -57.188 flat angles P-C4'-P energy: -18.027 tors. eta vs tors. theta energy: 2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -265.057803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.057803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.057803 (E_RNA) where: Base-Base interactions energy: -99.285 where: short stacking energy: -89.130 Base-Backbone interact. energy: -2.125 local terms energy: -163.647931 where: bonds (distance) C4'-P energy: -50.432 bonds (distance) P-C4' energy: -53.703 flat angles C4'-P-C4' energy: -45.013 flat angles P-C4'-P energy: -23.854 tors. eta vs tors. theta energy: 9.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1020.235190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.235190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.235190 (E_RNA) where: Base-Base interactions energy: -688.172 where: short stacking energy: -300.792 Base-Backbone interact. energy: -2.405 local terms energy: -329.658241 where: bonds (distance) C4'-P energy: -71.407 bonds (distance) P-C4' energy: -58.719 flat angles C4'-P-C4' energy: -69.226 flat angles P-C4'-P energy: -50.624 tors. eta vs tors. theta energy: -79.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -911.624994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.624994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.624994 (E_RNA) where: Base-Base interactions energy: -621.003 where: short stacking energy: -247.466 Base-Backbone interact. energy: -2.123 local terms energy: -288.499395 where: bonds (distance) C4'-P energy: -65.568 bonds (distance) P-C4' energy: -62.080 flat angles C4'-P-C4' energy: -66.122 flat angles P-C4'-P energy: -36.500 tors. eta vs tors. theta energy: -58.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -842.620334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.620334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.620334 (E_RNA) where: Base-Base interactions energy: -527.605 where: short stacking energy: -233.170 Base-Backbone interact. energy: 0.954 local terms energy: -315.969750 where: bonds (distance) C4'-P energy: -73.661 bonds (distance) P-C4' energy: -61.941 flat angles C4'-P-C4' energy: -66.238 flat angles P-C4'-P energy: -52.107 tors. eta vs tors. theta energy: -62.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -715.668875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.668875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.668875 (E_RNA) where: Base-Base interactions energy: -428.869 where: short stacking energy: -217.876 Base-Backbone interact. energy: -1.755 local terms energy: -285.044914 where: bonds (distance) C4'-P energy: -61.064 bonds (distance) P-C4' energy: -59.387 flat angles C4'-P-C4' energy: -64.253 flat angles P-C4'-P energy: -39.953 tors. eta vs tors. theta energy: -60.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -691.418449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.418449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.418449 (E_RNA) where: Base-Base interactions energy: -419.936 where: short stacking energy: -219.732 Base-Backbone interact. energy: -0.123 local terms energy: -271.359758 where: bonds (distance) C4'-P energy: -61.655 bonds (distance) P-C4' energy: -65.791 flat angles C4'-P-C4' energy: -65.306 flat angles P-C4'-P energy: -24.114 tors. eta vs tors. theta energy: -54.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -678.171271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.171271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.171271 (E_RNA) where: Base-Base interactions energy: -410.928 where: short stacking energy: -204.594 Base-Backbone interact. energy: -1.049 local terms energy: -266.194214 where: bonds (distance) C4'-P energy: -50.030 bonds (distance) P-C4' energy: -67.696 flat angles C4'-P-C4' energy: -51.169 flat angles P-C4'-P energy: -42.056 tors. eta vs tors. theta energy: -55.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -479.443993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.443993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.443993 (E_RNA) where: Base-Base interactions energy: -260.184 where: short stacking energy: -133.883 Base-Backbone interact. energy: -2.768 local terms energy: -216.491570 where: bonds (distance) C4'-P energy: -51.986 bonds (distance) P-C4' energy: -55.931 flat angles C4'-P-C4' energy: -45.668 flat angles P-C4'-P energy: -39.955 tors. eta vs tors. theta energy: -22.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -384.355181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.355181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.355181 (E_RNA) where: Base-Base interactions energy: -208.223 where: short stacking energy: -135.676 Base-Backbone interact. energy: -1.452 local terms energy: -174.679650 where: bonds (distance) C4'-P energy: -47.705 bonds (distance) P-C4' energy: -45.788 flat angles C4'-P-C4' energy: -43.299 flat angles P-C4'-P energy: -29.818 tors. eta vs tors. theta energy: -8.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -308.187678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.187678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.187678 (E_RNA) where: Base-Base interactions energy: -121.538 where: short stacking energy: -98.949 Base-Backbone interact. energy: -0.144 local terms energy: -186.505512 where: bonds (distance) C4'-P energy: -61.918 bonds (distance) P-C4' energy: -52.180 flat angles C4'-P-C4' energy: -53.561 flat angles P-C4'-P energy: -13.669 tors. eta vs tors. theta energy: -5.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -285.874934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.874934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.874934 (E_RNA) where: Base-Base interactions energy: -97.102 where: short stacking energy: -84.274 Base-Backbone interact. energy: 0.123 local terms energy: -188.896105 where: bonds (distance) C4'-P energy: -62.402 bonds (distance) P-C4' energy: -57.021 flat angles C4'-P-C4' energy: -41.757 flat angles P-C4'-P energy: -26.060 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1015.231588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.231588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.231588 (E_RNA) where: Base-Base interactions energy: -659.093 where: short stacking energy: -307.636 Base-Backbone interact. energy: -0.959 local terms energy: -355.178703 where: bonds (distance) C4'-P energy: -74.100 bonds (distance) P-C4' energy: -70.261 flat angles C4'-P-C4' energy: -70.000 flat angles P-C4'-P energy: -50.049 tors. eta vs tors. theta energy: -90.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -941.063184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.063184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.063184 (E_RNA) where: Base-Base interactions energy: -648.495 where: short stacking energy: -272.596 Base-Backbone interact. energy: 1.348 local terms energy: -293.916175 where: bonds (distance) C4'-P energy: -57.902 bonds (distance) P-C4' energy: -65.153 flat angles C4'-P-C4' energy: -65.121 flat angles P-C4'-P energy: -43.308 tors. eta vs tors. theta energy: -62.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -895.309785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.309785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.309785 (E_RNA) where: Base-Base interactions energy: -603.508 where: short stacking energy: -278.205 Base-Backbone interact. energy: -0.822 local terms energy: -290.980697 where: bonds (distance) C4'-P energy: -62.441 bonds (distance) P-C4' energy: -65.614 flat angles C4'-P-C4' energy: -59.631 flat angles P-C4'-P energy: -31.570 tors. eta vs tors. theta energy: -71.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -757.545979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.545979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.545979 (E_RNA) where: Base-Base interactions energy: -459.026 where: short stacking energy: -252.841 Base-Backbone interact. energy: 3.886 local terms energy: -302.405868 where: bonds (distance) C4'-P energy: -58.327 bonds (distance) P-C4' energy: -65.876 flat angles C4'-P-C4' energy: -63.989 flat angles P-C4'-P energy: -45.131 tors. eta vs tors. theta energy: -69.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -698.773467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.773467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.773467 (E_RNA) where: Base-Base interactions energy: -442.140 where: short stacking energy: -226.046 Base-Backbone interact. energy: 1.146 local terms energy: -257.779214 where: bonds (distance) C4'-P energy: -53.846 bonds (distance) P-C4' energy: -61.398 flat angles C4'-P-C4' energy: -48.498 flat angles P-C4'-P energy: -37.211 tors. eta vs tors. theta energy: -56.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -693.660705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.660705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.660705 (E_RNA) where: Base-Base interactions energy: -426.496 where: short stacking energy: -229.836 Base-Backbone interact. energy: -1.269 local terms energy: -265.895127 where: bonds (distance) C4'-P energy: -48.653 bonds (distance) P-C4' energy: -48.682 flat angles C4'-P-C4' energy: -58.146 flat angles P-C4'-P energy: -43.935 tors. eta vs tors. theta energy: -66.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -533.416089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.416089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.416089 (E_RNA) where: Base-Base interactions energy: -316.900 where: short stacking energy: -136.478 Base-Backbone interact. energy: 3.586 local terms energy: -220.102567 where: bonds (distance) C4'-P energy: -54.123 bonds (distance) P-C4' energy: -58.186 flat angles C4'-P-C4' energy: -49.868 flat angles P-C4'-P energy: -32.217 tors. eta vs tors. theta energy: -25.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -447.364063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.364063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.364063 (E_RNA) where: Base-Base interactions energy: -238.153 where: short stacking energy: -128.836 Base-Backbone interact. energy: -1.251 local terms energy: -207.960284 where: bonds (distance) C4'-P energy: -48.357 bonds (distance) P-C4' energy: -54.961 flat angles C4'-P-C4' energy: -61.383 flat angles P-C4'-P energy: -26.271 tors. eta vs tors. theta energy: -16.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -316.732728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.732728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.732728 (E_RNA) where: Base-Base interactions energy: -144.504 where: short stacking energy: -102.700 Base-Backbone interact. energy: -0.534 local terms energy: -171.694779 where: bonds (distance) C4'-P energy: -44.394 bonds (distance) P-C4' energy: -52.132 flat angles C4'-P-C4' energy: -45.148 flat angles P-C4'-P energy: -29.001 tors. eta vs tors. theta energy: -1.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -284.284306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.284306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.284306 (E_RNA) where: Base-Base interactions energy: -109.078 where: short stacking energy: -62.169 Base-Backbone interact. energy: 0.528 local terms energy: -175.735029 where: bonds (distance) C4'-P energy: -60.842 bonds (distance) P-C4' energy: -61.154 flat angles C4'-P-C4' energy: -52.193 flat angles P-C4'-P energy: -15.352 tors. eta vs tors. theta energy: 13.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1026.145612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.145612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.145612 (E_RNA) where: Base-Base interactions energy: -692.198 where: short stacking energy: -304.638 Base-Backbone interact. energy: -2.064 local terms energy: -331.883857 where: bonds (distance) C4'-P energy: -67.952 bonds (distance) P-C4' energy: -66.034 flat angles C4'-P-C4' energy: -69.366 flat angles P-C4'-P energy: -50.515 tors. eta vs tors. theta energy: -78.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -913.109039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.109039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.109039 (E_RNA) where: Base-Base interactions energy: -602.662 where: short stacking energy: -270.305 Base-Backbone interact. energy: -0.577 local terms energy: -309.869727 where: bonds (distance) C4'-P energy: -55.543 bonds (distance) P-C4' energy: -63.817 flat angles C4'-P-C4' energy: -76.576 flat angles P-C4'-P energy: -37.970 tors. eta vs tors. theta energy: -75.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -887.955585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.955585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.955585 (E_RNA) where: Base-Base interactions energy: -584.414 where: short stacking energy: -272.301 Base-Backbone interact. energy: -2.178 local terms energy: -301.363464 where: bonds (distance) C4'-P energy: -61.668 bonds (distance) P-C4' energy: -63.433 flat angles C4'-P-C4' energy: -69.360 flat angles P-C4'-P energy: -38.050 tors. eta vs tors. theta energy: -68.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -768.030820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.030820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.030820 (E_RNA) where: Base-Base interactions energy: -477.678 where: short stacking energy: -240.985 Base-Backbone interact. energy: -2.774 local terms energy: -287.578581 where: bonds (distance) C4'-P energy: -56.623 bonds (distance) P-C4' energy: -56.145 flat angles C4'-P-C4' energy: -65.766 flat angles P-C4'-P energy: -39.849 tors. eta vs tors. theta energy: -69.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -731.567972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.567972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.567972 (E_RNA) where: Base-Base interactions energy: -429.488 where: short stacking energy: -228.915 Base-Backbone interact. energy: 0.492 local terms energy: -302.571217 where: bonds (distance) C4'-P energy: -53.517 bonds (distance) P-C4' energy: -69.396 flat angles C4'-P-C4' energy: -72.362 flat angles P-C4'-P energy: -48.498 tors. eta vs tors. theta energy: -58.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -688.406309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.406309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.406309 (E_RNA) where: Base-Base interactions energy: -441.163 where: short stacking energy: -210.638 Base-Backbone interact. energy: -0.530 local terms energy: -246.713226 where: bonds (distance) C4'-P energy: -56.085 bonds (distance) P-C4' energy: -56.880 flat angles C4'-P-C4' energy: -52.510 flat angles P-C4'-P energy: -32.278 tors. eta vs tors. theta energy: -48.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -574.795787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.795787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.795787 (E_RNA) where: Base-Base interactions energy: -350.072 where: short stacking energy: -150.556 Base-Backbone interact. energy: -1.646 local terms energy: -223.076896 where: bonds (distance) C4'-P energy: -60.446 bonds (distance) P-C4' energy: -57.358 flat angles C4'-P-C4' energy: -56.818 flat angles P-C4'-P energy: -22.773 tors. eta vs tors. theta energy: -25.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -451.899286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.899286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.899286 (E_RNA) where: Base-Base interactions energy: -245.468 where: short stacking energy: -127.167 Base-Backbone interact. energy: -0.767 local terms energy: -205.664654 where: bonds (distance) C4'-P energy: -50.984 bonds (distance) P-C4' energy: -53.474 flat angles C4'-P-C4' energy: -53.460 flat angles P-C4'-P energy: -32.585 tors. eta vs tors. theta energy: -15.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -301.118369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.118369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.118369 (E_RNA) where: Base-Base interactions energy: -108.842 where: short stacking energy: -100.035 Base-Backbone interact. energy: -0.081 local terms energy: -192.195885 where: bonds (distance) C4'-P energy: -49.490 bonds (distance) P-C4' energy: -54.215 flat angles C4'-P-C4' energy: -47.554 flat angles P-C4'-P energy: -34.145 tors. eta vs tors. theta energy: -6.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -277.280544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.280544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.280544 (E_RNA) where: Base-Base interactions energy: -100.863 where: short stacking energy: -92.957 Base-Backbone interact. energy: 1.143 local terms energy: -177.560211 where: bonds (distance) C4'-P energy: -57.993 bonds (distance) P-C4' energy: -53.756 flat angles C4'-P-C4' energy: -34.752 flat angles P-C4'-P energy: -29.108 tors. eta vs tors. theta energy: -1.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1029.460886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.460886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.460886 (E_RNA) where: Base-Base interactions energy: -688.519 where: short stacking energy: -303.990 Base-Backbone interact. energy: -1.887 local terms energy: -339.054695 where: bonds (distance) C4'-P energy: -67.216 bonds (distance) P-C4' energy: -68.559 flat angles C4'-P-C4' energy: -63.145 flat angles P-C4'-P energy: -61.225 tors. eta vs tors. theta energy: -78.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -953.194245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.194245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.194245 (E_RNA) where: Base-Base interactions energy: -636.625 where: short stacking energy: -253.448 Base-Backbone interact. energy: -1.975 local terms energy: -314.595004 where: bonds (distance) C4'-P energy: -57.397 bonds (distance) P-C4' energy: -63.212 flat angles C4'-P-C4' energy: -75.929 flat angles P-C4'-P energy: -48.146 tors. eta vs tors. theta energy: -69.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -917.696318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.696318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.696318 (E_RNA) where: Base-Base interactions energy: -602.515 where: short stacking energy: -271.762 Base-Backbone interact. energy: -1.483 local terms energy: -313.698326 where: bonds (distance) C4'-P energy: -65.960 bonds (distance) P-C4' energy: -51.206 flat angles C4'-P-C4' energy: -67.983 flat angles P-C4'-P energy: -47.814 tors. eta vs tors. theta energy: -80.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -799.787316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.787316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.787316 (E_RNA) where: Base-Base interactions energy: -510.005 where: short stacking energy: -260.836 Base-Backbone interact. energy: 0.824 local terms energy: -290.606431 where: bonds (distance) C4'-P energy: -49.899 bonds (distance) P-C4' energy: -62.795 flat angles C4'-P-C4' energy: -63.067 flat angles P-C4'-P energy: -43.213 tors. eta vs tors. theta energy: -71.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -715.789583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.789583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.789583 (E_RNA) where: Base-Base interactions energy: -445.101 where: short stacking energy: -200.288 Base-Backbone interact. energy: -0.989 local terms energy: -269.698908 where: bonds (distance) C4'-P energy: -64.533 bonds (distance) P-C4' energy: -61.374 flat angles C4'-P-C4' energy: -54.428 flat angles P-C4'-P energy: -33.557 tors. eta vs tors. theta energy: -55.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -688.230045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.230045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.230045 (E_RNA) where: Base-Base interactions energy: -412.583 where: short stacking energy: -209.844 Base-Backbone interact. energy: -2.032 local terms energy: -273.614168 where: bonds (distance) C4'-P energy: -62.680 bonds (distance) P-C4' energy: -60.872 flat angles C4'-P-C4' energy: -64.923 flat angles P-C4'-P energy: -29.243 tors. eta vs tors. theta energy: -55.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -596.683715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.683715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.683715 (E_RNA) where: Base-Base interactions energy: -368.447 where: short stacking energy: -179.647 Base-Backbone interact. energy: -0.741 local terms energy: -227.495254 where: bonds (distance) C4'-P energy: -58.207 bonds (distance) P-C4' energy: -47.323 flat angles C4'-P-C4' energy: -54.786 flat angles P-C4'-P energy: -41.137 tors. eta vs tors. theta energy: -26.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -472.420882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.420882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.420882 (E_RNA) where: Base-Base interactions energy: -257.820 where: short stacking energy: -143.132 Base-Backbone interact. energy: -2.248 local terms energy: -212.353041 where: bonds (distance) C4'-P energy: -53.800 bonds (distance) P-C4' energy: -68.773 flat angles C4'-P-C4' energy: -51.844 flat angles P-C4'-P energy: -24.617 tors. eta vs tors. theta energy: -13.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -309.758159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.758159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.758159 (E_RNA) where: Base-Base interactions energy: -115.552 where: short stacking energy: -96.122 Base-Backbone interact. energy: -2.411 local terms energy: -191.795891 where: bonds (distance) C4'-P energy: -54.074 bonds (distance) P-C4' energy: -52.394 flat angles C4'-P-C4' energy: -56.497 flat angles P-C4'-P energy: -28.576 tors. eta vs tors. theta energy: -0.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -254.709188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.709188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.709188 (E_RNA) where: Base-Base interactions energy: -93.866 where: short stacking energy: -82.753 Base-Backbone interact. energy: -1.288 local terms energy: -159.555171 where: bonds (distance) C4'-P energy: -43.127 bonds (distance) P-C4' energy: -52.211 flat angles C4'-P-C4' energy: -42.505 flat angles P-C4'-P energy: -23.952 tors. eta vs tors. theta energy: 2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1025.510991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.510991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.510991 (E_RNA) where: Base-Base interactions energy: -703.512 where: short stacking energy: -292.399 Base-Backbone interact. energy: -1.905 local terms energy: -320.094599 where: bonds (distance) C4'-P energy: -64.557 bonds (distance) P-C4' energy: -62.251 flat angles C4'-P-C4' energy: -72.591 flat angles P-C4'-P energy: -47.608 tors. eta vs tors. theta energy: -73.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -940.431349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.431349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.431349 (E_RNA) where: Base-Base interactions energy: -618.579 where: short stacking energy: -280.272 Base-Backbone interact. energy: 0.640 local terms energy: -322.493105 where: bonds (distance) C4'-P energy: -62.592 bonds (distance) P-C4' energy: -71.880 flat angles C4'-P-C4' energy: -70.750 flat angles P-C4'-P energy: -52.514 tors. eta vs tors. theta energy: -64.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -866.719490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.719490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.719490 (E_RNA) where: Base-Base interactions energy: -557.401 where: short stacking energy: -256.930 Base-Backbone interact. energy: -0.925 local terms energy: -308.393733 where: bonds (distance) C4'-P energy: -63.182 bonds (distance) P-C4' energy: -67.340 flat angles C4'-P-C4' energy: -69.682 flat angles P-C4'-P energy: -49.071 tors. eta vs tors. theta energy: -59.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -788.988810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.988810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.988810 (E_RNA) where: Base-Base interactions energy: -489.507 where: short stacking energy: -236.711 Base-Backbone interact. energy: 0.581 local terms energy: -300.063214 where: bonds (distance) C4'-P energy: -58.615 bonds (distance) P-C4' energy: -54.319 flat angles C4'-P-C4' energy: -76.859 flat angles P-C4'-P energy: -51.040 tors. eta vs tors. theta energy: -59.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -707.361304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.361304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.361304 (E_RNA) where: Base-Base interactions energy: -437.064 where: short stacking energy: -229.092 Base-Backbone interact. energy: -0.404 local terms energy: -269.893182 where: bonds (distance) C4'-P energy: -61.358 bonds (distance) P-C4' energy: -58.656 flat angles C4'-P-C4' energy: -53.672 flat angles P-C4'-P energy: -40.282 tors. eta vs tors. theta energy: -55.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -700.890381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.890381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.890381 (E_RNA) where: Base-Base interactions energy: -440.209 where: short stacking energy: -214.503 Base-Backbone interact. energy: -1.328 local terms energy: -259.353907 where: bonds (distance) C4'-P energy: -46.316 bonds (distance) P-C4' energy: -59.411 flat angles C4'-P-C4' energy: -54.029 flat angles P-C4'-P energy: -37.868 tors. eta vs tors. theta energy: -61.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -558.866301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.866301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.866301 (E_RNA) where: Base-Base interactions energy: -336.860 where: short stacking energy: -161.056 Base-Backbone interact. energy: -0.169 local terms energy: -221.836623 where: bonds (distance) C4'-P energy: -60.134 bonds (distance) P-C4' energy: -56.255 flat angles C4'-P-C4' energy: -52.809 flat angles P-C4'-P energy: -26.361 tors. eta vs tors. theta energy: -26.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -501.583300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.583300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.583300 (E_RNA) where: Base-Base interactions energy: -272.125 where: short stacking energy: -137.098 Base-Backbone interact. energy: -1.554 local terms energy: -227.903591 where: bonds (distance) C4'-P energy: -57.587 bonds (distance) P-C4' energy: -56.260 flat angles C4'-P-C4' energy: -53.923 flat angles P-C4'-P energy: -33.724 tors. eta vs tors. theta energy: -26.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -295.938205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.938205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.938205 (E_RNA) where: Base-Base interactions energy: -114.783 where: short stacking energy: -100.197 Base-Backbone interact. energy: -1.100 local terms energy: -180.054994 where: bonds (distance) C4'-P energy: -53.127 bonds (distance) P-C4' energy: -42.614 flat angles C4'-P-C4' energy: -50.259 flat angles P-C4'-P energy: -34.901 tors. eta vs tors. theta energy: 0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -287.085396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.085396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.085396 (E_RNA) where: Base-Base interactions energy: -103.485 where: short stacking energy: -74.573 Base-Backbone interact. energy: 4.197 local terms energy: -187.797631 where: bonds (distance) C4'-P energy: -59.141 bonds (distance) P-C4' energy: -55.079 flat angles C4'-P-C4' energy: -52.556 flat angles P-C4'-P energy: -27.310 tors. eta vs tors. theta energy: 6.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1038.128168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.128168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.128168 (E_RNA) where: Base-Base interactions energy: -711.043 where: short stacking energy: -296.304 Base-Backbone interact. energy: -1.875 local terms energy: -325.210887 where: bonds (distance) C4'-P energy: -65.761 bonds (distance) P-C4' energy: -62.796 flat angles C4'-P-C4' energy: -76.950 flat angles P-C4'-P energy: -43.433 tors. eta vs tors. theta energy: -76.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -973.913917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.913917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.913917 (E_RNA) where: Base-Base interactions energy: -646.594 where: short stacking energy: -279.153 Base-Backbone interact. energy: 0.065 local terms energy: -327.384729 where: bonds (distance) C4'-P energy: -66.952 bonds (distance) P-C4' energy: -66.037 flat angles C4'-P-C4' energy: -69.773 flat angles P-C4'-P energy: -50.296 tors. eta vs tors. theta energy: -74.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -886.708961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.708961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.708961 (E_RNA) where: Base-Base interactions energy: -582.967 where: short stacking energy: -274.558 Base-Backbone interact. energy: -0.889 local terms energy: -302.852255 where: bonds (distance) C4'-P energy: -56.335 bonds (distance) P-C4' energy: -63.991 flat angles C4'-P-C4' energy: -65.353 flat angles P-C4'-P energy: -39.913 tors. eta vs tors. theta energy: -77.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -821.816438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.816438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.816438 (E_RNA) where: Base-Base interactions energy: -526.643 where: short stacking energy: -239.317 Base-Backbone interact. energy: -1.930 local terms energy: -293.242947 where: bonds (distance) C4'-P energy: -43.301 bonds (distance) P-C4' energy: -60.893 flat angles C4'-P-C4' energy: -66.926 flat angles P-C4'-P energy: -49.171 tors. eta vs tors. theta energy: -72.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -740.190330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.190330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.190330 (E_RNA) where: Base-Base interactions energy: -467.879 where: short stacking energy: -220.692 Base-Backbone interact. energy: -1.676 local terms energy: -270.635285 where: bonds (distance) C4'-P energy: -51.770 bonds (distance) P-C4' energy: -62.193 flat angles C4'-P-C4' energy: -60.565 flat angles P-C4'-P energy: -41.984 tors. eta vs tors. theta energy: -54.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -678.148517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.148517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.148517 (E_RNA) where: Base-Base interactions energy: -420.197 where: short stacking energy: -214.376 Base-Backbone interact. energy: 0.198 local terms energy: -258.149626 where: bonds (distance) C4'-P energy: -46.573 bonds (distance) P-C4' energy: -60.246 flat angles C4'-P-C4' energy: -57.731 flat angles P-C4'-P energy: -34.834 tors. eta vs tors. theta energy: -58.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -606.337538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.337538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.337538 (E_RNA) where: Base-Base interactions energy: -362.257 where: short stacking energy: -175.269 Base-Backbone interact. energy: -1.655 local terms energy: -242.425614 where: bonds (distance) C4'-P energy: -62.003 bonds (distance) P-C4' energy: -54.294 flat angles C4'-P-C4' energy: -59.876 flat angles P-C4'-P energy: -38.992 tors. eta vs tors. theta energy: -27.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -518.773722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.773722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.773722 (E_RNA) where: Base-Base interactions energy: -307.144 where: short stacking energy: -162.538 Base-Backbone interact. energy: -0.833 local terms energy: -210.797335 where: bonds (distance) C4'-P energy: -42.482 bonds (distance) P-C4' energy: -52.268 flat angles C4'-P-C4' energy: -51.944 flat angles P-C4'-P energy: -30.413 tors. eta vs tors. theta energy: -33.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -292.509414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.509414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.509414 (E_RNA) where: Base-Base interactions energy: -122.019 where: short stacking energy: -87.663 Base-Backbone interact. energy: 0.028 local terms energy: -170.518636 where: bonds (distance) C4'-P energy: -47.704 bonds (distance) P-C4' energy: -57.555 flat angles C4'-P-C4' energy: -45.785 flat angles P-C4'-P energy: -30.510 tors. eta vs tors. theta energy: 11.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -269.112699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.112699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.112699 (E_RNA) where: Base-Base interactions energy: -120.397 where: short stacking energy: -74.594 Base-Backbone interact. energy: -0.619 local terms energy: -148.096710 where: bonds (distance) C4'-P energy: -42.322 bonds (distance) P-C4' energy: -46.661 flat angles C4'-P-C4' energy: -35.801 flat angles P-C4'-P energy: -25.145 tors. eta vs tors. theta energy: 1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1041.432696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.432696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.432696 (E_RNA) where: Base-Base interactions energy: -723.230 where: short stacking energy: -291.168 Base-Backbone interact. energy: -3.033 local terms energy: -315.169537 where: bonds (distance) C4'-P energy: -56.984 bonds (distance) P-C4' energy: -65.736 flat angles C4'-P-C4' energy: -67.787 flat angles P-C4'-P energy: -44.138 tors. eta vs tors. theta energy: -80.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -969.933056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.933056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.933056 (E_RNA) where: Base-Base interactions energy: -660.955 where: short stacking energy: -283.574 Base-Backbone interact. energy: 0.752 local terms energy: -309.729792 where: bonds (distance) C4'-P energy: -61.707 bonds (distance) P-C4' energy: -69.741 flat angles C4'-P-C4' energy: -63.742 flat angles P-C4'-P energy: -44.807 tors. eta vs tors. theta energy: -69.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -870.327955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.327955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.327955 (E_RNA) where: Base-Base interactions energy: -558.229 where: short stacking energy: -256.675 Base-Backbone interact. energy: -0.685 local terms energy: -311.413802 where: bonds (distance) C4'-P energy: -54.313 bonds (distance) P-C4' energy: -65.919 flat angles C4'-P-C4' energy: -72.317 flat angles P-C4'-P energy: -48.221 tors. eta vs tors. theta energy: -70.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -797.583310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.583310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.583310 (E_RNA) where: Base-Base interactions energy: -523.698 where: short stacking energy: -238.313 Base-Backbone interact. energy: -1.997 local terms energy: -271.888383 where: bonds (distance) C4'-P energy: -57.159 bonds (distance) P-C4' energy: -62.874 flat angles C4'-P-C4' energy: -58.531 flat angles P-C4'-P energy: -37.483 tors. eta vs tors. theta energy: -55.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -763.095678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.095678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.095678 (E_RNA) where: Base-Base interactions energy: -477.913 where: short stacking energy: -245.918 Base-Backbone interact. energy: -2.281 local terms energy: -282.902095 where: bonds (distance) C4'-P energy: -60.781 bonds (distance) P-C4' energy: -62.211 flat angles C4'-P-C4' energy: -55.575 flat angles P-C4'-P energy: -40.363 tors. eta vs tors. theta energy: -63.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -674.825223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.825223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.825223 (E_RNA) where: Base-Base interactions energy: -390.015 where: short stacking energy: -200.456 Base-Backbone interact. energy: -1.062 local terms energy: -283.748480 where: bonds (distance) C4'-P energy: -65.353 bonds (distance) P-C4' energy: -63.475 flat angles C4'-P-C4' energy: -63.797 flat angles P-C4'-P energy: -41.778 tors. eta vs tors. theta energy: -49.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -584.157481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.157481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.157481 (E_RNA) where: Base-Base interactions energy: -369.226 where: short stacking energy: -160.508 Base-Backbone interact. energy: -1.958 local terms energy: -212.973126 where: bonds (distance) C4'-P energy: -65.509 bonds (distance) P-C4' energy: -54.490 flat angles C4'-P-C4' energy: -51.513 flat angles P-C4'-P energy: -24.257 tors. eta vs tors. theta energy: -17.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -530.194755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.194755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.194755 (E_RNA) where: Base-Base interactions energy: -303.090 where: short stacking energy: -159.143 Base-Backbone interact. energy: -0.998 local terms energy: -226.107348 where: bonds (distance) C4'-P energy: -51.623 bonds (distance) P-C4' energy: -54.838 flat angles C4'-P-C4' energy: -53.150 flat angles P-C4'-P energy: -33.167 tors. eta vs tors. theta energy: -33.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -290.096012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.096012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.096012 (E_RNA) where: Base-Base interactions energy: -102.153 where: short stacking energy: -89.046 Base-Backbone interact. energy: -1.481 local terms energy: -186.461989 where: bonds (distance) C4'-P energy: -58.259 bonds (distance) P-C4' energy: -58.559 flat angles C4'-P-C4' energy: -43.987 flat angles P-C4'-P energy: -30.797 tors. eta vs tors. theta energy: 5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -306.550329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.550329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.550329 (E_RNA) where: Base-Base interactions energy: -133.535 where: short stacking energy: -103.907 Base-Backbone interact. energy: -0.863 local terms energy: -172.152247 where: bonds (distance) C4'-P energy: -47.513 bonds (distance) P-C4' energy: -56.886 flat angles C4'-P-C4' energy: -43.966 flat angles P-C4'-P energy: -20.764 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -996.209534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.209534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.209534 (E_RNA) where: Base-Base interactions energy: -668.921 where: short stacking energy: -278.182 Base-Backbone interact. energy: -0.722 local terms energy: -326.566836 where: bonds (distance) C4'-P energy: -58.388 bonds (distance) P-C4' energy: -72.426 flat angles C4'-P-C4' energy: -78.333 flat angles P-C4'-P energy: -48.714 tors. eta vs tors. theta energy: -68.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -980.021042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.021042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.021042 (E_RNA) where: Base-Base interactions energy: -663.281 where: short stacking energy: -306.318 Base-Backbone interact. energy: -3.691 local terms energy: -313.049123 where: bonds (distance) C4'-P energy: -60.030 bonds (distance) P-C4' energy: -61.125 flat angles C4'-P-C4' energy: -71.785 flat angles P-C4'-P energy: -41.395 tors. eta vs tors. theta energy: -78.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -854.909045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.909045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.909045 (E_RNA) where: Base-Base interactions energy: -555.776 where: short stacking energy: -271.409 Base-Backbone interact. energy: -0.929 local terms energy: -298.204429 where: bonds (distance) C4'-P energy: -61.322 bonds (distance) P-C4' energy: -64.342 flat angles C4'-P-C4' energy: -58.919 flat angles P-C4'-P energy: -38.480 tors. eta vs tors. theta energy: -75.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -865.829558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.829558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.829558 (E_RNA) where: Base-Base interactions energy: -572.689 where: short stacking energy: -259.017 Base-Backbone interact. energy: 1.209 local terms energy: -294.349766 where: bonds (distance) C4'-P energy: -62.032 bonds (distance) P-C4' energy: -63.603 flat angles C4'-P-C4' energy: -62.066 flat angles P-C4'-P energy: -32.055 tors. eta vs tors. theta energy: -74.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -722.280236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.280236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.280236 (E_RNA) where: Base-Base interactions energy: -446.898 where: short stacking energy: -204.490 Base-Backbone interact. energy: -1.731 local terms energy: -273.651367 where: bonds (distance) C4'-P energy: -59.975 bonds (distance) P-C4' energy: -62.337 flat angles C4'-P-C4' energy: -67.978 flat angles P-C4'-P energy: -37.362 tors. eta vs tors. theta energy: -45.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -678.928985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.928985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.928985 (E_RNA) where: Base-Base interactions energy: -396.287 where: short stacking energy: -201.834 Base-Backbone interact. energy: -1.790 local terms energy: -280.851748 where: bonds (distance) C4'-P energy: -59.818 bonds (distance) P-C4' energy: -67.366 flat angles C4'-P-C4' energy: -60.496 flat angles P-C4'-P energy: -42.715 tors. eta vs tors. theta energy: -50.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -564.800435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.800435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.800435 (E_RNA) where: Base-Base interactions energy: -325.685 where: short stacking energy: -184.999 Base-Backbone interact. energy: -0.306 local terms energy: -238.808917 where: bonds (distance) C4'-P energy: -56.487 bonds (distance) P-C4' energy: -53.626 flat angles C4'-P-C4' energy: -56.583 flat angles P-C4'-P energy: -32.523 tors. eta vs tors. theta energy: -39.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -540.400756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.400756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.400756 (E_RNA) where: Base-Base interactions energy: -300.839 where: short stacking energy: -144.280 Base-Backbone interact. energy: -1.095 local terms energy: -238.466635 where: bonds (distance) C4'-P energy: -60.913 bonds (distance) P-C4' energy: -63.016 flat angles C4'-P-C4' energy: -54.052 flat angles P-C4'-P energy: -28.855 tors. eta vs tors. theta energy: -31.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -296.257048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.257048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.257048 (E_RNA) where: Base-Base interactions energy: -117.321 where: short stacking energy: -87.067 Base-Backbone interact. energy: 2.036 local terms energy: -180.971535 where: bonds (distance) C4'-P energy: -58.151 bonds (distance) P-C4' energy: -65.773 flat angles C4'-P-C4' energy: -39.330 flat angles P-C4'-P energy: -28.467 tors. eta vs tors. theta energy: 10.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -264.457637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.457637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.457637 (E_RNA) where: Base-Base interactions energy: -95.747 where: short stacking energy: -80.652 Base-Backbone interact. energy: -0.271 local terms energy: -168.439810 where: bonds (distance) C4'-P energy: -50.113 bonds (distance) P-C4' energy: -53.849 flat angles C4'-P-C4' energy: -40.695 flat angles P-C4'-P energy: -31.349 tors. eta vs tors. theta energy: 7.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -991.105794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.105794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.105794 (E_RNA) where: Base-Base interactions energy: -674.680 where: short stacking energy: -300.864 Base-Backbone interact. energy: 2.477 local terms energy: -318.903687 where: bonds (distance) C4'-P energy: -66.793 bonds (distance) P-C4' energy: -63.104 flat angles C4'-P-C4' energy: -65.601 flat angles P-C4'-P energy: -45.635 tors. eta vs tors. theta energy: -77.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1003.412657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.412657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.412657 (E_RNA) where: Base-Base interactions energy: -690.602 where: short stacking energy: -310.549 Base-Backbone interact. energy: -1.920 local terms energy: -310.890116 where: bonds (distance) C4'-P energy: -56.789 bonds (distance) P-C4' energy: -59.053 flat angles C4'-P-C4' energy: -67.797 flat angles P-C4'-P energy: -45.619 tors. eta vs tors. theta energy: -81.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -868.028517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.028517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.028517 (E_RNA) where: Base-Base interactions energy: -553.231 where: short stacking energy: -271.654 Base-Backbone interact. energy: 0.006 local terms energy: -314.803552 where: bonds (distance) C4'-P energy: -63.110 bonds (distance) P-C4' energy: -66.188 flat angles C4'-P-C4' energy: -64.598 flat angles P-C4'-P energy: -40.746 tors. eta vs tors. theta energy: -80.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -865.692948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.692948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.692948 (E_RNA) where: Base-Base interactions energy: -552.060 where: short stacking energy: -259.135 Base-Backbone interact. energy: -1.040 local terms energy: -312.592244 where: bonds (distance) C4'-P energy: -65.870 bonds (distance) P-C4' energy: -51.703 flat angles C4'-P-C4' energy: -63.714 flat angles P-C4'-P energy: -52.295 tors. eta vs tors. theta energy: -79.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -745.247226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.247226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.247226 (E_RNA) where: Base-Base interactions energy: -461.051 where: short stacking energy: -200.201 Base-Backbone interact. energy: -1.538 local terms energy: -282.658448 where: bonds (distance) C4'-P energy: -60.079 bonds (distance) P-C4' energy: -61.096 flat angles C4'-P-C4' energy: -69.450 flat angles P-C4'-P energy: -35.542 tors. eta vs tors. theta energy: -56.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -723.430948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.430948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.430948 (E_RNA) where: Base-Base interactions energy: -432.721 where: short stacking energy: -222.359 Base-Backbone interact. energy: -1.362 local terms energy: -289.347587 where: bonds (distance) C4'-P energy: -60.683 bonds (distance) P-C4' energy: -61.969 flat angles C4'-P-C4' energy: -56.631 flat angles P-C4'-P energy: -47.554 tors. eta vs tors. theta energy: -62.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -534.607241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.607241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.607241 (E_RNA) where: Base-Base interactions energy: -300.969 where: short stacking energy: -132.464 Base-Backbone interact. energy: 0.512 local terms energy: -234.150091 where: bonds (distance) C4'-P energy: -53.328 bonds (distance) P-C4' energy: -58.464 flat angles C4'-P-C4' energy: -63.064 flat angles P-C4'-P energy: -31.789 tors. eta vs tors. theta energy: -27.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -547.805742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.805742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.805742 (E_RNA) where: Base-Base interactions energy: -326.945 where: short stacking energy: -165.234 Base-Backbone interact. energy: 0.314 local terms energy: -221.174971 where: bonds (distance) C4'-P energy: -52.711 bonds (distance) P-C4' energy: -54.553 flat angles C4'-P-C4' energy: -52.655 flat angles P-C4'-P energy: -30.261 tors. eta vs tors. theta energy: -30.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -318.371026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.371026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.371026 (E_RNA) where: Base-Base interactions energy: -137.699 where: short stacking energy: -96.150 Base-Backbone interact. energy: 0.056 local terms energy: -180.727706 where: bonds (distance) C4'-P energy: -58.048 bonds (distance) P-C4' energy: -42.690 flat angles C4'-P-C4' energy: -46.967 flat angles P-C4'-P energy: -30.333 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -280.292962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.292962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.292962 (E_RNA) where: Base-Base interactions energy: -82.264 where: short stacking energy: -74.537 Base-Backbone interact. energy: 3.276 local terms energy: -201.305044 where: bonds (distance) C4'-P energy: -60.914 bonds (distance) P-C4' energy: -55.665 flat angles C4'-P-C4' energy: -54.216 flat angles P-C4'-P energy: -31.254 tors. eta vs tors. theta energy: 0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1028.569050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.569050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.569050 (E_RNA) where: Base-Base interactions energy: -694.724 where: short stacking energy: -308.812 Base-Backbone interact. energy: -0.345 local terms energy: -333.500424 where: bonds (distance) C4'-P energy: -71.135 bonds (distance) P-C4' energy: -59.675 flat angles C4'-P-C4' energy: -72.313 flat angles P-C4'-P energy: -42.526 tors. eta vs tors. theta energy: -87.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -982.526305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.526305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.526305 (E_RNA) where: Base-Base interactions energy: -668.891 where: short stacking energy: -280.740 Base-Backbone interact. energy: 1.488 local terms energy: -315.123534 where: bonds (distance) C4'-P energy: -57.284 bonds (distance) P-C4' energy: -64.603 flat angles C4'-P-C4' energy: -62.584 flat angles P-C4'-P energy: -56.453 tors. eta vs tors. theta energy: -74.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -882.019019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.019019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.019019 (E_RNA) where: Base-Base interactions energy: -580.063 where: short stacking energy: -250.599 Base-Backbone interact. energy: -2.034 local terms energy: -299.922343 where: bonds (distance) C4'-P energy: -64.193 bonds (distance) P-C4' energy: -62.790 flat angles C4'-P-C4' energy: -65.339 flat angles P-C4'-P energy: -38.023 tors. eta vs tors. theta energy: -69.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -798.977540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.977540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.977540 (E_RNA) where: Base-Base interactions energy: -523.404 where: short stacking energy: -248.664 Base-Backbone interact. energy: -0.743 local terms energy: -274.830323 where: bonds (distance) C4'-P energy: -50.228 bonds (distance) P-C4' energy: -65.185 flat angles C4'-P-C4' energy: -66.978 flat angles P-C4'-P energy: -31.827 tors. eta vs tors. theta energy: -60.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -754.146584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.146584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.146584 (E_RNA) where: Base-Base interactions energy: -462.977 where: short stacking energy: -227.395 Base-Backbone interact. energy: -0.471 local terms energy: -290.698964 where: bonds (distance) C4'-P energy: -48.410 bonds (distance) P-C4' energy: -67.111 flat angles C4'-P-C4' energy: -64.060 flat angles P-C4'-P energy: -41.244 tors. eta vs tors. theta energy: -69.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -743.826121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.826121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.826121 (E_RNA) where: Base-Base interactions energy: -474.704 where: short stacking energy: -223.868 Base-Backbone interact. energy: -1.194 local terms energy: -267.928748 where: bonds (distance) C4'-P energy: -60.745 bonds (distance) P-C4' energy: -54.066 flat angles C4'-P-C4' energy: -58.188 flat angles P-C4'-P energy: -37.655 tors. eta vs tors. theta energy: -57.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -529.878209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.878209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.878209 (E_RNA) where: Base-Base interactions energy: -296.757 where: short stacking energy: -156.237 Base-Backbone interact. energy: 0.903 local terms energy: -234.023990 where: bonds (distance) C4'-P energy: -52.061 bonds (distance) P-C4' energy: -54.381 flat angles C4'-P-C4' energy: -58.383 flat angles P-C4'-P energy: -41.868 tors. eta vs tors. theta energy: -27.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -480.957083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.957083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.957083 (E_RNA) where: Base-Base interactions energy: -256.921 where: short stacking energy: -126.875 Base-Backbone interact. energy: 1.539 local terms energy: -225.574892 where: bonds (distance) C4'-P energy: -57.829 bonds (distance) P-C4' energy: -52.969 flat angles C4'-P-C4' energy: -66.044 flat angles P-C4'-P energy: -24.478 tors. eta vs tors. theta energy: -24.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -278.012929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.012929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.012929 (E_RNA) where: Base-Base interactions energy: -107.001 where: short stacking energy: -85.720 Base-Backbone interact. energy: 1.750 local terms energy: -172.761951 where: bonds (distance) C4'-P energy: -43.368 bonds (distance) P-C4' energy: -58.515 flat angles C4'-P-C4' energy: -46.583 flat angles P-C4'-P energy: -29.612 tors. eta vs tors. theta energy: 5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -276.902677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.902677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.902677 (E_RNA) where: Base-Base interactions energy: -125.581 where: short stacking energy: -81.462 Base-Backbone interact. energy: -4.326 local terms energy: -146.995613 where: bonds (distance) C4'-P energy: -28.264 bonds (distance) P-C4' energy: -50.619 flat angles C4'-P-C4' energy: -50.480 flat angles P-C4'-P energy: -25.763 tors. eta vs tors. theta energy: 8.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1038.288535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.288535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.288535 (E_RNA) where: Base-Base interactions energy: -695.417 where: short stacking energy: -313.648 Base-Backbone interact. energy: -0.675 local terms energy: -342.196704 where: bonds (distance) C4'-P energy: -59.075 bonds (distance) P-C4' energy: -66.586 flat angles C4'-P-C4' energy: -73.118 flat angles P-C4'-P energy: -52.560 tors. eta vs tors. theta energy: -90.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -962.550493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.550493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.550493 (E_RNA) where: Base-Base interactions energy: -638.384 where: short stacking energy: -281.700 Base-Backbone interact. energy: -0.294 local terms energy: -323.873012 where: bonds (distance) C4'-P energy: -65.094 bonds (distance) P-C4' energy: -65.634 flat angles C4'-P-C4' energy: -66.972 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -75.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -925.925888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.925888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.925888 (E_RNA) where: Base-Base interactions energy: -601.291 where: short stacking energy: -287.310 Base-Backbone interact. energy: -0.431 local terms energy: -324.203604 where: bonds (distance) C4'-P energy: -57.576 bonds (distance) P-C4' energy: -63.708 flat angles C4'-P-C4' energy: -68.192 flat angles P-C4'-P energy: -44.493 tors. eta vs tors. theta energy: -90.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -843.942730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.942730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.942730 (E_RNA) where: Base-Base interactions energy: -525.258 where: short stacking energy: -271.440 Base-Backbone interact. energy: -0.863 local terms energy: -317.821034 where: bonds (distance) C4'-P energy: -62.532 bonds (distance) P-C4' energy: -61.477 flat angles C4'-P-C4' energy: -69.754 flat angles P-C4'-P energy: -47.196 tors. eta vs tors. theta energy: -76.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -746.442217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.442217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.442217 (E_RNA) where: Base-Base interactions energy: -464.119 where: short stacking energy: -211.361 Base-Backbone interact. energy: -0.964 local terms energy: -281.359557 where: bonds (distance) C4'-P energy: -53.072 bonds (distance) P-C4' energy: -57.104 flat angles C4'-P-C4' energy: -60.966 flat angles P-C4'-P energy: -48.494 tors. eta vs tors. theta energy: -61.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -713.471690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.471690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.471690 (E_RNA) where: Base-Base interactions energy: -451.554 where: short stacking energy: -196.206 Base-Backbone interact. energy: 2.015 local terms energy: -263.932564 where: bonds (distance) C4'-P energy: -57.464 bonds (distance) P-C4' energy: -57.392 flat angles C4'-P-C4' energy: -56.006 flat angles P-C4'-P energy: -39.186 tors. eta vs tors. theta energy: -53.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -533.555307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.555307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.555307 (E_RNA) where: Base-Base interactions energy: -304.924 where: short stacking energy: -159.723 Base-Backbone interact. energy: 0.566 local terms energy: -229.197535 where: bonds (distance) C4'-P energy: -55.097 bonds (distance) P-C4' energy: -48.476 flat angles C4'-P-C4' energy: -66.458 flat angles P-C4'-P energy: -27.992 tors. eta vs tors. theta energy: -31.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -473.307301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.307301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.307301 (E_RNA) where: Base-Base interactions energy: -253.458 where: short stacking energy: -147.317 Base-Backbone interact. energy: -0.525 local terms energy: -219.324218 where: bonds (distance) C4'-P energy: -40.352 bonds (distance) P-C4' energy: -67.132 flat angles C4'-P-C4' energy: -51.624 flat angles P-C4'-P energy: -34.658 tors. eta vs tors. theta energy: -25.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -377.788683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.788683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.788683 (E_RNA) where: Base-Base interactions energy: -175.014 where: short stacking energy: -111.271 Base-Backbone interact. energy: 2.759 local terms energy: -205.533180 where: bonds (distance) C4'-P energy: -54.334 bonds (distance) P-C4' energy: -67.394 flat angles C4'-P-C4' energy: -49.114 flat angles P-C4'-P energy: -30.471 tors. eta vs tors. theta energy: -4.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -258.625192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.625192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.625192 (E_RNA) where: Base-Base interactions energy: -90.564 where: short stacking energy: -82.409 Base-Backbone interact. energy: -0.529 local terms energy: -167.532328 where: bonds (distance) C4'-P energy: -43.455 bonds (distance) P-C4' energy: -49.047 flat angles C4'-P-C4' energy: -55.768 flat angles P-C4'-P energy: -32.690 tors. eta vs tors. theta energy: 13.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1027.310437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.310437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.310437 (E_RNA) where: Base-Base interactions energy: -677.051 where: short stacking energy: -303.209 Base-Backbone interact. energy: -0.860 local terms energy: -349.399276 where: bonds (distance) C4'-P energy: -66.657 bonds (distance) P-C4' energy: -70.162 flat angles C4'-P-C4' energy: -70.835 flat angles P-C4'-P energy: -54.234 tors. eta vs tors. theta energy: -87.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -967.439609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.439609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.439609 (E_RNA) where: Base-Base interactions energy: -639.221 where: short stacking energy: -269.677 Base-Backbone interact. energy: -1.196 local terms energy: -327.023449 where: bonds (distance) C4'-P energy: -58.419 bonds (distance) P-C4' energy: -63.852 flat angles C4'-P-C4' energy: -75.224 flat angles P-C4'-P energy: -53.787 tors. eta vs tors. theta energy: -75.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -917.713177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.713177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.713177 (E_RNA) where: Base-Base interactions energy: -612.444 where: short stacking energy: -271.839 Base-Backbone interact. energy: -2.371 local terms energy: -302.897483 where: bonds (distance) C4'-P energy: -55.476 bonds (distance) P-C4' energy: -60.825 flat angles C4'-P-C4' energy: -66.514 flat angles P-C4'-P energy: -36.686 tors. eta vs tors. theta energy: -83.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -846.008227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.008227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.008227 (E_RNA) where: Base-Base interactions energy: -544.374 where: short stacking energy: -259.470 Base-Backbone interact. energy: -1.578 local terms energy: -300.056091 where: bonds (distance) C4'-P energy: -58.151 bonds (distance) P-C4' energy: -64.538 flat angles C4'-P-C4' energy: -65.695 flat angles P-C4'-P energy: -39.719 tors. eta vs tors. theta energy: -71.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -758.973691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.973691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.973691 (E_RNA) where: Base-Base interactions energy: -482.309 where: short stacking energy: -231.814 Base-Backbone interact. energy: -0.458 local terms energy: -276.207456 where: bonds (distance) C4'-P energy: -50.857 bonds (distance) P-C4' energy: -55.412 flat angles C4'-P-C4' energy: -70.736 flat angles P-C4'-P energy: -39.717 tors. eta vs tors. theta energy: -59.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -747.124400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.124400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.124400 (E_RNA) where: Base-Base interactions energy: -482.383 where: short stacking energy: -211.193 Base-Backbone interact. energy: -0.801 local terms energy: -263.940053 where: bonds (distance) C4'-P energy: -56.644 bonds (distance) P-C4' energy: -58.943 flat angles C4'-P-C4' energy: -54.701 flat angles P-C4'-P energy: -33.104 tors. eta vs tors. theta energy: -60.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -569.824767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.824767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.824767 (E_RNA) where: Base-Base interactions energy: -337.636 where: short stacking energy: -166.757 Base-Backbone interact. energy: -0.835 local terms energy: -231.354010 where: bonds (distance) C4'-P energy: -55.288 bonds (distance) P-C4' energy: -50.817 flat angles C4'-P-C4' energy: -55.565 flat angles P-C4'-P energy: -42.425 tors. eta vs tors. theta energy: -27.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -387.397853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.397853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.397853 (E_RNA) where: Base-Base interactions energy: -195.526 where: short stacking energy: -88.589 Base-Backbone interact. energy: -1.801 local terms energy: -190.070875 where: bonds (distance) C4'-P energy: -53.825 bonds (distance) P-C4' energy: -55.863 flat angles C4'-P-C4' energy: -48.447 flat angles P-C4'-P energy: -38.176 tors. eta vs tors. theta energy: 6.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -354.290688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.290688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.290688 (E_RNA) where: Base-Base interactions energy: -175.458 where: short stacking energy: -104.984 Base-Backbone interact. energy: -0.282 local terms energy: -178.550485 where: bonds (distance) C4'-P energy: -48.680 bonds (distance) P-C4' energy: -50.829 flat angles C4'-P-C4' energy: -35.784 flat angles P-C4'-P energy: -35.200 tors. eta vs tors. theta energy: -8.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -259.478496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.478496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.478496 (E_RNA) where: Base-Base interactions energy: -89.780 where: short stacking energy: -88.789 Base-Backbone interact. energy: -0.853 local terms energy: -168.845551 where: bonds (distance) C4'-P energy: -39.655 bonds (distance) P-C4' energy: -62.057 flat angles C4'-P-C4' energy: -40.583 flat angles P-C4'-P energy: -23.739 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1020.484110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.484110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.484110 (E_RNA) where: Base-Base interactions energy: -695.624 where: short stacking energy: -310.830 Base-Backbone interact. energy: -0.417 local terms energy: -324.443368 where: bonds (distance) C4'-P energy: -56.343 bonds (distance) P-C4' energy: -68.007 flat angles C4'-P-C4' energy: -72.254 flat angles P-C4'-P energy: -39.873 tors. eta vs tors. theta energy: -87.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -963.418932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.418932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.418932 (E_RNA) where: Base-Base interactions energy: -651.771 where: short stacking energy: -273.987 Base-Backbone interact. energy: -0.053 local terms energy: -311.594910 where: bonds (distance) C4'-P energy: -62.813 bonds (distance) P-C4' energy: -62.520 flat angles C4'-P-C4' energy: -72.798 flat angles P-C4'-P energy: -42.671 tors. eta vs tors. theta energy: -70.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -917.248246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.248246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.248246 (E_RNA) where: Base-Base interactions energy: -618.011 where: short stacking energy: -295.403 Base-Backbone interact. energy: -1.385 local terms energy: -297.851923 where: bonds (distance) C4'-P energy: -51.108 bonds (distance) P-C4' energy: -64.124 flat angles C4'-P-C4' energy: -56.903 flat angles P-C4'-P energy: -37.539 tors. eta vs tors. theta energy: -88.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -879.132936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.132936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.132936 (E_RNA) where: Base-Base interactions energy: -574.305 where: short stacking energy: -259.419 Base-Backbone interact. energy: -2.457 local terms energy: -302.370858 where: bonds (distance) C4'-P energy: -63.116 bonds (distance) P-C4' energy: -58.101 flat angles C4'-P-C4' energy: -66.825 flat angles P-C4'-P energy: -39.951 tors. eta vs tors. theta energy: -74.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -808.298361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.298361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.298361 (E_RNA) where: Base-Base interactions energy: -508.072 where: short stacking energy: -245.079 Base-Backbone interact. energy: 1.086 local terms energy: -301.312584 where: bonds (distance) C4'-P energy: -66.440 bonds (distance) P-C4' energy: -58.976 flat angles C4'-P-C4' energy: -70.116 flat angles P-C4'-P energy: -38.526 tors. eta vs tors. theta energy: -67.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -758.441784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.441784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.441784 (E_RNA) where: Base-Base interactions energy: -485.189 where: short stacking energy: -213.831 Base-Backbone interact. energy: 0.057 local terms energy: -273.309545 where: bonds (distance) C4'-P energy: -62.078 bonds (distance) P-C4' energy: -63.047 flat angles C4'-P-C4' energy: -59.025 flat angles P-C4'-P energy: -39.433 tors. eta vs tors. theta energy: -49.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -561.390291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.390291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.390291 (E_RNA) where: Base-Base interactions energy: -337.132 where: short stacking energy: -181.489 Base-Backbone interact. energy: -1.950 local terms energy: -222.308053 where: bonds (distance) C4'-P energy: -56.837 bonds (distance) P-C4' energy: -58.459 flat angles C4'-P-C4' energy: -48.066 flat angles P-C4'-P energy: -32.187 tors. eta vs tors. theta energy: -26.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -392.769739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.769739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.769739 (E_RNA) where: Base-Base interactions energy: -191.222 where: short stacking energy: -123.665 Base-Backbone interact. energy: -1.615 local terms energy: -199.932732 where: bonds (distance) C4'-P energy: -50.400 bonds (distance) P-C4' energy: -57.270 flat angles C4'-P-C4' energy: -59.285 flat angles P-C4'-P energy: -28.708 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -291.938928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.938928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.938928 (E_RNA) where: Base-Base interactions energy: -119.662 where: short stacking energy: -72.192 Base-Backbone interact. energy: -1.087 local terms energy: -171.190096 where: bonds (distance) C4'-P energy: -62.146 bonds (distance) P-C4' energy: -48.261 flat angles C4'-P-C4' energy: -52.884 flat angles P-C4'-P energy: -23.161 tors. eta vs tors. theta energy: 15.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -256.373665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.373665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.373665 (E_RNA) where: Base-Base interactions energy: -63.759 where: short stacking energy: -55.950 Base-Backbone interact. energy: 0.744 local terms energy: -193.358598 where: bonds (distance) C4'-P energy: -56.647 bonds (distance) P-C4' energy: -63.272 flat angles C4'-P-C4' energy: -55.856 flat angles P-C4'-P energy: -23.828 tors. eta vs tors. theta energy: 6.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1052.464332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.464332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.464332 (E_RNA) where: Base-Base interactions energy: -706.337 where: short stacking energy: -299.076 Base-Backbone interact. energy: 0.650 local terms energy: -346.778012 where: bonds (distance) C4'-P energy: -63.212 bonds (distance) P-C4' energy: -63.794 flat angles C4'-P-C4' energy: -74.426 flat angles P-C4'-P energy: -54.025 tors. eta vs tors. theta energy: -91.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -968.963306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.963306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.963306 (E_RNA) where: Base-Base interactions energy: -660.431 where: short stacking energy: -280.859 Base-Backbone interact. energy: 1.529 local terms energy: -310.061132 where: bonds (distance) C4'-P energy: -52.295 bonds (distance) P-C4' energy: -66.696 flat angles C4'-P-C4' energy: -64.081 flat angles P-C4'-P energy: -60.072 tors. eta vs tors. theta energy: -66.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -952.591000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.591000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.591000 (E_RNA) where: Base-Base interactions energy: -638.443 where: short stacking energy: -263.470 Base-Backbone interact. energy: -2.798 local terms energy: -311.350472 where: bonds (distance) C4'-P energy: -53.580 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -70.481 flat angles P-C4'-P energy: -47.847 tors. eta vs tors. theta energy: -78.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -897.522910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.522910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.522910 (E_RNA) where: Base-Base interactions energy: -585.887 where: short stacking energy: -270.814 Base-Backbone interact. energy: -1.649 local terms energy: -309.986278 where: bonds (distance) C4'-P energy: -55.119 bonds (distance) P-C4' energy: -65.525 flat angles C4'-P-C4' energy: -76.443 flat angles P-C4'-P energy: -35.717 tors. eta vs tors. theta energy: -77.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -809.650967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.650967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.650967 (E_RNA) where: Base-Base interactions energy: -517.942 where: short stacking energy: -245.400 Base-Backbone interact. energy: -2.742 local terms energy: -288.967105 where: bonds (distance) C4'-P energy: -45.145 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -62.083 flat angles P-C4'-P energy: -48.167 tors. eta vs tors. theta energy: -71.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -764.719800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.719800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.719800 (E_RNA) where: Base-Base interactions energy: -488.398 where: short stacking energy: -233.503 Base-Backbone interact. energy: -1.668 local terms energy: -274.653915 where: bonds (distance) C4'-P energy: -58.529 bonds (distance) P-C4' energy: -59.239 flat angles C4'-P-C4' energy: -57.422 flat angles P-C4'-P energy: -28.334 tors. eta vs tors. theta energy: -71.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -590.964628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.964628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.964628 (E_RNA) where: Base-Base interactions energy: -345.563 where: short stacking energy: -177.543 Base-Backbone interact. energy: -1.121 local terms energy: -244.280580 where: bonds (distance) C4'-P energy: -54.334 bonds (distance) P-C4' energy: -58.185 flat angles C4'-P-C4' energy: -56.455 flat angles P-C4'-P energy: -36.445 tors. eta vs tors. theta energy: -38.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -409.836074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.836074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.836074 (E_RNA) where: Base-Base interactions energy: -210.515 where: short stacking energy: -117.095 Base-Backbone interact. energy: 0.565 local terms energy: -199.886161 where: bonds (distance) C4'-P energy: -38.807 bonds (distance) P-C4' energy: -45.602 flat angles C4'-P-C4' energy: -57.409 flat angles P-C4'-P energy: -36.869 tors. eta vs tors. theta energy: -21.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -284.126657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.126657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.126657 (E_RNA) where: Base-Base interactions energy: -100.910 where: short stacking energy: -75.808 Base-Backbone interact. energy: 5.104 local terms energy: -188.320616 where: bonds (distance) C4'-P energy: -44.229 bonds (distance) P-C4' energy: -68.934 flat angles C4'-P-C4' energy: -59.355 flat angles P-C4'-P energy: -21.995 tors. eta vs tors. theta energy: 6.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -302.872916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.872916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.872916 (E_RNA) where: Base-Base interactions energy: -130.703 where: short stacking energy: -91.705 Base-Backbone interact. energy: 3.793 local terms energy: -175.962915 where: bonds (distance) C4'-P energy: -48.632 bonds (distance) P-C4' energy: -60.154 flat angles C4'-P-C4' energy: -45.850 flat angles P-C4'-P energy: -26.791 tors. eta vs tors. theta energy: 5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1070.848549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.848549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.848549 (E_RNA) where: Base-Base interactions energy: -710.238 where: short stacking energy: -324.938 Base-Backbone interact. energy: -0.229 local terms energy: -360.381615 where: bonds (distance) C4'-P energy: -71.663 bonds (distance) P-C4' energy: -63.328 flat angles C4'-P-C4' energy: -79.583 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: -94.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -981.141632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.141632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.141632 (E_RNA) where: Base-Base interactions energy: -665.307 where: short stacking energy: -283.155 Base-Backbone interact. energy: -1.330 local terms energy: -314.504307 where: bonds (distance) C4'-P energy: -51.381 bonds (distance) P-C4' energy: -60.423 flat angles C4'-P-C4' energy: -70.861 flat angles P-C4'-P energy: -54.440 tors. eta vs tors. theta energy: -77.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -924.716685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.716685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.716685 (E_RNA) where: Base-Base interactions energy: -622.589 where: short stacking energy: -269.492 Base-Backbone interact. energy: -0.308 local terms energy: -301.819687 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -58.193 flat angles C4'-P-C4' energy: -65.454 flat angles P-C4'-P energy: -41.053 tors. eta vs tors. theta energy: -76.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -872.859758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.859758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.859758 (E_RNA) where: Base-Base interactions energy: -563.338 where: short stacking energy: -264.439 Base-Backbone interact. energy: -3.412 local terms energy: -306.109667 where: bonds (distance) C4'-P energy: -46.553 bonds (distance) P-C4' energy: -64.561 flat angles C4'-P-C4' energy: -66.072 flat angles P-C4'-P energy: -54.144 tors. eta vs tors. theta energy: -74.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -773.806830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.806830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.806830 (E_RNA) where: Base-Base interactions energy: -489.933 where: short stacking energy: -234.854 Base-Backbone interact. energy: -0.577 local terms energy: -283.296338 where: bonds (distance) C4'-P energy: -60.309 bonds (distance) P-C4' energy: -69.718 flat angles C4'-P-C4' energy: -56.349 flat angles P-C4'-P energy: -33.683 tors. eta vs tors. theta energy: -63.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -770.502721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.502721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.502721 (E_RNA) where: Base-Base interactions energy: -523.789 where: short stacking energy: -222.442 Base-Backbone interact. energy: -2.199 local terms energy: -244.513976 where: bonds (distance) C4'-P energy: -43.318 bonds (distance) P-C4' energy: -51.608 flat angles C4'-P-C4' energy: -56.904 flat angles P-C4'-P energy: -34.773 tors. eta vs tors. theta energy: -57.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -532.949361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.949361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.949361 (E_RNA) where: Base-Base interactions energy: -310.317 where: short stacking energy: -146.599 Base-Backbone interact. energy: -0.895 local terms energy: -221.737447 where: bonds (distance) C4'-P energy: -51.430 bonds (distance) P-C4' energy: -57.720 flat angles C4'-P-C4' energy: -55.963 flat angles P-C4'-P energy: -26.598 tors. eta vs tors. theta energy: -30.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -405.137251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.137251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.137251 (E_RNA) where: Base-Base interactions energy: -183.531 where: short stacking energy: -121.320 Base-Backbone interact. energy: 2.307 local terms energy: -223.912971 where: bonds (distance) C4'-P energy: -45.423 bonds (distance) P-C4' energy: -63.329 flat angles C4'-P-C4' energy: -58.830 flat angles P-C4'-P energy: -39.304 tors. eta vs tors. theta energy: -17.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -290.095691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.095691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.095691 (E_RNA) where: Base-Base interactions energy: -110.459 where: short stacking energy: -81.941 Base-Backbone interact. energy: 0.382 local terms energy: -180.018464 where: bonds (distance) C4'-P energy: -46.817 bonds (distance) P-C4' energy: -52.271 flat angles C4'-P-C4' energy: -48.884 flat angles P-C4'-P energy: -37.975 tors. eta vs tors. theta energy: 5.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -271.997853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.997853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.997853 (E_RNA) where: Base-Base interactions energy: -105.627 where: short stacking energy: -91.355 Base-Backbone interact. energy: 1.765 local terms energy: -168.135435 where: bonds (distance) C4'-P energy: -44.138 bonds (distance) P-C4' energy: -50.006 flat angles C4'-P-C4' energy: -47.651 flat angles P-C4'-P energy: -29.598 tors. eta vs tors. theta energy: 3.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1064.775948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.775948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.775948 (E_RNA) where: Base-Base interactions energy: -721.763 where: short stacking energy: -320.301 Base-Backbone interact. energy: -3.091 local terms energy: -339.921723 where: bonds (distance) C4'-P energy: -65.769 bonds (distance) P-C4' energy: -67.432 flat angles C4'-P-C4' energy: -62.993 flat angles P-C4'-P energy: -44.941 tors. eta vs tors. theta energy: -98.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1003.514548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.514548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.514548 (E_RNA) where: Base-Base interactions energy: -677.398 where: short stacking energy: -296.199 Base-Backbone interact. energy: -1.216 local terms energy: -324.901461 where: bonds (distance) C4'-P energy: -58.969 bonds (distance) P-C4' energy: -65.210 flat angles C4'-P-C4' energy: -73.320 flat angles P-C4'-P energy: -47.562 tors. eta vs tors. theta energy: -79.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -921.050539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.050539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.050539 (E_RNA) where: Base-Base interactions energy: -608.979 where: short stacking energy: -282.944 Base-Backbone interact. energy: -1.403 local terms energy: -310.668294 where: bonds (distance) C4'-P energy: -54.828 bonds (distance) P-C4' energy: -65.574 flat angles C4'-P-C4' energy: -70.657 flat angles P-C4'-P energy: -45.092 tors. eta vs tors. theta energy: -74.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -895.672756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.672756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.672756 (E_RNA) where: Base-Base interactions energy: -594.464 where: short stacking energy: -253.371 Base-Backbone interact. energy: -2.305 local terms energy: -298.903927 where: bonds (distance) C4'-P energy: -57.699 bonds (distance) P-C4' energy: -66.490 flat angles C4'-P-C4' energy: -65.207 flat angles P-C4'-P energy: -36.774 tors. eta vs tors. theta energy: -72.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -776.762996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.762996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.762996 (E_RNA) where: Base-Base interactions energy: -508.565 where: short stacking energy: -239.375 Base-Backbone interact. energy: -0.599 local terms energy: -267.599289 where: bonds (distance) C4'-P energy: -63.513 bonds (distance) P-C4' energy: -51.421 flat angles C4'-P-C4' energy: -54.893 flat angles P-C4'-P energy: -38.867 tors. eta vs tors. theta energy: -58.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -789.902716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.902716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.902716 (E_RNA) where: Base-Base interactions energy: -504.898 where: short stacking energy: -244.014 Base-Backbone interact. energy: -1.133 local terms energy: -283.872259 where: bonds (distance) C4'-P energy: -63.032 bonds (distance) P-C4' energy: -54.885 flat angles C4'-P-C4' energy: -62.057 flat angles P-C4'-P energy: -41.252 tors. eta vs tors. theta energy: -62.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -562.514361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.514361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.514361 (E_RNA) where: Base-Base interactions energy: -346.334 where: short stacking energy: -186.100 Base-Backbone interact. energy: 0.743 local terms energy: -216.924151 where: bonds (distance) C4'-P energy: -43.093 bonds (distance) P-C4' energy: -55.867 flat angles C4'-P-C4' energy: -50.754 flat angles P-C4'-P energy: -25.418 tors. eta vs tors. theta energy: -41.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -418.045428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.045428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.045428 (E_RNA) where: Base-Base interactions energy: -208.106 where: short stacking energy: -146.726 Base-Backbone interact. energy: 2.973 local terms energy: -212.911928 where: bonds (distance) C4'-P energy: -45.202 bonds (distance) P-C4' energy: -64.158 flat angles C4'-P-C4' energy: -44.936 flat angles P-C4'-P energy: -29.668 tors. eta vs tors. theta energy: -28.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -356.256370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.256370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.256370 (E_RNA) where: Base-Base interactions energy: -169.666 where: short stacking energy: -117.199 Base-Backbone interact. energy: -1.451 local terms energy: -185.138827 where: bonds (distance) C4'-P energy: -45.793 bonds (distance) P-C4' energy: -52.576 flat angles C4'-P-C4' energy: -54.342 flat angles P-C4'-P energy: -22.822 tors. eta vs tors. theta energy: -9.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -290.246658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.246658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.246658 (E_RNA) where: Base-Base interactions energy: -118.861 where: short stacking energy: -75.171 Base-Backbone interact. energy: 1.648 local terms energy: -173.033287 where: bonds (distance) C4'-P energy: -42.232 bonds (distance) P-C4' energy: -53.325 flat angles C4'-P-C4' energy: -56.233 flat angles P-C4'-P energy: -27.761 tors. eta vs tors. theta energy: 6.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1046.331747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.331747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.331747 (E_RNA) where: Base-Base interactions energy: -713.121 where: short stacking energy: -318.395 Base-Backbone interact. energy: -2.519 local terms energy: -330.691382 where: bonds (distance) C4'-P energy: -59.725 bonds (distance) P-C4' energy: -65.169 flat angles C4'-P-C4' energy: -71.091 flat angles P-C4'-P energy: -51.078 tors. eta vs tors. theta energy: -83.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -994.002575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.002575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.002575 (E_RNA) where: Base-Base interactions energy: -673.407 where: short stacking energy: -304.808 Base-Backbone interact. energy: -1.171 local terms energy: -319.424633 where: bonds (distance) C4'-P energy: -56.819 bonds (distance) P-C4' energy: -66.560 flat angles C4'-P-C4' energy: -71.994 flat angles P-C4'-P energy: -46.048 tors. eta vs tors. theta energy: -78.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -911.873359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.873359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.873359 (E_RNA) where: Base-Base interactions energy: -602.536 where: short stacking energy: -265.959 Base-Backbone interact. energy: -2.472 local terms energy: -306.865476 where: bonds (distance) C4'-P energy: -60.454 bonds (distance) P-C4' energy: -60.007 flat angles C4'-P-C4' energy: -70.039 flat angles P-C4'-P energy: -47.807 tors. eta vs tors. theta energy: -68.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -903.694480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.694480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.694480 (E_RNA) where: Base-Base interactions energy: -594.386 where: short stacking energy: -281.477 Base-Backbone interact. energy: -1.260 local terms energy: -308.049203 where: bonds (distance) C4'-P energy: -56.671 bonds (distance) P-C4' energy: -57.142 flat angles C4'-P-C4' energy: -67.221 flat angles P-C4'-P energy: -38.861 tors. eta vs tors. theta energy: -88.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -841.532491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.532491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.532491 (E_RNA) where: Base-Base interactions energy: -561.854 where: short stacking energy: -245.681 Base-Backbone interact. energy: -1.188 local terms energy: -278.489790 where: bonds (distance) C4'-P energy: -62.351 bonds (distance) P-C4' energy: -47.230 flat angles C4'-P-C4' energy: -67.973 flat angles P-C4'-P energy: -32.105 tors. eta vs tors. theta energy: -68.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -733.912624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.912624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.912624 (E_RNA) where: Base-Base interactions energy: -462.735 where: short stacking energy: -250.715 Base-Backbone interact. energy: 0.986 local terms energy: -272.163869 where: bonds (distance) C4'-P energy: -56.520 bonds (distance) P-C4' energy: -53.670 flat angles C4'-P-C4' energy: -53.548 flat angles P-C4'-P energy: -42.440 tors. eta vs tors. theta energy: -65.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -596.234052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.234052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.234052 (E_RNA) where: Base-Base interactions energy: -368.416 where: short stacking energy: -187.827 Base-Backbone interact. energy: -0.047 local terms energy: -227.771739 where: bonds (distance) C4'-P energy: -58.861 bonds (distance) P-C4' energy: -58.091 flat angles C4'-P-C4' energy: -44.073 flat angles P-C4'-P energy: -26.236 tors. eta vs tors. theta energy: -40.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -389.600987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.600987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.600987 (E_RNA) where: Base-Base interactions energy: -193.116 where: short stacking energy: -116.964 Base-Backbone interact. energy: -2.055 local terms energy: -194.429571 where: bonds (distance) C4'-P energy: -55.915 bonds (distance) P-C4' energy: -54.278 flat angles C4'-P-C4' energy: -48.183 flat angles P-C4'-P energy: -26.087 tors. eta vs tors. theta energy: -9.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -355.080610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.080610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.080610 (E_RNA) where: Base-Base interactions energy: -162.808 where: short stacking energy: -102.082 Base-Backbone interact. energy: 5.103 local terms energy: -197.375638 where: bonds (distance) C4'-P energy: -49.924 bonds (distance) P-C4' energy: -65.699 flat angles C4'-P-C4' energy: -43.488 flat angles P-C4'-P energy: -28.334 tors. eta vs tors. theta energy: -9.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -276.143594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.143594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.143594 (E_RNA) where: Base-Base interactions energy: -114.509 where: short stacking energy: -86.385 Base-Backbone interact. energy: -0.015 local terms energy: -161.619742 where: bonds (distance) C4'-P energy: -55.099 bonds (distance) P-C4' energy: -53.499 flat angles C4'-P-C4' energy: -34.202 flat angles P-C4'-P energy: -25.633 tors. eta vs tors. theta energy: 6.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1051.707590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.707590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.707590 (E_RNA) where: Base-Base interactions energy: -689.038 where: short stacking energy: -325.563 Base-Backbone interact. energy: -1.804 local terms energy: -360.866053 where: bonds (distance) C4'-P energy: -66.520 bonds (distance) P-C4' energy: -68.016 flat angles C4'-P-C4' energy: -75.579 flat angles P-C4'-P energy: -52.655 tors. eta vs tors. theta energy: -98.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -998.281042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.281042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.281042 (E_RNA) where: Base-Base interactions energy: -688.165 where: short stacking energy: -308.082 Base-Backbone interact. energy: 1.451 local terms energy: -311.566678 where: bonds (distance) C4'-P energy: -58.246 bonds (distance) P-C4' energy: -60.049 flat angles C4'-P-C4' energy: -70.550 flat angles P-C4'-P energy: -46.734 tors. eta vs tors. theta energy: -75.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -932.093179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.093179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.093179 (E_RNA) where: Base-Base interactions energy: -615.884 where: short stacking energy: -286.250 Base-Backbone interact. energy: -1.407 local terms energy: -314.802143 where: bonds (distance) C4'-P energy: -60.406 bonds (distance) P-C4' energy: -66.623 flat angles C4'-P-C4' energy: -64.424 flat angles P-C4'-P energy: -49.923 tors. eta vs tors. theta energy: -73.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -885.064835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.064835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.064835 (E_RNA) where: Base-Base interactions energy: -581.958 where: short stacking energy: -245.299 Base-Backbone interact. energy: -1.705 local terms energy: -301.402594 where: bonds (distance) C4'-P energy: -65.373 bonds (distance) P-C4' energy: -58.083 flat angles C4'-P-C4' energy: -68.071 flat angles P-C4'-P energy: -37.991 tors. eta vs tors. theta energy: -71.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -813.359237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.359237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.359237 (E_RNA) where: Base-Base interactions energy: -527.628 where: short stacking energy: -231.297 Base-Backbone interact. energy: 1.107 local terms energy: -286.838883 where: bonds (distance) C4'-P energy: -54.194 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -61.978 flat angles P-C4'-P energy: -44.942 tors. eta vs tors. theta energy: -62.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -733.455049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.455049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.455049 (E_RNA) where: Base-Base interactions energy: -463.819 where: short stacking energy: -239.439 Base-Backbone interact. energy: 0.609 local terms energy: -270.245570 where: bonds (distance) C4'-P energy: -50.386 bonds (distance) P-C4' energy: -57.660 flat angles C4'-P-C4' energy: -56.656 flat angles P-C4'-P energy: -45.675 tors. eta vs tors. theta energy: -59.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -590.884756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.884756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.884756 (E_RNA) where: Base-Base interactions energy: -361.452 where: short stacking energy: -172.886 Base-Backbone interact. energy: -4.194 local terms energy: -225.238672 where: bonds (distance) C4'-P energy: -59.020 bonds (distance) P-C4' energy: -52.414 flat angles C4'-P-C4' energy: -43.582 flat angles P-C4'-P energy: -40.426 tors. eta vs tors. theta energy: -29.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -395.930927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.930927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.930927 (E_RNA) where: Base-Base interactions energy: -193.801 where: short stacking energy: -128.443 Base-Backbone interact. energy: 1.659 local terms energy: -203.789523 where: bonds (distance) C4'-P energy: -63.019 bonds (distance) P-C4' energy: -58.065 flat angles C4'-P-C4' energy: -58.668 flat angles P-C4'-P energy: -27.703 tors. eta vs tors. theta energy: 3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -359.252191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.252191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.252191 (E_RNA) where: Base-Base interactions energy: -154.306 where: short stacking energy: -120.430 Base-Backbone interact. energy: -0.796 local terms energy: -204.149297 where: bonds (distance) C4'-P energy: -55.944 bonds (distance) P-C4' energy: -56.898 flat angles C4'-P-C4' energy: -52.756 flat angles P-C4'-P energy: -31.789 tors. eta vs tors. theta energy: -6.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -276.936794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.936794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.936794 (E_RNA) where: Base-Base interactions energy: -105.283 where: short stacking energy: -88.954 Base-Backbone interact. energy: -1.086 local terms energy: -170.568150 where: bonds (distance) C4'-P energy: -37.446 bonds (distance) P-C4' energy: -48.373 flat angles C4'-P-C4' energy: -48.127 flat angles P-C4'-P energy: -29.640 tors. eta vs tors. theta energy: -6.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1053.332058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.332058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.332058 (E_RNA) where: Base-Base interactions energy: -699.006 where: short stacking energy: -315.608 Base-Backbone interact. energy: -3.545 local terms energy: -350.781195 where: bonds (distance) C4'-P energy: -62.291 bonds (distance) P-C4' energy: -66.605 flat angles C4'-P-C4' energy: -72.577 flat angles P-C4'-P energy: -52.697 tors. eta vs tors. theta energy: -96.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -973.903903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.903903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.903903 (E_RNA) where: Base-Base interactions energy: -637.853 where: short stacking energy: -304.827 Base-Backbone interact. energy: -1.415 local terms energy: -334.635968 where: bonds (distance) C4'-P energy: -58.331 bonds (distance) P-C4' energy: -63.923 flat angles C4'-P-C4' energy: -74.653 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -93.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -957.478235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.478235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.478235 (E_RNA) where: Base-Base interactions energy: -653.436 where: short stacking energy: -287.533 Base-Backbone interact. energy: -2.472 local terms energy: -301.570154 where: bonds (distance) C4'-P energy: -62.550 bonds (distance) P-C4' energy: -65.610 flat angles C4'-P-C4' energy: -60.320 flat angles P-C4'-P energy: -36.889 tors. eta vs tors. theta energy: -76.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -935.965412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.965412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.965412 (E_RNA) where: Base-Base interactions energy: -657.270 where: short stacking energy: -286.544 Base-Backbone interact. energy: 1.665 local terms energy: -280.360710 where: bonds (distance) C4'-P energy: -51.896 bonds (distance) P-C4' energy: -58.179 flat angles C4'-P-C4' energy: -57.415 flat angles P-C4'-P energy: -38.044 tors. eta vs tors. theta energy: -74.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -783.173937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.173937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.173937 (E_RNA) where: Base-Base interactions energy: -518.186 where: short stacking energy: -234.005 Base-Backbone interact. energy: -1.543 local terms energy: -263.445506 where: bonds (distance) C4'-P energy: -58.452 bonds (distance) P-C4' energy: -55.367 flat angles C4'-P-C4' energy: -59.985 flat angles P-C4'-P energy: -30.760 tors. eta vs tors. theta energy: -58.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -714.734458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.734458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.734458 (E_RNA) where: Base-Base interactions energy: -453.661 where: short stacking energy: -224.259 Base-Backbone interact. energy: -0.526 local terms energy: -260.547555 where: bonds (distance) C4'-P energy: -53.957 bonds (distance) P-C4' energy: -59.083 flat angles C4'-P-C4' energy: -60.451 flat angles P-C4'-P energy: -30.922 tors. eta vs tors. theta energy: -56.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -603.942447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.942447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.942447 (E_RNA) where: Base-Base interactions energy: -369.303 where: short stacking energy: -186.179 Base-Backbone interact. energy: -1.470 local terms energy: -233.169820 where: bonds (distance) C4'-P energy: -53.286 bonds (distance) P-C4' energy: -56.352 flat angles C4'-P-C4' energy: -50.583 flat angles P-C4'-P energy: -33.503 tors. eta vs tors. theta energy: -39.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -413.852841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.852841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.852841 (E_RNA) where: Base-Base interactions energy: -190.367 where: short stacking energy: -123.536 Base-Backbone interact. energy: -1.797 local terms energy: -221.689299 where: bonds (distance) C4'-P energy: -66.978 bonds (distance) P-C4' energy: -64.246 flat angles C4'-P-C4' energy: -54.013 flat angles P-C4'-P energy: -28.343 tors. eta vs tors. theta energy: -8.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -300.005154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.005154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.005154 (E_RNA) where: Base-Base interactions energy: -112.318 where: short stacking energy: -100.339 Base-Backbone interact. energy: -1.801 local terms energy: -185.886120 where: bonds (distance) C4'-P energy: -66.219 bonds (distance) P-C4' energy: -64.799 flat angles C4'-P-C4' energy: -40.631 flat angles P-C4'-P energy: -17.247 tors. eta vs tors. theta energy: 3.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -265.115166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.115166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.115166 (E_RNA) where: Base-Base interactions energy: -101.908 where: short stacking energy: -63.603 Base-Backbone interact. energy: 1.706 local terms energy: -164.912840 where: bonds (distance) C4'-P energy: -46.257 bonds (distance) P-C4' energy: -52.942 flat angles C4'-P-C4' energy: -53.107 flat angles P-C4'-P energy: -22.756 tors. eta vs tors. theta energy: 10.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1056.685242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.685242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.685242 (E_RNA) where: Base-Base interactions energy: -706.648 where: short stacking energy: -311.113 Base-Backbone interact. energy: -3.649 local terms energy: -346.388236 where: bonds (distance) C4'-P energy: -65.564 bonds (distance) P-C4' energy: -63.759 flat angles C4'-P-C4' energy: -70.907 flat angles P-C4'-P energy: -50.632 tors. eta vs tors. theta energy: -95.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -969.457311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.457311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.457311 (E_RNA) where: Base-Base interactions energy: -638.130 where: short stacking energy: -314.559 Base-Backbone interact. energy: 0.029 local terms energy: -331.356176 where: bonds (distance) C4'-P energy: -60.854 bonds (distance) P-C4' energy: -61.192 flat angles C4'-P-C4' energy: -71.129 flat angles P-C4'-P energy: -45.095 tors. eta vs tors. theta energy: -93.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -963.930566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.930566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.930566 (E_RNA) where: Base-Base interactions energy: -656.516 where: short stacking energy: -279.861 Base-Backbone interact. energy: -0.499 local terms energy: -306.916265 where: bonds (distance) C4'-P energy: -54.947 bonds (distance) P-C4' energy: -52.695 flat angles C4'-P-C4' energy: -64.009 flat angles P-C4'-P energy: -47.788 tors. eta vs tors. theta energy: -87.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -926.301931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.301931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.301931 (E_RNA) where: Base-Base interactions energy: -624.318 where: short stacking energy: -269.847 Base-Backbone interact. energy: -0.216 local terms energy: -301.768074 where: bonds (distance) C4'-P energy: -60.197 bonds (distance) P-C4' energy: -66.925 flat angles C4'-P-C4' energy: -69.817 flat angles P-C4'-P energy: -35.848 tors. eta vs tors. theta energy: -68.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -794.489451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.489451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.489451 (E_RNA) where: Base-Base interactions energy: -510.092 where: short stacking energy: -232.646 Base-Backbone interact. energy: -0.067 local terms energy: -284.330569 where: bonds (distance) C4'-P energy: -51.863 bonds (distance) P-C4' energy: -63.165 flat angles C4'-P-C4' energy: -61.708 flat angles P-C4'-P energy: -42.418 tors. eta vs tors. theta energy: -65.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -747.242650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.242650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.242650 (E_RNA) where: Base-Base interactions energy: -458.309 where: short stacking energy: -232.416 Base-Backbone interact. energy: 0.305 local terms energy: -289.239016 where: bonds (distance) C4'-P energy: -62.572 bonds (distance) P-C4' energy: -44.952 flat angles C4'-P-C4' energy: -66.100 flat angles P-C4'-P energy: -37.012 tors. eta vs tors. theta energy: -78.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -597.389887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.389887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.389887 (E_RNA) where: Base-Base interactions energy: -370.579 where: short stacking energy: -178.262 Base-Backbone interact. energy: -1.791 local terms energy: -225.020341 where: bonds (distance) C4'-P energy: -45.614 bonds (distance) P-C4' energy: -52.584 flat angles C4'-P-C4' energy: -41.798 flat angles P-C4'-P energy: -43.423 tors. eta vs tors. theta energy: -41.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -420.837084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.837084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.837084 (E_RNA) where: Base-Base interactions energy: -220.788 where: short stacking energy: -131.586 Base-Backbone interact. energy: 0.044 local terms energy: -200.093775 where: bonds (distance) C4'-P energy: -50.378 bonds (distance) P-C4' energy: -63.663 flat angles C4'-P-C4' energy: -52.615 flat angles P-C4'-P energy: -25.386 tors. eta vs tors. theta energy: -8.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -284.273646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.273646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.273646 (E_RNA) where: Base-Base interactions energy: -91.170 where: short stacking energy: -81.147 Base-Backbone interact. energy: -1.395 local terms energy: -191.708789 where: bonds (distance) C4'-P energy: -55.847 bonds (distance) P-C4' energy: -47.754 flat angles C4'-P-C4' energy: -53.214 flat angles P-C4'-P energy: -31.521 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -271.758653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.758653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.758653 (E_RNA) where: Base-Base interactions energy: -92.163 where: short stacking energy: -84.493 Base-Backbone interact. energy: -0.608 local terms energy: -178.987051 where: bonds (distance) C4'-P energy: -51.306 bonds (distance) P-C4' energy: -59.793 flat angles C4'-P-C4' energy: -51.849 flat angles P-C4'-P energy: -30.186 tors. eta vs tors. theta energy: 14.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1054.031284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.031284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.031284 (E_RNA) where: Base-Base interactions energy: -723.779 where: short stacking energy: -336.099 Base-Backbone interact. energy: 0.677 local terms energy: -330.929705 where: bonds (distance) C4'-P energy: -58.022 bonds (distance) P-C4' energy: -64.473 flat angles C4'-P-C4' energy: -69.437 flat angles P-C4'-P energy: -45.729 tors. eta vs tors. theta energy: -93.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -968.120862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.120862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.120862 (E_RNA) where: Base-Base interactions energy: -644.875 where: short stacking energy: -310.728 Base-Backbone interact. energy: -0.978 local terms energy: -322.267987 where: bonds (distance) C4'-P energy: -66.013 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -69.142 flat angles P-C4'-P energy: -40.360 tors. eta vs tors. theta energy: -88.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -947.528630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.528630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.528630 (E_RNA) where: Base-Base interactions energy: -627.755 where: short stacking energy: -260.226 Base-Backbone interact. energy: -2.001 local terms energy: -317.772796 where: bonds (distance) C4'-P energy: -60.550 bonds (distance) P-C4' energy: -66.788 flat angles C4'-P-C4' energy: -69.195 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: -77.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -930.358899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.358899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.358899 (E_RNA) where: Base-Base interactions energy: -634.655 where: short stacking energy: -269.474 Base-Backbone interact. energy: -1.179 local terms energy: -294.524325 where: bonds (distance) C4'-P energy: -58.040 bonds (distance) P-C4' energy: -48.503 flat angles C4'-P-C4' energy: -72.787 flat angles P-C4'-P energy: -40.186 tors. eta vs tors. theta energy: -75.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -798.661801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.661801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.661801 (E_RNA) where: Base-Base interactions energy: -538.204 where: short stacking energy: -233.064 Base-Backbone interact. energy: -1.423 local terms energy: -259.035214 where: bonds (distance) C4'-P energy: -46.011 bonds (distance) P-C4' energy: -57.763 flat angles C4'-P-C4' energy: -64.144 flat angles P-C4'-P energy: -34.480 tors. eta vs tors. theta energy: -56.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -750.878648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.878648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.878648 (E_RNA) where: Base-Base interactions energy: -480.947 where: short stacking energy: -213.908 Base-Backbone interact. energy: -0.009 local terms energy: -269.922599 where: bonds (distance) C4'-P energy: -53.165 bonds (distance) P-C4' energy: -61.438 flat angles C4'-P-C4' energy: -52.688 flat angles P-C4'-P energy: -43.041 tors. eta vs tors. theta energy: -59.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -593.778496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.778496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.778496 (E_RNA) where: Base-Base interactions energy: -333.591 where: short stacking energy: -178.481 Base-Backbone interact. energy: -1.041 local terms energy: -259.146826 where: bonds (distance) C4'-P energy: -47.813 bonds (distance) P-C4' energy: -64.873 flat angles C4'-P-C4' energy: -52.757 flat angles P-C4'-P energy: -44.659 tors. eta vs tors. theta energy: -49.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -379.560802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.560802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.560802 (E_RNA) where: Base-Base interactions energy: -191.292 where: short stacking energy: -113.121 Base-Backbone interact. energy: 2.808 local terms energy: -191.077072 where: bonds (distance) C4'-P energy: -48.794 bonds (distance) P-C4' energy: -63.092 flat angles C4'-P-C4' energy: -52.454 flat angles P-C4'-P energy: -28.516 tors. eta vs tors. theta energy: 1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -298.029553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.029553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.029553 (E_RNA) where: Base-Base interactions energy: -125.545 where: short stacking energy: -92.176 Base-Backbone interact. energy: -0.762 local terms energy: -171.722588 where: bonds (distance) C4'-P energy: -44.415 bonds (distance) P-C4' energy: -70.249 flat angles C4'-P-C4' energy: -46.134 flat angles P-C4'-P energy: -14.660 tors. eta vs tors. theta energy: 3.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -269.597073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.597073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.597073 (E_RNA) where: Base-Base interactions energy: -111.538 where: short stacking energy: -75.940 Base-Backbone interact. energy: -1.919 local terms energy: -156.140696 where: bonds (distance) C4'-P energy: -45.201 bonds (distance) P-C4' energy: -56.287 flat angles C4'-P-C4' energy: -32.839 flat angles P-C4'-P energy: -35.705 tors. eta vs tors. theta energy: 13.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1075.335856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.335856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.335856 (E_RNA) where: Base-Base interactions energy: -709.297 where: short stacking energy: -311.467 Base-Backbone interact. energy: -3.284 local terms energy: -362.755654 where: bonds (distance) C4'-P energy: -65.473 bonds (distance) P-C4' energy: -70.285 flat angles C4'-P-C4' energy: -77.409 flat angles P-C4'-P energy: -55.122 tors. eta vs tors. theta energy: -94.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -980.510856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.510856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.510856 (E_RNA) where: Base-Base interactions energy: -655.904 where: short stacking energy: -297.691 Base-Backbone interact. energy: -1.209 local terms energy: -323.397381 where: bonds (distance) C4'-P energy: -54.000 bonds (distance) P-C4' energy: -71.503 flat angles C4'-P-C4' energy: -64.972 flat angles P-C4'-P energy: -49.545 tors. eta vs tors. theta energy: -83.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -968.656905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.656905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.656905 (E_RNA) where: Base-Base interactions energy: -663.772 where: short stacking energy: -284.628 Base-Backbone interact. energy: 0.027 local terms energy: -304.912427 where: bonds (distance) C4'-P energy: -56.720 bonds (distance) P-C4' energy: -62.548 flat angles C4'-P-C4' energy: -59.596 flat angles P-C4'-P energy: -37.403 tors. eta vs tors. theta energy: -88.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -929.787362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.787362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.787362 (E_RNA) where: Base-Base interactions energy: -616.883 where: short stacking energy: -263.902 Base-Backbone interact. energy: -1.345 local terms energy: -311.559206 where: bonds (distance) C4'-P energy: -58.902 bonds (distance) P-C4' energy: -59.905 flat angles C4'-P-C4' energy: -75.909 flat angles P-C4'-P energy: -45.441 tors. eta vs tors. theta energy: -71.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -884.413043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.413043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.413043 (E_RNA) where: Base-Base interactions energy: -571.102 where: short stacking energy: -269.310 Base-Backbone interact. energy: -1.715 local terms energy: -311.595837 where: bonds (distance) C4'-P energy: -56.312 bonds (distance) P-C4' energy: -67.186 flat angles C4'-P-C4' energy: -66.047 flat angles P-C4'-P energy: -40.560 tors. eta vs tors. theta energy: -81.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -707.942552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.942552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.942552 (E_RNA) where: Base-Base interactions energy: -467.542 where: short stacking energy: -212.725 Base-Backbone interact. energy: -1.465 local terms energy: -238.934840 where: bonds (distance) C4'-P energy: -65.335 bonds (distance) P-C4' energy: -40.492 flat angles C4'-P-C4' energy: -49.506 flat angles P-C4'-P energy: -33.940 tors. eta vs tors. theta energy: -49.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -627.573804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.573804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.573804 (E_RNA) where: Base-Base interactions energy: -373.022 where: short stacking energy: -191.174 Base-Backbone interact. energy: 1.631 local terms energy: -256.183297 where: bonds (distance) C4'-P energy: -53.760 bonds (distance) P-C4' energy: -62.203 flat angles C4'-P-C4' energy: -66.052 flat angles P-C4'-P energy: -34.246 tors. eta vs tors. theta energy: -39.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -437.279775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.279775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.279775 (E_RNA) where: Base-Base interactions energy: -237.755 where: short stacking energy: -129.433 Base-Backbone interact. energy: -2.160 local terms energy: -197.363924 where: bonds (distance) C4'-P energy: -49.143 bonds (distance) P-C4' energy: -71.606 flat angles C4'-P-C4' energy: -52.350 flat angles P-C4'-P energy: -16.964 tors. eta vs tors. theta energy: -7.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -276.850779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.850779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.850779 (E_RNA) where: Base-Base interactions energy: -111.587 where: short stacking energy: -75.917 Base-Backbone interact. energy: 0.250 local terms energy: -165.513948 where: bonds (distance) C4'-P energy: -62.587 bonds (distance) P-C4' energy: -58.994 flat angles C4'-P-C4' energy: -27.909 flat angles P-C4'-P energy: -22.433 tors. eta vs tors. theta energy: 6.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -258.313460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.313460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.313460 (E_RNA) where: Base-Base interactions energy: -84.055 where: short stacking energy: -70.348 Base-Backbone interact. energy: -0.878 local terms energy: -173.380309 where: bonds (distance) C4'-P energy: -57.830 bonds (distance) P-C4' energy: -60.383 flat angles C4'-P-C4' energy: -40.367 flat angles P-C4'-P energy: -25.012 tors. eta vs tors. theta energy: 10.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1052.217971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.217971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.217971 (E_RNA) where: Base-Base interactions energy: -713.353 where: short stacking energy: -339.006 Base-Backbone interact. energy: -1.351 local terms energy: -337.513040 where: bonds (distance) C4'-P energy: -64.589 bonds (distance) P-C4' energy: -55.328 flat angles C4'-P-C4' energy: -73.934 flat angles P-C4'-P energy: -49.958 tors. eta vs tors. theta energy: -93.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1003.434808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.434808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.434808 (E_RNA) where: Base-Base interactions energy: -675.335 where: short stacking energy: -298.602 Base-Backbone interact. energy: 0.326 local terms energy: -328.425306 where: bonds (distance) C4'-P energy: -61.035 bonds (distance) P-C4' energy: -58.722 flat angles C4'-P-C4' energy: -71.547 flat angles P-C4'-P energy: -45.502 tors. eta vs tors. theta energy: -91.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -954.438265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.438265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.438265 (E_RNA) where: Base-Base interactions energy: -646.907 where: short stacking energy: -281.115 Base-Backbone interact. energy: -1.345 local terms energy: -306.185992 where: bonds (distance) C4'-P energy: -56.989 bonds (distance) P-C4' energy: -52.246 flat angles C4'-P-C4' energy: -71.317 flat angles P-C4'-P energy: -49.278 tors. eta vs tors. theta energy: -76.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -936.434383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.434383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.434383 (E_RNA) where: Base-Base interactions energy: -644.202 where: short stacking energy: -291.823 Base-Backbone interact. energy: -1.528 local terms energy: -290.704616 where: bonds (distance) C4'-P energy: -47.268 bonds (distance) P-C4' energy: -61.159 flat angles C4'-P-C4' energy: -69.297 flat angles P-C4'-P energy: -36.729 tors. eta vs tors. theta energy: -76.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -838.155853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.155853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.155853 (E_RNA) where: Base-Base interactions energy: -544.837 where: short stacking energy: -238.525 Base-Backbone interact. energy: -0.222 local terms energy: -293.096695 where: bonds (distance) C4'-P energy: -59.978 bonds (distance) P-C4' energy: -62.773 flat angles C4'-P-C4' energy: -51.068 flat angles P-C4'-P energy: -42.368 tors. eta vs tors. theta energy: -76.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -679.423585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.423585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.423585 (E_RNA) where: Base-Base interactions energy: -445.176 where: short stacking energy: -210.983 Base-Backbone interact. energy: 0.626 local terms energy: -234.873696 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -51.326 flat angles C4'-P-C4' energy: -48.986 flat angles P-C4'-P energy: -30.226 tors. eta vs tors. theta energy: -47.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -614.873532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.873532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.873532 (E_RNA) where: Base-Base interactions energy: -392.851 where: short stacking energy: -194.631 Base-Backbone interact. energy: -1.466 local terms energy: -220.555932 where: bonds (distance) C4'-P energy: -55.333 bonds (distance) P-C4' energy: -39.833 flat angles C4'-P-C4' energy: -61.923 flat angles P-C4'-P energy: -14.409 tors. eta vs tors. theta energy: -49.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -393.984709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.984709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.984709 (E_RNA) where: Base-Base interactions energy: -198.713 where: short stacking energy: -127.048 Base-Backbone interact. energy: -0.606 local terms energy: -194.666141 where: bonds (distance) C4'-P energy: -52.488 bonds (distance) P-C4' energy: -66.785 flat angles C4'-P-C4' energy: -50.091 flat angles P-C4'-P energy: -24.380 tors. eta vs tors. theta energy: -0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -368.522344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.522344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.522344 (E_RNA) where: Base-Base interactions energy: -170.381 where: short stacking energy: -121.283 Base-Backbone interact. energy: -1.039 local terms energy: -197.101796 where: bonds (distance) C4'-P energy: -51.138 bonds (distance) P-C4' energy: -57.914 flat angles C4'-P-C4' energy: -46.282 flat angles P-C4'-P energy: -33.489 tors. eta vs tors. theta energy: -8.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -270.765697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.765697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.765697 (E_RNA) where: Base-Base interactions energy: -91.318 where: short stacking energy: -65.687 Base-Backbone interact. energy: -0.783 local terms energy: -178.664545 where: bonds (distance) C4'-P energy: -56.146 bonds (distance) P-C4' energy: -59.667 flat angles C4'-P-C4' energy: -50.111 flat angles P-C4'-P energy: -29.274 tors. eta vs tors. theta energy: 16.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1054.741928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.741928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.741928 (E_RNA) where: Base-Base interactions energy: -690.155 where: short stacking energy: -325.025 Base-Backbone interact. energy: -2.995 local terms energy: -361.591660 where: bonds (distance) C4'-P energy: -64.002 bonds (distance) P-C4' energy: -70.641 flat angles C4'-P-C4' energy: -79.630 flat angles P-C4'-P energy: -46.989 tors. eta vs tors. theta energy: -100.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1007.576601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.576601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.576601 (E_RNA) where: Base-Base interactions energy: -675.256 where: short stacking energy: -303.280 Base-Backbone interact. energy: -1.647 local terms energy: -330.673218 where: bonds (distance) C4'-P energy: -59.117 bonds (distance) P-C4' energy: -69.763 flat angles C4'-P-C4' energy: -65.403 flat angles P-C4'-P energy: -40.535 tors. eta vs tors. theta energy: -95.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -944.417143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.417143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.417143 (E_RNA) where: Base-Base interactions energy: -643.251 where: short stacking energy: -285.233 Base-Backbone interact. energy: -0.798 local terms energy: -300.367774 where: bonds (distance) C4'-P energy: -55.832 bonds (distance) P-C4' energy: -59.761 flat angles C4'-P-C4' energy: -66.480 flat angles P-C4'-P energy: -39.071 tors. eta vs tors. theta energy: -79.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -927.577577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.577577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.577577 (E_RNA) where: Base-Base interactions energy: -617.141 where: short stacking energy: -280.647 Base-Backbone interact. energy: 0.463 local terms energy: -310.899399 where: bonds (distance) C4'-P energy: -56.300 bonds (distance) P-C4' energy: -67.221 flat angles C4'-P-C4' energy: -67.902 flat angles P-C4'-P energy: -39.923 tors. eta vs tors. theta energy: -79.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -839.533730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.533730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.533730 (E_RNA) where: Base-Base interactions energy: -553.601 where: short stacking energy: -254.566 Base-Backbone interact. energy: 1.719 local terms energy: -287.651799 where: bonds (distance) C4'-P energy: -50.095 bonds (distance) P-C4' energy: -56.701 flat angles C4'-P-C4' energy: -67.564 flat angles P-C4'-P energy: -43.396 tors. eta vs tors. theta energy: -69.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -696.619001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.619001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.619001 (E_RNA) where: Base-Base interactions energy: -417.110 where: short stacking energy: -211.692 Base-Backbone interact. energy: -0.331 local terms energy: -279.177393 where: bonds (distance) C4'-P energy: -56.650 bonds (distance) P-C4' energy: -59.572 flat angles C4'-P-C4' energy: -67.283 flat angles P-C4'-P energy: -41.506 tors. eta vs tors. theta energy: -54.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -633.005145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.005145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.005145 (E_RNA) where: Base-Base interactions energy: -403.100 where: short stacking energy: -194.569 Base-Backbone interact. energy: -0.776 local terms energy: -229.129269 where: bonds (distance) C4'-P energy: -47.232 bonds (distance) P-C4' energy: -56.969 flat angles C4'-P-C4' energy: -61.367 flat angles P-C4'-P energy: -22.556 tors. eta vs tors. theta energy: -41.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -403.189113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.189113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.189113 (E_RNA) where: Base-Base interactions energy: -190.767 where: short stacking energy: -127.440 Base-Backbone interact. energy: -0.943 local terms energy: -211.479092 where: bonds (distance) C4'-P energy: -53.137 bonds (distance) P-C4' energy: -59.822 flat angles C4'-P-C4' energy: -52.378 flat angles P-C4'-P energy: -35.242 tors. eta vs tors. theta energy: -10.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -350.573644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.573644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.573644 (E_RNA) where: Base-Base interactions energy: -167.412 where: short stacking energy: -112.401 Base-Backbone interact. energy: -0.060 local terms energy: -183.101025 where: bonds (distance) C4'-P energy: -52.942 bonds (distance) P-C4' energy: -49.181 flat angles C4'-P-C4' energy: -49.610 flat angles P-C4'-P energy: -29.656 tors. eta vs tors. theta energy: -1.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -284.844621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.844621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.844621 (E_RNA) where: Base-Base interactions energy: -129.147 where: short stacking energy: -90.854 Base-Backbone interact. energy: -2.556 local terms energy: -153.141712 where: bonds (distance) C4'-P energy: -57.151 bonds (distance) P-C4' energy: -48.105 flat angles C4'-P-C4' energy: -46.455 flat angles P-C4'-P energy: -17.354 tors. eta vs tors. theta energy: 15.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1043.368516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.368516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.368516 (E_RNA) where: Base-Base interactions energy: -703.553 where: short stacking energy: -335.793 Base-Backbone interact. energy: 1.086 local terms energy: -340.901011 where: bonds (distance) C4'-P energy: -60.551 bonds (distance) P-C4' energy: -66.266 flat angles C4'-P-C4' energy: -72.753 flat angles P-C4'-P energy: -50.267 tors. eta vs tors. theta energy: -91.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1023.161578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.161578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.161578 (E_RNA) where: Base-Base interactions energy: -679.731 where: short stacking energy: -306.458 Base-Backbone interact. energy: -1.807 local terms energy: -341.623740 where: bonds (distance) C4'-P energy: -67.396 bonds (distance) P-C4' energy: -65.888 flat angles C4'-P-C4' energy: -65.082 flat angles P-C4'-P energy: -49.459 tors. eta vs tors. theta energy: -93.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -954.328000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.328000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.328000 (E_RNA) where: Base-Base interactions energy: -664.019 where: short stacking energy: -278.051 Base-Backbone interact. energy: -0.140 local terms energy: -290.169015 where: bonds (distance) C4'-P energy: -60.287 bonds (distance) P-C4' energy: -52.650 flat angles C4'-P-C4' energy: -66.014 flat angles P-C4'-P energy: -43.943 tors. eta vs tors. theta energy: -67.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -899.098710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.098710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.098710 (E_RNA) where: Base-Base interactions energy: -586.502 where: short stacking energy: -260.828 Base-Backbone interact. energy: -1.622 local terms energy: -310.974835 where: bonds (distance) C4'-P energy: -58.412 bonds (distance) P-C4' energy: -57.857 flat angles C4'-P-C4' energy: -63.037 flat angles P-C4'-P energy: -47.766 tors. eta vs tors. theta energy: -83.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -825.533924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.533924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.533924 (E_RNA) where: Base-Base interactions energy: -539.572 where: short stacking energy: -224.050 Base-Backbone interact. energy: -0.587 local terms energy: -285.374683 where: bonds (distance) C4'-P energy: -46.970 bonds (distance) P-C4' energy: -63.088 flat angles C4'-P-C4' energy: -71.488 flat angles P-C4'-P energy: -44.515 tors. eta vs tors. theta energy: -59.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -718.292081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.292081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.292081 (E_RNA) where: Base-Base interactions energy: -447.950 where: short stacking energy: -204.502 Base-Backbone interact. energy: -0.599 local terms energy: -269.742741 where: bonds (distance) C4'-P energy: -59.794 bonds (distance) P-C4' energy: -62.588 flat angles C4'-P-C4' energy: -65.592 flat angles P-C4'-P energy: -32.570 tors. eta vs tors. theta energy: -49.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -605.244214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.244214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.244214 (E_RNA) where: Base-Base interactions energy: -357.424 where: short stacking energy: -172.496 Base-Backbone interact. energy: -0.797 local terms energy: -247.023894 where: bonds (distance) C4'-P energy: -59.526 bonds (distance) P-C4' energy: -64.424 flat angles C4'-P-C4' energy: -50.535 flat angles P-C4'-P energy: -36.925 tors. eta vs tors. theta energy: -35.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -453.918301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.918301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.918301 (E_RNA) where: Base-Base interactions energy: -239.750 where: short stacking energy: -147.301 Base-Backbone interact. energy: -1.353 local terms energy: -212.815087 where: bonds (distance) C4'-P energy: -61.353 bonds (distance) P-C4' energy: -37.985 flat angles C4'-P-C4' energy: -51.252 flat angles P-C4'-P energy: -39.436 tors. eta vs tors. theta energy: -22.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -353.450348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.450348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.450348 (E_RNA) where: Base-Base interactions energy: -157.620 where: short stacking energy: -96.310 Base-Backbone interact. energy: -4.469 local terms energy: -191.361908 where: bonds (distance) C4'-P energy: -52.843 bonds (distance) P-C4' energy: -56.994 flat angles C4'-P-C4' energy: -43.605 flat angles P-C4'-P energy: -36.768 tors. eta vs tors. theta energy: -1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -271.614493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.614493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.614493 (E_RNA) where: Base-Base interactions energy: -82.365 where: short stacking energy: -68.815 Base-Backbone interact. energy: 0.178 local terms energy: -189.427317 where: bonds (distance) C4'-P energy: -63.981 bonds (distance) P-C4' energy: -62.429 flat angles C4'-P-C4' energy: -55.420 flat angles P-C4'-P energy: -26.732 tors. eta vs tors. theta energy: 19.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1032.732466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.732466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.732466 (E_RNA) where: Base-Base interactions energy: -707.667 where: short stacking energy: -293.614 Base-Backbone interact. energy: -1.631 local terms energy: -323.435111 where: bonds (distance) C4'-P energy: -63.420 bonds (distance) P-C4' energy: -62.227 flat angles C4'-P-C4' energy: -69.648 flat angles P-C4'-P energy: -41.716 tors. eta vs tors. theta energy: -86.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1014.705540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.705540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.705540 (E_RNA) where: Base-Base interactions energy: -680.091 where: short stacking energy: -314.557 Base-Backbone interact. energy: -0.716 local terms energy: -333.899293 where: bonds (distance) C4'-P energy: -53.259 bonds (distance) P-C4' energy: -64.294 flat angles C4'-P-C4' energy: -70.759 flat angles P-C4'-P energy: -51.756 tors. eta vs tors. theta energy: -93.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -935.180782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.180782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.180782 (E_RNA) where: Base-Base interactions energy: -621.962 where: short stacking energy: -287.890 Base-Backbone interact. energy: -1.336 local terms energy: -311.883282 where: bonds (distance) C4'-P energy: -55.099 bonds (distance) P-C4' energy: -67.381 flat angles C4'-P-C4' energy: -69.337 flat angles P-C4'-P energy: -41.977 tors. eta vs tors. theta energy: -78.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -894.327774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.327774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.327774 (E_RNA) where: Base-Base interactions energy: -601.823 where: short stacking energy: -259.954 Base-Backbone interact. energy: -1.942 local terms energy: -290.562780 where: bonds (distance) C4'-P energy: -54.524 bonds (distance) P-C4' energy: -63.950 flat angles C4'-P-C4' energy: -66.818 flat angles P-C4'-P energy: -35.365 tors. eta vs tors. theta energy: -69.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -782.843872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.843872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.843872 (E_RNA) where: Base-Base interactions energy: -495.835 where: short stacking energy: -216.242 Base-Backbone interact. energy: 0.258 local terms energy: -287.267702 where: bonds (distance) C4'-P energy: -62.014 bonds (distance) P-C4' energy: -68.044 flat angles C4'-P-C4' energy: -67.221 flat angles P-C4'-P energy: -27.526 tors. eta vs tors. theta energy: -62.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -706.940952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.940952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.940952 (E_RNA) where: Base-Base interactions energy: -433.466 where: short stacking energy: -207.411 Base-Backbone interact. energy: -1.285 local terms energy: -272.189960 where: bonds (distance) C4'-P energy: -69.991 bonds (distance) P-C4' energy: -50.458 flat angles C4'-P-C4' energy: -66.297 flat angles P-C4'-P energy: -36.667 tors. eta vs tors. theta energy: -48.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -611.167790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.167790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.167790 (E_RNA) where: Base-Base interactions energy: -389.936 where: short stacking energy: -177.844 Base-Backbone interact. energy: 1.098 local terms energy: -222.328996 where: bonds (distance) C4'-P energy: -49.314 bonds (distance) P-C4' energy: -60.237 flat angles C4'-P-C4' energy: -46.816 flat angles P-C4'-P energy: -29.350 tors. eta vs tors. theta energy: -36.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -446.185190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.185190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.185190 (E_RNA) where: Base-Base interactions energy: -235.084 where: short stacking energy: -135.561 Base-Backbone interact. energy: -1.114 local terms energy: -209.987424 where: bonds (distance) C4'-P energy: -59.151 bonds (distance) P-C4' energy: -53.581 flat angles C4'-P-C4' energy: -50.532 flat angles P-C4'-P energy: -31.469 tors. eta vs tors. theta energy: -15.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -417.252910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.252910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.252910 (E_RNA) where: Base-Base interactions energy: -250.180 where: short stacking energy: -122.575 Base-Backbone interact. energy: -1.090 local terms energy: -165.982529 where: bonds (distance) C4'-P energy: -42.094 bonds (distance) P-C4' energy: -50.885 flat angles C4'-P-C4' energy: -47.315 flat angles P-C4'-P energy: -13.853 tors. eta vs tors. theta energy: -11.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -272.349006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.349006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.349006 (E_RNA) where: Base-Base interactions energy: -98.930 where: short stacking energy: -74.444 Base-Backbone interact. energy: 1.361 local terms energy: -174.779636 where: bonds (distance) C4'-P energy: -46.688 bonds (distance) P-C4' energy: -60.443 flat angles C4'-P-C4' energy: -45.588 flat angles P-C4'-P energy: -29.207 tors. eta vs tors. theta energy: 7.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1023.873398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.873398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.873398 (E_RNA) where: Base-Base interactions energy: -692.902 where: short stacking energy: -292.431 Base-Backbone interact. energy: -0.117 local terms energy: -330.854391 where: bonds (distance) C4'-P energy: -64.338 bonds (distance) P-C4' energy: -57.297 flat angles C4'-P-C4' energy: -75.671 flat angles P-C4'-P energy: -49.697 tors. eta vs tors. theta energy: -83.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1002.314492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.314492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.314492 (E_RNA) where: Base-Base interactions energy: -674.730 where: short stacking energy: -301.246 Base-Backbone interact. energy: -1.733 local terms energy: -325.851069 where: bonds (distance) C4'-P energy: -60.605 bonds (distance) P-C4' energy: -51.430 flat angles C4'-P-C4' energy: -73.819 flat angles P-C4'-P energy: -49.726 tors. eta vs tors. theta energy: -90.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -941.258748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.258748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.258748 (E_RNA) where: Base-Base interactions energy: -637.146 where: short stacking energy: -271.986 Base-Backbone interact. energy: -0.459 local terms energy: -303.653326 where: bonds (distance) C4'-P energy: -67.295 bonds (distance) P-C4' energy: -50.599 flat angles C4'-P-C4' energy: -69.503 flat angles P-C4'-P energy: -52.129 tors. eta vs tors. theta energy: -64.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -888.776544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.776544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.776544 (E_RNA) where: Base-Base interactions energy: -583.390 where: short stacking energy: -258.507 Base-Backbone interact. energy: -0.927 local terms energy: -304.459312 where: bonds (distance) C4'-P energy: -62.374 bonds (distance) P-C4' energy: -58.150 flat angles C4'-P-C4' energy: -60.141 flat angles P-C4'-P energy: -49.531 tors. eta vs tors. theta energy: -74.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -830.483871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.483871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.483871 (E_RNA) where: Base-Base interactions energy: -552.434 where: short stacking energy: -238.150 Base-Backbone interact. energy: -0.742 local terms energy: -277.308318 where: bonds (distance) C4'-P energy: -62.838 bonds (distance) P-C4' energy: -55.332 flat angles C4'-P-C4' energy: -62.222 flat angles P-C4'-P energy: -42.222 tors. eta vs tors. theta energy: -54.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -705.554517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.554517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.554517 (E_RNA) where: Base-Base interactions energy: -464.319 where: short stacking energy: -211.918 Base-Backbone interact. energy: -0.523 local terms energy: -240.713021 where: bonds (distance) C4'-P energy: -44.689 bonds (distance) P-C4' energy: -64.175 flat angles C4'-P-C4' energy: -54.022 flat angles P-C4'-P energy: -36.221 tors. eta vs tors. theta energy: -41.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -656.851995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.851995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.851995 (E_RNA) where: Base-Base interactions energy: -432.663 where: short stacking energy: -188.556 Base-Backbone interact. energy: -2.688 local terms energy: -221.501241 where: bonds (distance) C4'-P energy: -50.350 bonds (distance) P-C4' energy: -51.512 flat angles C4'-P-C4' energy: -60.833 flat angles P-C4'-P energy: -19.769 tors. eta vs tors. theta energy: -39.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -452.514294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.514294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.514294 (E_RNA) where: Base-Base interactions energy: -253.562 where: short stacking energy: -132.024 Base-Backbone interact. energy: -0.855 local terms energy: -198.097075 where: bonds (distance) C4'-P energy: -55.206 bonds (distance) P-C4' energy: -59.050 flat angles C4'-P-C4' energy: -41.397 flat angles P-C4'-P energy: -40.448 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -412.405920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.405920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.405920 (E_RNA) where: Base-Base interactions energy: -211.154 where: short stacking energy: -119.208 Base-Backbone interact. energy: 0.181 local terms energy: -201.432784 where: bonds (distance) C4'-P energy: -54.544 bonds (distance) P-C4' energy: -46.210 flat angles C4'-P-C4' energy: -56.432 flat angles P-C4'-P energy: -39.066 tors. eta vs tors. theta energy: -5.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -279.452519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.452519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.452519 (E_RNA) where: Base-Base interactions energy: -104.642 where: short stacking energy: -71.464 Base-Backbone interact. energy: 3.741 local terms energy: -178.552145 where: bonds (distance) C4'-P energy: -55.043 bonds (distance) P-C4' energy: -51.711 flat angles C4'-P-C4' energy: -50.220 flat angles P-C4'-P energy: -24.783 tors. eta vs tors. theta energy: 3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1028.193827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.193827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.193827 (E_RNA) where: Base-Base interactions energy: -676.786 where: short stacking energy: -292.992 Base-Backbone interact. energy: -2.664 local terms energy: -348.743802 where: bonds (distance) C4'-P energy: -64.048 bonds (distance) P-C4' energy: -68.118 flat angles C4'-P-C4' energy: -78.434 flat angles P-C4'-P energy: -50.218 tors. eta vs tors. theta energy: -87.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1012.066199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.066199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.066199 (E_RNA) where: Base-Base interactions energy: -687.899 where: short stacking energy: -295.862 Base-Backbone interact. energy: -1.417 local terms energy: -322.749372 where: bonds (distance) C4'-P energy: -58.547 bonds (distance) P-C4' energy: -62.446 flat angles C4'-P-C4' energy: -70.977 flat angles P-C4'-P energy: -43.709 tors. eta vs tors. theta energy: -87.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -963.595319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.595319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.595319 (E_RNA) where: Base-Base interactions energy: -642.885 where: short stacking energy: -268.592 Base-Backbone interact. energy: -1.370 local terms energy: -319.340310 where: bonds (distance) C4'-P energy: -65.357 bonds (distance) P-C4' energy: -63.287 flat angles C4'-P-C4' energy: -67.478 flat angles P-C4'-P energy: -45.757 tors. eta vs tors. theta energy: -77.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -900.061699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.061699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.061699 (E_RNA) where: Base-Base interactions energy: -579.903 where: short stacking energy: -248.413 Base-Backbone interact. energy: -1.439 local terms energy: -318.719632 where: bonds (distance) C4'-P energy: -65.573 bonds (distance) P-C4' energy: -69.782 flat angles C4'-P-C4' energy: -73.360 flat angles P-C4'-P energy: -35.170 tors. eta vs tors. theta energy: -74.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -799.001470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.001470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.001470 (E_RNA) where: Base-Base interactions energy: -518.161 where: short stacking energy: -231.848 Base-Backbone interact. energy: -2.631 local terms energy: -278.210078 where: bonds (distance) C4'-P energy: -54.023 bonds (distance) P-C4' energy: -58.302 flat angles C4'-P-C4' energy: -63.459 flat angles P-C4'-P energy: -42.295 tors. eta vs tors. theta energy: -60.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -702.013463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.013463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.013463 (E_RNA) where: Base-Base interactions energy: -442.537 where: short stacking energy: -215.340 Base-Backbone interact. energy: 1.632 local terms energy: -261.108412 where: bonds (distance) C4'-P energy: -57.841 bonds (distance) P-C4' energy: -49.160 flat angles C4'-P-C4' energy: -68.114 flat angles P-C4'-P energy: -33.941 tors. eta vs tors. theta energy: -52.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -712.818638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.818638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.818638 (E_RNA) where: Base-Base interactions energy: -456.178 where: short stacking energy: -183.403 Base-Backbone interact. energy: -1.071 local terms energy: -255.569831 where: bonds (distance) C4'-P energy: -31.627 bonds (distance) P-C4' energy: -56.674 flat angles C4'-P-C4' energy: -70.574 flat angles P-C4'-P energy: -47.341 tors. eta vs tors. theta energy: -49.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -447.843547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.843547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.843547 (E_RNA) where: Base-Base interactions energy: -236.105 where: short stacking energy: -123.952 Base-Backbone interact. energy: 1.383 local terms energy: -213.121376 where: bonds (distance) C4'-P energy: -59.162 bonds (distance) P-C4' energy: -57.968 flat angles C4'-P-C4' energy: -57.341 flat angles P-C4'-P energy: -27.530 tors. eta vs tors. theta energy: -11.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -386.925401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.925401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.925401 (E_RNA) where: Base-Base interactions energy: -172.621 where: short stacking energy: -111.888 Base-Backbone interact. energy: -2.941 local terms energy: -211.363563 where: bonds (distance) C4'-P energy: -58.046 bonds (distance) P-C4' energy: -67.367 flat angles C4'-P-C4' energy: -42.736 flat angles P-C4'-P energy: -29.799 tors. eta vs tors. theta energy: -13.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -256.008080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.008080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.008080 (E_RNA) where: Base-Base interactions energy: -76.424 where: short stacking energy: -74.012 Base-Backbone interact. energy: -2.408 local terms energy: -177.175319 where: bonds (distance) C4'-P energy: -50.966 bonds (distance) P-C4' energy: -58.988 flat angles C4'-P-C4' energy: -49.464 flat angles P-C4'-P energy: -26.480 tors. eta vs tors. theta energy: 8.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1005.239540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.239540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.239540 (E_RNA) where: Base-Base interactions energy: -676.899 where: short stacking energy: -304.958 Base-Backbone interact. energy: -1.035 local terms energy: -327.305457 where: bonds (distance) C4'-P energy: -65.427 bonds (distance) P-C4' energy: -61.662 flat angles C4'-P-C4' energy: -71.971 flat angles P-C4'-P energy: -48.260 tors. eta vs tors. theta energy: -79.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -991.983083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.983083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.983083 (E_RNA) where: Base-Base interactions energy: -670.352 where: short stacking energy: -275.789 Base-Backbone interact. energy: -0.521 local terms energy: -321.110250 where: bonds (distance) C4'-P energy: -60.294 bonds (distance) P-C4' energy: -67.333 flat angles C4'-P-C4' energy: -72.793 flat angles P-C4'-P energy: -49.751 tors. eta vs tors. theta energy: -70.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -972.360833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.360833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.360833 (E_RNA) where: Base-Base interactions energy: -653.394 where: short stacking energy: -276.104 Base-Backbone interact. energy: 0.722 local terms energy: -319.689737 where: bonds (distance) C4'-P energy: -62.934 bonds (distance) P-C4' energy: -71.479 flat angles C4'-P-C4' energy: -68.730 flat angles P-C4'-P energy: -39.757 tors. eta vs tors. theta energy: -76.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -960.147183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.147183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.147183 (E_RNA) where: Base-Base interactions energy: -648.180 where: short stacking energy: -269.506 Base-Backbone interact. energy: -2.751 local terms energy: -309.215522 where: bonds (distance) C4'-P energy: -63.302 bonds (distance) P-C4' energy: -61.723 flat angles C4'-P-C4' energy: -63.432 flat angles P-C4'-P energy: -43.127 tors. eta vs tors. theta energy: -77.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -804.949440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.949440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.949440 (E_RNA) where: Base-Base interactions energy: -533.704 where: short stacking energy: -245.987 Base-Backbone interact. energy: 0.140 local terms energy: -271.385804 where: bonds (distance) C4'-P energy: -58.242 bonds (distance) P-C4' energy: -63.773 flat angles C4'-P-C4' energy: -57.908 flat angles P-C4'-P energy: -31.456 tors. eta vs tors. theta energy: -60.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -746.873821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.873821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.873821 (E_RNA) where: Base-Base interactions energy: -483.571 where: short stacking energy: -224.966 Base-Backbone interact. energy: 5.917 local terms energy: -269.220167 where: bonds (distance) C4'-P energy: -63.796 bonds (distance) P-C4' energy: -53.908 flat angles C4'-P-C4' energy: -67.901 flat angles P-C4'-P energy: -35.228 tors. eta vs tors. theta energy: -48.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -653.160164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.160164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.160164 (E_RNA) where: Base-Base interactions energy: -397.901 where: short stacking energy: -192.969 Base-Backbone interact. energy: 0.110 local terms energy: -255.368968 where: bonds (distance) C4'-P energy: -60.447 bonds (distance) P-C4' energy: -61.204 flat angles C4'-P-C4' energy: -51.259 flat angles P-C4'-P energy: -45.530 tors. eta vs tors. theta energy: -36.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -424.884985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.884985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.884985 (E_RNA) where: Base-Base interactions energy: -224.853 where: short stacking energy: -137.736 Base-Backbone interact. energy: -2.082 local terms energy: -197.950513 where: bonds (distance) C4'-P energy: -46.888 bonds (distance) P-C4' energy: -54.956 flat angles C4'-P-C4' energy: -44.828 flat angles P-C4'-P energy: -32.121 tors. eta vs tors. theta energy: -19.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -377.643606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.643606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.643606 (E_RNA) where: Base-Base interactions energy: -181.270 where: short stacking energy: -106.340 Base-Backbone interact. energy: 0.281 local terms energy: -196.654562 where: bonds (distance) C4'-P energy: -36.481 bonds (distance) P-C4' energy: -53.515 flat angles C4'-P-C4' energy: -60.238 flat angles P-C4'-P energy: -36.524 tors. eta vs tors. theta energy: -9.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -295.199129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.199129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.199129 (E_RNA) where: Base-Base interactions energy: -122.739 where: short stacking energy: -99.288 Base-Backbone interact. energy: -0.476 local terms energy: -171.984078 where: bonds (distance) C4'-P energy: -47.490 bonds (distance) P-C4' energy: -56.621 flat angles C4'-P-C4' energy: -44.873 flat angles P-C4'-P energy: -21.363 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1037.198928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.198928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.198928 (E_RNA) where: Base-Base interactions energy: -698.770 where: short stacking energy: -302.467 Base-Backbone interact. energy: 0.091 local terms energy: -338.519825 where: bonds (distance) C4'-P energy: -65.820 bonds (distance) P-C4' energy: -70.342 flat angles C4'-P-C4' energy: -72.139 flat angles P-C4'-P energy: -47.139 tors. eta vs tors. theta energy: -83.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -991.058123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.058123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.058123 (E_RNA) where: Base-Base interactions energy: -666.518 where: short stacking energy: -305.236 Base-Backbone interact. energy: -3.428 local terms energy: -321.112753 where: bonds (distance) C4'-P energy: -54.017 bonds (distance) P-C4' energy: -67.995 flat angles C4'-P-C4' energy: -71.538 flat angles P-C4'-P energy: -39.364 tors. eta vs tors. theta energy: -88.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -958.759361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.759361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.759361 (E_RNA) where: Base-Base interactions energy: -644.872 where: short stacking energy: -296.137 Base-Backbone interact. energy: -1.463 local terms energy: -312.423727 where: bonds (distance) C4'-P energy: -62.629 bonds (distance) P-C4' energy: -53.567 flat angles C4'-P-C4' energy: -62.235 flat angles P-C4'-P energy: -52.796 tors. eta vs tors. theta energy: -81.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -916.843068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.843068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.843068 (E_RNA) where: Base-Base interactions energy: -630.821 where: short stacking energy: -260.122 Base-Backbone interact. energy: 3.091 local terms energy: -289.112273 where: bonds (distance) C4'-P energy: -59.928 bonds (distance) P-C4' energy: -52.983 flat angles C4'-P-C4' energy: -68.351 flat angles P-C4'-P energy: -35.003 tors. eta vs tors. theta energy: -72.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -807.775390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.775390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.775390 (E_RNA) where: Base-Base interactions energy: -508.310 where: short stacking energy: -252.763 Base-Backbone interact. energy: -1.695 local terms energy: -297.770742 where: bonds (distance) C4'-P energy: -59.971 bonds (distance) P-C4' energy: -55.032 flat angles C4'-P-C4' energy: -60.515 flat angles P-C4'-P energy: -47.322 tors. eta vs tors. theta energy: -74.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -782.905380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.905380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.905380 (E_RNA) where: Base-Base interactions energy: -503.632 where: short stacking energy: -209.260 Base-Backbone interact. energy: -2.843 local terms energy: -276.430967 where: bonds (distance) C4'-P energy: -59.277 bonds (distance) P-C4' energy: -55.767 flat angles C4'-P-C4' energy: -69.444 flat angles P-C4'-P energy: -42.756 tors. eta vs tors. theta energy: -49.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -632.600683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.600683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.600683 (E_RNA) where: Base-Base interactions energy: -398.751 where: short stacking energy: -188.490 Base-Backbone interact. energy: -0.330 local terms energy: -233.519406 where: bonds (distance) C4'-P energy: -50.538 bonds (distance) P-C4' energy: -60.756 flat angles C4'-P-C4' energy: -51.587 flat angles P-C4'-P energy: -39.352 tors. eta vs tors. theta energy: -31.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -407.523278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.523278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.523278 (E_RNA) where: Base-Base interactions energy: -196.348 where: short stacking energy: -117.197 Base-Backbone interact. energy: -0.836 local terms energy: -210.339522 where: bonds (distance) C4'-P energy: -45.445 bonds (distance) P-C4' energy: -54.553 flat angles C4'-P-C4' energy: -48.292 flat angles P-C4'-P energy: -43.394 tors. eta vs tors. theta energy: -18.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -406.158232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.158232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.158232 (E_RNA) where: Base-Base interactions energy: -204.532 where: short stacking energy: -111.002 Base-Backbone interact. energy: -2.223 local terms energy: -199.402839 where: bonds (distance) C4'-P energy: -58.335 bonds (distance) P-C4' energy: -59.317 flat angles C4'-P-C4' energy: -52.146 flat angles P-C4'-P energy: -17.956 tors. eta vs tors. theta energy: -11.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -305.600361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.600361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.600361 (E_RNA) where: Base-Base interactions energy: -127.704 where: short stacking energy: -93.634 Base-Backbone interact. energy: -1.096 local terms energy: -176.800684 where: bonds (distance) C4'-P energy: -57.629 bonds (distance) P-C4' energy: -53.361 flat angles C4'-P-C4' energy: -44.558 flat angles P-C4'-P energy: -20.514 tors. eta vs tors. theta energy: -0.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1007.851877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.851877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.851877 (E_RNA) where: Base-Base interactions energy: -678.682 where: short stacking energy: -297.311 Base-Backbone interact. energy: -0.022 local terms energy: -329.147534 where: bonds (distance) C4'-P energy: -64.685 bonds (distance) P-C4' energy: -64.144 flat angles C4'-P-C4' energy: -66.658 flat angles P-C4'-P energy: -49.227 tors. eta vs tors. theta energy: -84.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1009.646613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.646613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.646613 (E_RNA) where: Base-Base interactions energy: -684.845 where: short stacking energy: -308.338 Base-Backbone interact. energy: -2.205 local terms energy: -322.596616 where: bonds (distance) C4'-P energy: -67.882 bonds (distance) P-C4' energy: -69.842 flat angles C4'-P-C4' energy: -58.768 flat angles P-C4'-P energy: -37.100 tors. eta vs tors. theta energy: -89.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -940.774839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.774839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.774839 (E_RNA) where: Base-Base interactions energy: -621.422 where: short stacking energy: -289.105 Base-Backbone interact. energy: 1.565 local terms energy: -320.918161 where: bonds (distance) C4'-P energy: -60.700 bonds (distance) P-C4' energy: -52.876 flat angles C4'-P-C4' energy: -65.353 flat angles P-C4'-P energy: -48.233 tors. eta vs tors. theta energy: -93.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -905.166694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.166694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.166694 (E_RNA) where: Base-Base interactions energy: -605.106 where: short stacking energy: -261.326 Base-Backbone interact. energy: -1.722 local terms energy: -298.339279 where: bonds (distance) C4'-P energy: -60.682 bonds (distance) P-C4' energy: -55.525 flat angles C4'-P-C4' energy: -59.785 flat angles P-C4'-P energy: -45.542 tors. eta vs tors. theta energy: -76.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -877.167444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.167444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.167444 (E_RNA) where: Base-Base interactions energy: -604.144 where: short stacking energy: -252.927 Base-Backbone interact. energy: 5.887 local terms energy: -278.910675 where: bonds (distance) C4'-P energy: -51.675 bonds (distance) P-C4' energy: -59.184 flat angles C4'-P-C4' energy: -60.553 flat angles P-C4'-P energy: -40.210 tors. eta vs tors. theta energy: -67.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -754.096242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.096242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.096242 (E_RNA) where: Base-Base interactions energy: -478.733 where: short stacking energy: -220.808 Base-Backbone interact. energy: -1.967 local terms energy: -273.396758 where: bonds (distance) C4'-P energy: -49.460 bonds (distance) P-C4' energy: -53.131 flat angles C4'-P-C4' energy: -66.614 flat angles P-C4'-P energy: -41.226 tors. eta vs tors. theta energy: -62.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -641.631386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.631386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.631386 (E_RNA) where: Base-Base interactions energy: -414.510 where: short stacking energy: -184.585 Base-Backbone interact. energy: -1.243 local terms energy: -225.878062 where: bonds (distance) C4'-P energy: -49.831 bonds (distance) P-C4' energy: -50.632 flat angles C4'-P-C4' energy: -47.968 flat angles P-C4'-P energy: -31.022 tors. eta vs tors. theta energy: -46.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -414.223107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.223107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.223107 (E_RNA) where: Base-Base interactions energy: -199.906 where: short stacking energy: -119.572 Base-Backbone interact. energy: -0.577 local terms energy: -213.739925 where: bonds (distance) C4'-P energy: -50.472 bonds (distance) P-C4' energy: -60.985 flat angles C4'-P-C4' energy: -54.950 flat angles P-C4'-P energy: -40.320 tors. eta vs tors. theta energy: -7.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -361.085069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.085069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.085069 (E_RNA) where: Base-Base interactions energy: -154.690 where: short stacking energy: -99.788 Base-Backbone interact. energy: -0.990 local terms energy: -205.404588 where: bonds (distance) C4'-P energy: -53.253 bonds (distance) P-C4' energy: -60.599 flat angles C4'-P-C4' energy: -51.506 flat angles P-C4'-P energy: -29.123 tors. eta vs tors. theta energy: -10.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -299.766127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.766127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.766127 (E_RNA) where: Base-Base interactions energy: -134.547 where: short stacking energy: -92.124 Base-Backbone interact. energy: -2.249 local terms energy: -162.969950 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -55.134 flat angles C4'-P-C4' energy: -38.870 flat angles P-C4'-P energy: -29.037 tors. eta vs tors. theta energy: 16.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1043.058046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.058046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.058046 (E_RNA) where: Base-Base interactions energy: -705.638 where: short stacking energy: -315.666 Base-Backbone interact. energy: 2.475 local terms energy: -339.895054 where: bonds (distance) C4'-P energy: -64.460 bonds (distance) P-C4' energy: -61.494 flat angles C4'-P-C4' energy: -74.998 flat angles P-C4'-P energy: -49.090 tors. eta vs tors. theta energy: -89.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1009.623965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.623965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.623965 (E_RNA) where: Base-Base interactions energy: -680.392 where: short stacking energy: -297.356 Base-Backbone interact. energy: -3.778 local terms energy: -325.453010 where: bonds (distance) C4'-P energy: -68.638 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -71.031 flat angles P-C4'-P energy: -37.782 tors. eta vs tors. theta energy: -85.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -955.255224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.255224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.255224 (E_RNA) where: Base-Base interactions energy: -647.273 where: short stacking energy: -275.990 Base-Backbone interact. energy: -0.665 local terms energy: -307.317068 where: bonds (distance) C4'-P energy: -60.372 bonds (distance) P-C4' energy: -68.836 flat angles C4'-P-C4' energy: -61.270 flat angles P-C4'-P energy: -37.419 tors. eta vs tors. theta energy: -79.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -956.876195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.876195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.876195 (E_RNA) where: Base-Base interactions energy: -641.770 where: short stacking energy: -292.216 Base-Backbone interact. energy: -1.570 local terms energy: -313.536769 where: bonds (distance) C4'-P energy: -51.955 bonds (distance) P-C4' energy: -67.914 flat angles C4'-P-C4' energy: -58.436 flat angles P-C4'-P energy: -44.140 tors. eta vs tors. theta energy: -91.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -916.612583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.612583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.612583 (E_RNA) where: Base-Base interactions energy: -636.555 where: short stacking energy: -266.908 Base-Backbone interact. energy: 0.973 local terms energy: -281.030741 where: bonds (distance) C4'-P energy: -58.765 bonds (distance) P-C4' energy: -55.898 flat angles C4'-P-C4' energy: -61.636 flat angles P-C4'-P energy: -28.924 tors. eta vs tors. theta energy: -75.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -820.043353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.043353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.043353 (E_RNA) where: Base-Base interactions energy: -554.087 where: short stacking energy: -238.663 Base-Backbone interact. energy: -1.045 local terms energy: -264.911664 where: bonds (distance) C4'-P energy: -65.261 bonds (distance) P-C4' energy: -57.074 flat angles C4'-P-C4' energy: -54.239 flat angles P-C4'-P energy: -36.339 tors. eta vs tors. theta energy: -51.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -554.279130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.279130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.279130 (E_RNA) where: Base-Base interactions energy: -314.179 where: short stacking energy: -154.988 Base-Backbone interact. energy: -1.900 local terms energy: -238.199872 where: bonds (distance) C4'-P energy: -58.262 bonds (distance) P-C4' energy: -56.007 flat angles C4'-P-C4' energy: -52.312 flat angles P-C4'-P energy: -31.344 tors. eta vs tors. theta energy: -40.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -426.658921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.658921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.658921 (E_RNA) where: Base-Base interactions energy: -223.111 where: short stacking energy: -122.462 Base-Backbone interact. energy: 0.332 local terms energy: -203.879731 where: bonds (distance) C4'-P energy: -51.575 bonds (distance) P-C4' energy: -68.563 flat angles C4'-P-C4' energy: -47.781 flat angles P-C4'-P energy: -29.621 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -287.621816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.621816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.621816 (E_RNA) where: Base-Base interactions energy: -121.875 where: short stacking energy: -75.550 Base-Backbone interact. energy: 1.085 local terms energy: -166.832360 where: bonds (distance) C4'-P energy: -42.756 bonds (distance) P-C4' energy: -58.863 flat angles C4'-P-C4' energy: -54.251 flat angles P-C4'-P energy: -13.523 tors. eta vs tors. theta energy: 2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -334.228009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.228009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.228009 (E_RNA) where: Base-Base interactions energy: -140.503 where: short stacking energy: -107.041 Base-Backbone interact. energy: -0.730 local terms energy: -192.995205 where: bonds (distance) C4'-P energy: -52.639 bonds (distance) P-C4' energy: -49.240 flat angles C4'-P-C4' energy: -56.750 flat angles P-C4'-P energy: -31.848 tors. eta vs tors. theta energy: -2.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1031.180709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.180709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.180709 (E_RNA) where: Base-Base interactions energy: -720.900 where: short stacking energy: -313.553 Base-Backbone interact. energy: 1.360 local terms energy: -311.640850 where: bonds (distance) C4'-P energy: -60.000 bonds (distance) P-C4' energy: -60.750 flat angles C4'-P-C4' energy: -64.222 flat angles P-C4'-P energy: -42.591 tors. eta vs tors. theta energy: -84.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -996.225354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.225354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.225354 (E_RNA) where: Base-Base interactions energy: -676.268 where: short stacking energy: -284.195 Base-Backbone interact. energy: -1.237 local terms energy: -318.719562 where: bonds (distance) C4'-P energy: -61.698 bonds (distance) P-C4' energy: -65.473 flat angles C4'-P-C4' energy: -72.313 flat angles P-C4'-P energy: -43.160 tors. eta vs tors. theta energy: -76.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -976.024582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.024582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.024582 (E_RNA) where: Base-Base interactions energy: -651.987 where: short stacking energy: -304.648 Base-Backbone interact. energy: -1.045 local terms energy: -322.992671 where: bonds (distance) C4'-P energy: -45.103 bonds (distance) P-C4' energy: -67.987 flat angles C4'-P-C4' energy: -78.158 flat angles P-C4'-P energy: -43.332 tors. eta vs tors. theta energy: -88.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -926.937118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.937118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.937118 (E_RNA) where: Base-Base interactions energy: -629.068 where: short stacking energy: -274.088 Base-Backbone interact. energy: -0.463 local terms energy: -297.406236 where: bonds (distance) C4'-P energy: -65.652 bonds (distance) P-C4' energy: -64.990 flat angles C4'-P-C4' energy: -52.453 flat angles P-C4'-P energy: -31.079 tors. eta vs tors. theta energy: -83.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -914.604297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.604297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.604297 (E_RNA) where: Base-Base interactions energy: -612.507 where: short stacking energy: -267.499 Base-Backbone interact. energy: 0.494 local terms energy: -302.591836 where: bonds (distance) C4'-P energy: -58.589 bonds (distance) P-C4' energy: -60.953 flat angles C4'-P-C4' energy: -69.344 flat angles P-C4'-P energy: -43.549 tors. eta vs tors. theta energy: -70.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -844.861173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.861173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.861173 (E_RNA) where: Base-Base interactions energy: -574.313 where: short stacking energy: -242.985 Base-Backbone interact. energy: -1.023 local terms energy: -269.525901 where: bonds (distance) C4'-P energy: -50.246 bonds (distance) P-C4' energy: -56.056 flat angles C4'-P-C4' energy: -59.531 flat angles P-C4'-P energy: -49.618 tors. eta vs tors. theta energy: -54.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -581.073042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.073042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.073042 (E_RNA) where: Base-Base interactions energy: -336.678 where: short stacking energy: -178.736 Base-Backbone interact. energy: -0.651 local terms energy: -243.744519 where: bonds (distance) C4'-P energy: -48.050 bonds (distance) P-C4' energy: -62.732 flat angles C4'-P-C4' energy: -49.206 flat angles P-C4'-P energy: -45.102 tors. eta vs tors. theta energy: -38.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -434.241878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.241878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.241878 (E_RNA) where: Base-Base interactions energy: -235.284 where: short stacking energy: -140.561 Base-Backbone interact. energy: -1.707 local terms energy: -197.251581 where: bonds (distance) C4'-P energy: -33.368 bonds (distance) P-C4' energy: -61.338 flat angles C4'-P-C4' energy: -48.513 flat angles P-C4'-P energy: -24.748 tors. eta vs tors. theta energy: -29.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -325.670844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.670844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.670844 (E_RNA) where: Base-Base interactions energy: -137.006 where: short stacking energy: -97.632 Base-Backbone interact. energy: -0.286 local terms energy: -188.378309 where: bonds (distance) C4'-P energy: -46.049 bonds (distance) P-C4' energy: -52.749 flat angles C4'-P-C4' energy: -53.365 flat angles P-C4'-P energy: -31.675 tors. eta vs tors. theta energy: -4.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -322.388397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.388397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.388397 (E_RNA) where: Base-Base interactions energy: -149.798 where: short stacking energy: -95.923 Base-Backbone interact. energy: -2.085 local terms energy: -170.505140 where: bonds (distance) C4'-P energy: -44.416 bonds (distance) P-C4' energy: -63.651 flat angles C4'-P-C4' energy: -56.182 flat angles P-C4'-P energy: -17.681 tors. eta vs tors. theta energy: 11.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1023.069351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.069351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.069351 (E_RNA) where: Base-Base interactions energy: -691.089 where: short stacking energy: -294.495 Base-Backbone interact. energy: -0.438 local terms energy: -331.542210 where: bonds (distance) C4'-P energy: -65.301 bonds (distance) P-C4' energy: -65.779 flat angles C4'-P-C4' energy: -74.756 flat angles P-C4'-P energy: -38.277 tors. eta vs tors. theta energy: -87.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1005.628302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.628302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.628302 (E_RNA) where: Base-Base interactions energy: -674.277 where: short stacking energy: -287.599 Base-Backbone interact. energy: -0.999 local terms energy: -330.352040 where: bonds (distance) C4'-P energy: -66.060 bonds (distance) P-C4' energy: -65.680 flat angles C4'-P-C4' energy: -63.901 flat angles P-C4'-P energy: -51.375 tors. eta vs tors. theta energy: -83.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1001.615450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.615450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.615450 (E_RNA) where: Base-Base interactions energy: -687.572 where: short stacking energy: -306.555 Base-Backbone interact. energy: -2.204 local terms energy: -311.839765 where: bonds (distance) C4'-P energy: -51.462 bonds (distance) P-C4' energy: -57.237 flat angles C4'-P-C4' energy: -72.665 flat angles P-C4'-P energy: -43.204 tors. eta vs tors. theta energy: -87.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -934.783045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.783045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.783045 (E_RNA) where: Base-Base interactions energy: -619.082 where: short stacking energy: -267.632 Base-Backbone interact. energy: -1.162 local terms energy: -314.538995 where: bonds (distance) C4'-P energy: -57.855 bonds (distance) P-C4' energy: -56.362 flat angles C4'-P-C4' energy: -67.121 flat angles P-C4'-P energy: -53.934 tors. eta vs tors. theta energy: -79.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -870.020188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.020188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.020188 (E_RNA) where: Base-Base interactions energy: -586.104 where: short stacking energy: -238.829 Base-Backbone interact. energy: -0.043 local terms energy: -283.873835 where: bonds (distance) C4'-P energy: -60.162 bonds (distance) P-C4' energy: -62.218 flat angles C4'-P-C4' energy: -64.588 flat angles P-C4'-P energy: -39.113 tors. eta vs tors. theta energy: -57.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -884.276440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.276440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.276440 (E_RNA) where: Base-Base interactions energy: -612.481 where: short stacking energy: -253.212 Base-Backbone interact. energy: -0.472 local terms energy: -271.322691 where: bonds (distance) C4'-P energy: -56.125 bonds (distance) P-C4' energy: -56.543 flat angles C4'-P-C4' energy: -64.763 flat angles P-C4'-P energy: -22.861 tors. eta vs tors. theta energy: -71.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -584.935945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.935945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.935945 (E_RNA) where: Base-Base interactions energy: -335.080 where: short stacking energy: -166.475 Base-Backbone interact. energy: 1.671 local terms energy: -251.526275 where: bonds (distance) C4'-P energy: -57.331 bonds (distance) P-C4' energy: -62.372 flat angles C4'-P-C4' energy: -46.327 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: -38.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -460.433474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.433474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.433474 (E_RNA) where: Base-Base interactions energy: -234.043 where: short stacking energy: -144.885 Base-Backbone interact. energy: -0.467 local terms energy: -225.923584 where: bonds (distance) C4'-P energy: -49.020 bonds (distance) P-C4' energy: -61.358 flat angles C4'-P-C4' energy: -51.585 flat angles P-C4'-P energy: -29.093 tors. eta vs tors. theta energy: -34.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -358.385653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.385653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.385653 (E_RNA) where: Base-Base interactions energy: -167.053 where: short stacking energy: -96.154 Base-Backbone interact. energy: -0.638 local terms energy: -190.694659 where: bonds (distance) C4'-P energy: -54.287 bonds (distance) P-C4' energy: -40.930 flat angles C4'-P-C4' energy: -61.058 flat angles P-C4'-P energy: -33.761 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -277.448928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.448928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.448928 (E_RNA) where: Base-Base interactions energy: -104.113 where: short stacking energy: -81.412 Base-Backbone interact. energy: 5.108 local terms energy: -178.443555 where: bonds (distance) C4'-P energy: -51.959 bonds (distance) P-C4' energy: -60.053 flat angles C4'-P-C4' energy: -49.415 flat angles P-C4'-P energy: -26.690 tors. eta vs tors. theta energy: 9.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1025.852468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.852468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.852468 (E_RNA) where: Base-Base interactions energy: -692.388 where: short stacking energy: -292.562 Base-Backbone interact. energy: -3.820 local terms energy: -329.644272 where: bonds (distance) C4'-P energy: -70.953 bonds (distance) P-C4' energy: -66.849 flat angles C4'-P-C4' energy: -63.068 flat angles P-C4'-P energy: -45.775 tors. eta vs tors. theta energy: -82.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1023.029416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.029416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.029416 (E_RNA) where: Base-Base interactions energy: -694.250 where: short stacking energy: -311.476 Base-Backbone interact. energy: 2.768 local terms energy: -331.547532 where: bonds (distance) C4'-P energy: -57.315 bonds (distance) P-C4' energy: -62.595 flat angles C4'-P-C4' energy: -75.185 flat angles P-C4'-P energy: -49.119 tors. eta vs tors. theta energy: -87.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1020.408685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.408685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.408685 (E_RNA) where: Base-Base interactions energy: -695.945 where: short stacking energy: -311.200 Base-Backbone interact. energy: -1.874 local terms energy: -322.589376 where: bonds (distance) C4'-P energy: -57.826 bonds (distance) P-C4' energy: -57.664 flat angles C4'-P-C4' energy: -68.365 flat angles P-C4'-P energy: -45.083 tors. eta vs tors. theta energy: -93.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -914.201636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.201636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.201636 (E_RNA) where: Base-Base interactions energy: -617.766 where: short stacking energy: -277.227 Base-Backbone interact. energy: 1.059 local terms energy: -297.494873 where: bonds (distance) C4'-P energy: -54.902 bonds (distance) P-C4' energy: -58.233 flat angles C4'-P-C4' energy: -65.224 flat angles P-C4'-P energy: -43.323 tors. eta vs tors. theta energy: -75.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -894.949320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.949320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.949320 (E_RNA) where: Base-Base interactions energy: -606.668 where: short stacking energy: -261.537 Base-Backbone interact. energy: -1.548 local terms energy: -286.733160 where: bonds (distance) C4'-P energy: -54.361 bonds (distance) P-C4' energy: -60.570 flat angles C4'-P-C4' energy: -66.728 flat angles P-C4'-P energy: -31.748 tors. eta vs tors. theta energy: -73.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -882.929348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.929348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.929348 (E_RNA) where: Base-Base interactions energy: -609.034 where: short stacking energy: -271.447 Base-Backbone interact. energy: 1.737 local terms energy: -275.631717 where: bonds (distance) C4'-P energy: -59.307 bonds (distance) P-C4' energy: -42.475 flat angles C4'-P-C4' energy: -54.554 flat angles P-C4'-P energy: -41.086 tors. eta vs tors. theta energy: -78.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -579.314199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.314199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.314199 (E_RNA) where: Base-Base interactions energy: -340.814 where: short stacking energy: -160.229 Base-Backbone interact. energy: -0.538 local terms energy: -237.961562 where: bonds (distance) C4'-P energy: -55.858 bonds (distance) P-C4' energy: -59.429 flat angles C4'-P-C4' energy: -54.458 flat angles P-C4'-P energy: -40.412 tors. eta vs tors. theta energy: -27.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -459.499358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.499358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.499358 (E_RNA) where: Base-Base interactions energy: -249.363 where: short stacking energy: -126.792 Base-Backbone interact. energy: 8.112 local terms energy: -218.248562 where: bonds (distance) C4'-P energy: -47.181 bonds (distance) P-C4' energy: -53.808 flat angles C4'-P-C4' energy: -52.767 flat angles P-C4'-P energy: -38.558 tors. eta vs tors. theta energy: -25.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -361.108830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.108830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.108830 (E_RNA) where: Base-Base interactions energy: -164.925 where: short stacking energy: -99.821 Base-Backbone interact. energy: 1.680 local terms energy: -197.863935 where: bonds (distance) C4'-P energy: -55.168 bonds (distance) P-C4' energy: -50.505 flat angles C4'-P-C4' energy: -56.390 flat angles P-C4'-P energy: -32.639 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -259.817882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.817882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.817882 (E_RNA) where: Base-Base interactions energy: -97.342 where: short stacking energy: -74.149 Base-Backbone interact. energy: 1.020 local terms energy: -163.496190 where: bonds (distance) C4'-P energy: -62.249 bonds (distance) P-C4' energy: -52.018 flat angles C4'-P-C4' energy: -34.604 flat angles P-C4'-P energy: -29.405 tors. eta vs tors. theta energy: 14.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1025.103468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.103468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.103468 (E_RNA) where: Base-Base interactions energy: -701.640 where: short stacking energy: -301.057 Base-Backbone interact. energy: -0.418 local terms energy: -323.045277 where: bonds (distance) C4'-P energy: -64.055 bonds (distance) P-C4' energy: -60.916 flat angles C4'-P-C4' energy: -66.439 flat angles P-C4'-P energy: -48.829 tors. eta vs tors. theta energy: -82.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -980.548138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.548138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.548138 (E_RNA) where: Base-Base interactions energy: -663.436 where: short stacking energy: -290.520 Base-Backbone interact. energy: -0.992 local terms energy: -316.119663 where: bonds (distance) C4'-P energy: -63.248 bonds (distance) P-C4' energy: -60.777 flat angles C4'-P-C4' energy: -65.498 flat angles P-C4'-P energy: -44.530 tors. eta vs tors. theta energy: -82.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1017.331387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.331387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.331387 (E_RNA) where: Base-Base interactions energy: -696.260 where: short stacking energy: -329.635 Base-Backbone interact. energy: 0.470 local terms energy: -321.541108 where: bonds (distance) C4'-P energy: -52.840 bonds (distance) P-C4' energy: -60.826 flat angles C4'-P-C4' energy: -72.101 flat angles P-C4'-P energy: -47.710 tors. eta vs tors. theta energy: -88.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -936.102970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.102970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.102970 (E_RNA) where: Base-Base interactions energy: -616.889 where: short stacking energy: -289.507 Base-Backbone interact. energy: -1.117 local terms energy: -318.096628 where: bonds (distance) C4'-P energy: -62.211 bonds (distance) P-C4' energy: -60.959 flat angles C4'-P-C4' energy: -69.231 flat angles P-C4'-P energy: -47.157 tors. eta vs tors. theta energy: -78.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -923.950785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.950785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.950785 (E_RNA) where: Base-Base interactions energy: -618.026 where: short stacking energy: -272.683 Base-Backbone interact. energy: -0.912 local terms energy: -305.013493 where: bonds (distance) C4'-P energy: -65.460 bonds (distance) P-C4' energy: -67.103 flat angles C4'-P-C4' energy: -56.096 flat angles P-C4'-P energy: -37.846 tors. eta vs tors. theta energy: -78.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -855.795005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.795005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.795005 (E_RNA) where: Base-Base interactions energy: -582.446 where: short stacking energy: -248.813 Base-Backbone interact. energy: -1.677 local terms energy: -271.671967 where: bonds (distance) C4'-P energy: -51.566 bonds (distance) P-C4' energy: -64.345 flat angles C4'-P-C4' energy: -50.633 flat angles P-C4'-P energy: -38.183 tors. eta vs tors. theta energy: -66.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -637.180269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.180269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.180269 (E_RNA) where: Base-Base interactions energy: -372.393 where: short stacking energy: -181.266 Base-Backbone interact. energy: -1.177 local terms energy: -263.610216 where: bonds (distance) C4'-P energy: -55.381 bonds (distance) P-C4' energy: -58.663 flat angles C4'-P-C4' energy: -69.617 flat angles P-C4'-P energy: -38.539 tors. eta vs tors. theta energy: -41.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -502.212237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.212237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.212237 (E_RNA) where: Base-Base interactions energy: -260.210 where: short stacking energy: -139.348 Base-Backbone interact. energy: -1.063 local terms energy: -240.939526 where: bonds (distance) C4'-P energy: -56.911 bonds (distance) P-C4' energy: -70.042 flat angles C4'-P-C4' energy: -61.540 flat angles P-C4'-P energy: -45.486 tors. eta vs tors. theta energy: -6.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -287.390018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.390018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.390018 (E_RNA) where: Base-Base interactions energy: -106.553 where: short stacking energy: -90.939 Base-Backbone interact. energy: -1.143 local terms energy: -179.693881 where: bonds (distance) C4'-P energy: -59.229 bonds (distance) P-C4' energy: -40.539 flat angles C4'-P-C4' energy: -37.967 flat angles P-C4'-P energy: -26.532 tors. eta vs tors. theta energy: -15.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -322.843664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.843664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.843664 (E_RNA) where: Base-Base interactions energy: -156.647 where: short stacking energy: -93.259 Base-Backbone interact. energy: 2.811 local terms energy: -169.008311 where: bonds (distance) C4'-P energy: -46.066 bonds (distance) P-C4' energy: -46.263 flat angles C4'-P-C4' energy: -38.920 flat angles P-C4'-P energy: -36.656 tors. eta vs tors. theta energy: -1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1049.011369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.011369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.011369 (E_RNA) where: Base-Base interactions energy: -706.871 where: short stacking energy: -290.092 Base-Backbone interact. energy: -4.222 local terms energy: -337.918346 where: bonds (distance) C4'-P energy: -62.165 bonds (distance) P-C4' energy: -76.023 flat angles C4'-P-C4' energy: -73.215 flat angles P-C4'-P energy: -42.480 tors. eta vs tors. theta energy: -84.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1039.599725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.599725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.599725 (E_RNA) where: Base-Base interactions energy: -706.521 where: short stacking energy: -305.655 Base-Backbone interact. energy: -2.354 local terms energy: -330.724512 where: bonds (distance) C4'-P energy: -52.622 bonds (distance) P-C4' energy: -66.645 flat angles C4'-P-C4' energy: -72.568 flat angles P-C4'-P energy: -47.468 tors. eta vs tors. theta energy: -91.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -979.138104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.138104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.138104 (E_RNA) where: Base-Base interactions energy: -674.179 where: short stacking energy: -297.355 Base-Backbone interact. energy: -0.581 local terms energy: -304.378357 where: bonds (distance) C4'-P energy: -57.089 bonds (distance) P-C4' energy: -59.099 flat angles C4'-P-C4' energy: -70.941 flat angles P-C4'-P energy: -39.519 tors. eta vs tors. theta energy: -77.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -946.519091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.519091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.519091 (E_RNA) where: Base-Base interactions energy: -635.636 where: short stacking energy: -272.739 Base-Backbone interact. energy: -2.693 local terms energy: -308.189503 where: bonds (distance) C4'-P energy: -60.899 bonds (distance) P-C4' energy: -65.023 flat angles C4'-P-C4' energy: -70.503 flat angles P-C4'-P energy: -39.498 tors. eta vs tors. theta energy: -72.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -917.902220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.902220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.902220 (E_RNA) where: Base-Base interactions energy: -612.361 where: short stacking energy: -271.845 Base-Backbone interact. energy: 4.299 local terms energy: -309.840359 where: bonds (distance) C4'-P energy: -52.851 bonds (distance) P-C4' energy: -61.733 flat angles C4'-P-C4' energy: -73.403 flat angles P-C4'-P energy: -42.825 tors. eta vs tors. theta energy: -79.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -858.898965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.898965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.898965 (E_RNA) where: Base-Base interactions energy: -598.891 where: short stacking energy: -259.539 Base-Backbone interact. energy: 0.265 local terms energy: -260.273134 where: bonds (distance) C4'-P energy: -48.717 bonds (distance) P-C4' energy: -55.580 flat angles C4'-P-C4' energy: -51.658 flat angles P-C4'-P energy: -31.918 tors. eta vs tors. theta energy: -72.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -595.621162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.621162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.621162 (E_RNA) where: Base-Base interactions energy: -362.415 where: short stacking energy: -178.420 Base-Backbone interact. energy: 0.442 local terms energy: -233.647774 where: bonds (distance) C4'-P energy: -50.964 bonds (distance) P-C4' energy: -63.956 flat angles C4'-P-C4' energy: -59.289 flat angles P-C4'-P energy: -34.201 tors. eta vs tors. theta energy: -25.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -562.516479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.516479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.516479 (E_RNA) where: Base-Base interactions energy: -355.137 where: short stacking energy: -183.610 Base-Backbone interact. energy: 1.160 local terms energy: -208.539838 where: bonds (distance) C4'-P energy: -41.181 bonds (distance) P-C4' energy: -51.124 flat angles C4'-P-C4' energy: -50.721 flat angles P-C4'-P energy: -32.307 tors. eta vs tors. theta energy: -33.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -312.547387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.547387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.547387 (E_RNA) where: Base-Base interactions energy: -116.388 where: short stacking energy: -83.245 Base-Backbone interact. energy: -1.039 local terms energy: -195.119649 where: bonds (distance) C4'-P energy: -48.710 bonds (distance) P-C4' energy: -63.520 flat angles C4'-P-C4' energy: -51.871 flat angles P-C4'-P energy: -36.098 tors. eta vs tors. theta energy: 5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -284.964614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.964614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.964614 (E_RNA) where: Base-Base interactions energy: -120.004 where: short stacking energy: -68.857 Base-Backbone interact. energy: -2.373 local terms energy: -162.587439 where: bonds (distance) C4'-P energy: -57.415 bonds (distance) P-C4' energy: -44.546 flat angles C4'-P-C4' energy: -49.494 flat angles P-C4'-P energy: -21.328 tors. eta vs tors. theta energy: 10.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1037.008711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.008711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.008711 (E_RNA) where: Base-Base interactions energy: -700.193 where: short stacking energy: -296.691 Base-Backbone interact. energy: 2.256 local terms energy: -339.071810 where: bonds (distance) C4'-P energy: -72.169 bonds (distance) P-C4' energy: -66.981 flat angles C4'-P-C4' energy: -65.499 flat angles P-C4'-P energy: -52.514 tors. eta vs tors. theta energy: -81.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1024.154973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.154973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.154973 (E_RNA) where: Base-Base interactions energy: -698.521 where: short stacking energy: -271.381 Base-Backbone interact. energy: -0.692 local terms energy: -324.941868 where: bonds (distance) C4'-P energy: -70.770 bonds (distance) P-C4' energy: -59.919 flat angles C4'-P-C4' energy: -69.222 flat angles P-C4'-P energy: -44.427 tors. eta vs tors. theta energy: -80.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -970.877174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.877174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.877174 (E_RNA) where: Base-Base interactions energy: -656.303 where: short stacking energy: -306.566 Base-Backbone interact. energy: -0.049 local terms energy: -314.525656 where: bonds (distance) C4'-P energy: -58.894 bonds (distance) P-C4' energy: -59.180 flat angles C4'-P-C4' energy: -62.067 flat angles P-C4'-P energy: -46.753 tors. eta vs tors. theta energy: -87.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -927.656360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.656360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.656360 (E_RNA) where: Base-Base interactions energy: -644.292 where: short stacking energy: -259.892 Base-Backbone interact. energy: -0.690 local terms energy: -282.674681 where: bonds (distance) C4'-P energy: -51.439 bonds (distance) P-C4' energy: -59.990 flat angles C4'-P-C4' energy: -64.840 flat angles P-C4'-P energy: -40.396 tors. eta vs tors. theta energy: -66.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -904.134367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.134367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.134367 (E_RNA) where: Base-Base interactions energy: -615.551 where: short stacking energy: -254.997 Base-Backbone interact. energy: -0.919 local terms energy: -287.664738 where: bonds (distance) C4'-P energy: -53.908 bonds (distance) P-C4' energy: -48.105 flat angles C4'-P-C4' energy: -69.134 flat angles P-C4'-P energy: -47.420 tors. eta vs tors. theta energy: -69.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -881.436024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.436024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.436024 (E_RNA) where: Base-Base interactions energy: -615.287 where: short stacking energy: -273.519 Base-Backbone interact. energy: -1.161 local terms energy: -264.988371 where: bonds (distance) C4'-P energy: -39.342 bonds (distance) P-C4' energy: -47.465 flat angles C4'-P-C4' energy: -65.597 flat angles P-C4'-P energy: -35.527 tors. eta vs tors. theta energy: -77.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -651.189046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.189046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.189046 (E_RNA) where: Base-Base interactions energy: -405.892 where: short stacking energy: -191.008 Base-Backbone interact. energy: -2.466 local terms energy: -242.830662 where: bonds (distance) C4'-P energy: -51.189 bonds (distance) P-C4' energy: -53.403 flat angles C4'-P-C4' energy: -54.906 flat angles P-C4'-P energy: -37.764 tors. eta vs tors. theta energy: -45.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -570.610282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.610282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.610282 (E_RNA) where: Base-Base interactions energy: -357.098 where: short stacking energy: -169.288 Base-Backbone interact. energy: -1.669 local terms energy: -211.843018 where: bonds (distance) C4'-P energy: -56.890 bonds (distance) P-C4' energy: -44.558 flat angles C4'-P-C4' energy: -47.911 flat angles P-C4'-P energy: -37.466 tors. eta vs tors. theta energy: -25.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -289.253827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.253827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.253827 (E_RNA) where: Base-Base interactions energy: -102.158 where: short stacking energy: -97.667 Base-Backbone interact. energy: -1.493 local terms energy: -185.602614 where: bonds (distance) C4'-P energy: -51.819 bonds (distance) P-C4' energy: -61.625 flat angles C4'-P-C4' energy: -44.518 flat angles P-C4'-P energy: -26.702 tors. eta vs tors. theta energy: -0.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -290.102289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.102289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.102289 (E_RNA) where: Base-Base interactions energy: -98.605 where: short stacking energy: -77.436 Base-Backbone interact. energy: -0.740 local terms energy: -190.756887 where: bonds (distance) C4'-P energy: -60.327 bonds (distance) P-C4' energy: -49.842 flat angles C4'-P-C4' energy: -49.767 flat angles P-C4'-P energy: -34.026 tors. eta vs tors. theta energy: 3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1047.739959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.739959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.739959 (E_RNA) where: Base-Base interactions energy: -708.216 where: short stacking energy: -308.259 Base-Backbone interact. energy: -1.336 local terms energy: -338.188340 where: bonds (distance) C4'-P energy: -63.519 bonds (distance) P-C4' energy: -65.818 flat angles C4'-P-C4' energy: -68.721 flat angles P-C4'-P energy: -50.140 tors. eta vs tors. theta energy: -89.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1001.371479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.371479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.371479 (E_RNA) where: Base-Base interactions energy: -661.993 where: short stacking energy: -293.195 Base-Backbone interact. energy: 0.414 local terms energy: -339.792956 where: bonds (distance) C4'-P energy: -60.799 bonds (distance) P-C4' energy: -75.278 flat angles C4'-P-C4' energy: -71.547 flat angles P-C4'-P energy: -44.035 tors. eta vs tors. theta energy: -88.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -967.814025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.814025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.814025 (E_RNA) where: Base-Base interactions energy: -652.848 where: short stacking energy: -270.485 Base-Backbone interact. energy: -2.766 local terms energy: -312.200402 where: bonds (distance) C4'-P energy: -67.647 bonds (distance) P-C4' energy: -70.007 flat angles C4'-P-C4' energy: -58.814 flat angles P-C4'-P energy: -45.353 tors. eta vs tors. theta energy: -70.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -955.847834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.847834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.847834 (E_RNA) where: Base-Base interactions energy: -641.625 where: short stacking energy: -271.154 Base-Backbone interact. energy: -0.754 local terms energy: -313.468991 where: bonds (distance) C4'-P energy: -58.685 bonds (distance) P-C4' energy: -59.978 flat angles C4'-P-C4' energy: -71.893 flat angles P-C4'-P energy: -47.128 tors. eta vs tors. theta energy: -75.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -851.397638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.397638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.397638 (E_RNA) where: Base-Base interactions energy: -557.948 where: short stacking energy: -240.569 Base-Backbone interact. energy: -2.218 local terms energy: -291.231178 where: bonds (distance) C4'-P energy: -62.755 bonds (distance) P-C4' energy: -59.571 flat angles C4'-P-C4' energy: -61.358 flat angles P-C4'-P energy: -45.471 tors. eta vs tors. theta energy: -62.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -867.874952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.874952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.874952 (E_RNA) where: Base-Base interactions energy: -590.245 where: short stacking energy: -246.510 Base-Backbone interact. energy: -0.749 local terms energy: -276.880332 where: bonds (distance) C4'-P energy: -49.717 bonds (distance) P-C4' energy: -60.644 flat angles C4'-P-C4' energy: -63.663 flat angles P-C4'-P energy: -40.702 tors. eta vs tors. theta energy: -62.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -642.757481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.757481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.757481 (E_RNA) where: Base-Base interactions energy: -388.760 where: short stacking energy: -211.381 Base-Backbone interact. energy: -0.831 local terms energy: -253.166128 where: bonds (distance) C4'-P energy: -51.698 bonds (distance) P-C4' energy: -55.958 flat angles C4'-P-C4' energy: -59.503 flat angles P-C4'-P energy: -30.852 tors. eta vs tors. theta energy: -55.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -584.433176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.433176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.433176 (E_RNA) where: Base-Base interactions energy: -344.066 where: short stacking energy: -177.848 Base-Backbone interact. energy: 3.833 local terms energy: -244.200679 where: bonds (distance) C4'-P energy: -56.781 bonds (distance) P-C4' energy: -51.886 flat angles C4'-P-C4' energy: -53.891 flat angles P-C4'-P energy: -33.469 tors. eta vs tors. theta energy: -48.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -287.171999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.171999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.171999 (E_RNA) where: Base-Base interactions energy: -116.556 where: short stacking energy: -87.426 Base-Backbone interact. energy: 2.106 local terms energy: -172.722885 where: bonds (distance) C4'-P energy: -50.589 bonds (distance) P-C4' energy: -59.935 flat angles C4'-P-C4' energy: -42.224 flat angles P-C4'-P energy: -24.848 tors. eta vs tors. theta energy: 4.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -258.859987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.859987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.859987 (E_RNA) where: Base-Base interactions energy: -91.513 where: short stacking energy: -75.533 Base-Backbone interact. energy: -0.867 local terms energy: -166.479455 where: bonds (distance) C4'-P energy: -32.382 bonds (distance) P-C4' energy: -56.081 flat angles C4'-P-C4' energy: -47.559 flat angles P-C4'-P energy: -26.538 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1052.003659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.003659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.003659 (E_RNA) where: Base-Base interactions energy: -715.223 where: short stacking energy: -308.151 Base-Backbone interact. energy: -2.362 local terms energy: -334.418488 where: bonds (distance) C4'-P energy: -63.782 bonds (distance) P-C4' energy: -69.773 flat angles C4'-P-C4' energy: -72.150 flat angles P-C4'-P energy: -45.258 tors. eta vs tors. theta energy: -83.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -998.695042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.695042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.695042 (E_RNA) where: Base-Base interactions energy: -668.555 where: short stacking energy: -289.307 Base-Backbone interact. energy: -1.945 local terms energy: -328.195810 where: bonds (distance) C4'-P energy: -62.218 bonds (distance) P-C4' energy: -64.396 flat angles C4'-P-C4' energy: -74.785 flat angles P-C4'-P energy: -41.238 tors. eta vs tors. theta energy: -85.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -967.788033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.788033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.788033 (E_RNA) where: Base-Base interactions energy: -638.845 where: short stacking energy: -281.114 Base-Backbone interact. energy: -2.025 local terms energy: -326.918229 where: bonds (distance) C4'-P energy: -48.088 bonds (distance) P-C4' energy: -67.690 flat angles C4'-P-C4' energy: -79.948 flat angles P-C4'-P energy: -49.830 tors. eta vs tors. theta energy: -81.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -978.327098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.327098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.327098 (E_RNA) where: Base-Base interactions energy: -681.626 where: short stacking energy: -299.558 Base-Backbone interact. energy: -0.289 local terms energy: -296.412816 where: bonds (distance) C4'-P energy: -61.132 bonds (distance) P-C4' energy: -62.776 flat angles C4'-P-C4' energy: -56.800 flat angles P-C4'-P energy: -31.021 tors. eta vs tors. theta energy: -84.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -880.539346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.539346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.539346 (E_RNA) where: Base-Base interactions energy: -573.832 where: short stacking energy: -260.706 Base-Backbone interact. energy: -4.833 local terms energy: -301.873778 where: bonds (distance) C4'-P energy: -56.203 bonds (distance) P-C4' energy: -59.993 flat angles C4'-P-C4' energy: -67.648 flat angles P-C4'-P energy: -44.830 tors. eta vs tors. theta energy: -73.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -864.890367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.890367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.890367 (E_RNA) where: Base-Base interactions energy: -575.572 where: short stacking energy: -248.930 Base-Backbone interact. energy: -1.306 local terms energy: -288.012599 where: bonds (distance) C4'-P energy: -52.711 bonds (distance) P-C4' energy: -65.550 flat angles C4'-P-C4' energy: -65.245 flat angles P-C4'-P energy: -38.113 tors. eta vs tors. theta energy: -66.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -689.426336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.426336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.426336 (E_RNA) where: Base-Base interactions energy: -438.399 where: short stacking energy: -214.043 Base-Backbone interact. energy: 0.375 local terms energy: -251.402740 where: bonds (distance) C4'-P energy: -53.374 bonds (distance) P-C4' energy: -47.617 flat angles C4'-P-C4' energy: -55.994 flat angles P-C4'-P energy: -40.381 tors. eta vs tors. theta energy: -54.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -540.350425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.350425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.350425 (E_RNA) where: Base-Base interactions energy: -324.664 where: short stacking energy: -148.281 Base-Backbone interact. energy: -1.997 local terms energy: -213.689549 where: bonds (distance) C4'-P energy: -48.788 bonds (distance) P-C4' energy: -58.722 flat angles C4'-P-C4' energy: -61.665 flat angles P-C4'-P energy: -21.634 tors. eta vs tors. theta energy: -22.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -315.544381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.544381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.544381 (E_RNA) where: Base-Base interactions energy: -132.472 where: short stacking energy: -94.648 Base-Backbone interact. energy: -1.122 local terms energy: -181.950169 where: bonds (distance) C4'-P energy: -53.917 bonds (distance) P-C4' energy: -53.430 flat angles C4'-P-C4' energy: -40.499 flat angles P-C4'-P energy: -27.247 tors. eta vs tors. theta energy: -6.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -265.792400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.792400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.792400 (E_RNA) where: Base-Base interactions energy: -88.188 where: short stacking energy: -83.080 Base-Backbone interact. energy: -1.252 local terms energy: -176.352813 where: bonds (distance) C4'-P energy: -54.065 bonds (distance) P-C4' energy: -59.695 flat angles C4'-P-C4' energy: -33.559 flat angles P-C4'-P energy: -35.784 tors. eta vs tors. theta energy: 6.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1056.703235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.703235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.703235 (E_RNA) where: Base-Base interactions energy: -706.293 where: short stacking energy: -320.726 Base-Backbone interact. energy: -0.444 local terms energy: -349.966770 where: bonds (distance) C4'-P energy: -70.778 bonds (distance) P-C4' energy: -67.364 flat angles C4'-P-C4' energy: -69.779 flat angles P-C4'-P energy: -48.438 tors. eta vs tors. theta energy: -93.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1006.469883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.469883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.469883 (E_RNA) where: Base-Base interactions energy: -662.384 where: short stacking energy: -304.371 Base-Backbone interact. energy: 2.110 local terms energy: -346.195840 where: bonds (distance) C4'-P energy: -67.172 bonds (distance) P-C4' energy: -70.990 flat angles C4'-P-C4' energy: -75.134 flat angles P-C4'-P energy: -49.704 tors. eta vs tors. theta energy: -83.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -943.992024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.992024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.992024 (E_RNA) where: Base-Base interactions energy: -616.789 where: short stacking energy: -273.589 Base-Backbone interact. energy: -1.217 local terms energy: -325.985956 where: bonds (distance) C4'-P energy: -67.173 bonds (distance) P-C4' energy: -61.389 flat angles C4'-P-C4' energy: -70.487 flat angles P-C4'-P energy: -52.456 tors. eta vs tors. theta energy: -74.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -987.534279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.534279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.534279 (E_RNA) where: Base-Base interactions energy: -659.206 where: short stacking energy: -285.498 Base-Backbone interact. energy: -1.507 local terms energy: -326.820851 where: bonds (distance) C4'-P energy: -59.723 bonds (distance) P-C4' energy: -60.196 flat angles C4'-P-C4' energy: -72.261 flat angles P-C4'-P energy: -53.551 tors. eta vs tors. theta energy: -81.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -907.196632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.196632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.196632 (E_RNA) where: Base-Base interactions energy: -602.482 where: short stacking energy: -262.551 Base-Backbone interact. energy: -0.148 local terms energy: -304.567084 where: bonds (distance) C4'-P energy: -55.593 bonds (distance) P-C4' energy: -66.717 flat angles C4'-P-C4' energy: -72.514 flat angles P-C4'-P energy: -41.083 tors. eta vs tors. theta energy: -68.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -855.298345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.298345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.298345 (E_RNA) where: Base-Base interactions energy: -572.867 where: short stacking energy: -256.297 Base-Backbone interact. energy: -0.926 local terms energy: -281.505648 where: bonds (distance) C4'-P energy: -52.609 bonds (distance) P-C4' energy: -63.707 flat angles C4'-P-C4' energy: -61.970 flat angles P-C4'-P energy: -43.654 tors. eta vs tors. theta energy: -59.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -716.567476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.567476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.567476 (E_RNA) where: Base-Base interactions energy: -456.445 where: short stacking energy: -221.382 Base-Backbone interact. energy: 0.354 local terms energy: -260.476320 where: bonds (distance) C4'-P energy: -41.543 bonds (distance) P-C4' energy: -63.177 flat angles C4'-P-C4' energy: -56.750 flat angles P-C4'-P energy: -42.790 tors. eta vs tors. theta energy: -56.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -516.935942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.935942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.935942 (E_RNA) where: Base-Base interactions energy: -290.570 where: short stacking energy: -140.571 Base-Backbone interact. energy: -1.206 local terms energy: -225.159530 where: bonds (distance) C4'-P energy: -55.970 bonds (distance) P-C4' energy: -46.605 flat angles C4'-P-C4' energy: -55.277 flat angles P-C4'-P energy: -40.230 tors. eta vs tors. theta energy: -27.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -303.294687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.294687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.294687 (E_RNA) where: Base-Base interactions energy: -118.954 where: short stacking energy: -80.931 Base-Backbone interact. energy: -0.162 local terms energy: -184.178710 where: bonds (distance) C4'-P energy: -52.082 bonds (distance) P-C4' energy: -63.295 flat angles C4'-P-C4' energy: -52.014 flat angles P-C4'-P energy: -24.344 tors. eta vs tors. theta energy: 7.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -268.787418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.787418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.787418 (E_RNA) where: Base-Base interactions energy: -85.667 where: short stacking energy: -74.198 Base-Backbone interact. energy: 4.169 local terms energy: -187.290165 where: bonds (distance) C4'-P energy: -60.467 bonds (distance) P-C4' energy: -56.565 flat angles C4'-P-C4' energy: -48.345 flat angles P-C4'-P energy: -35.745 tors. eta vs tors. theta energy: 13.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1036.472994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.472994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.472994 (E_RNA) where: Base-Base interactions energy: -697.220 where: short stacking energy: -310.756 Base-Backbone interact. energy: -1.500 local terms energy: -337.752811 where: bonds (distance) C4'-P energy: -69.888 bonds (distance) P-C4' energy: -62.357 flat angles C4'-P-C4' energy: -75.281 flat angles P-C4'-P energy: -41.344 tors. eta vs tors. theta energy: -88.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -966.221075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.221075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.221075 (E_RNA) where: Base-Base interactions energy: -662.284 where: short stacking energy: -286.078 Base-Backbone interact. energy: -0.279 local terms energy: -303.658622 where: bonds (distance) C4'-P energy: -65.554 bonds (distance) P-C4' energy: -59.431 flat angles C4'-P-C4' energy: -69.336 flat angles P-C4'-P energy: -30.533 tors. eta vs tors. theta energy: -78.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -994.754531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.754531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.754531 (E_RNA) where: Base-Base interactions energy: -685.167 where: short stacking energy: -300.133 Base-Backbone interact. energy: -0.768 local terms energy: -308.820363 where: bonds (distance) C4'-P energy: -57.248 bonds (distance) P-C4' energy: -59.957 flat angles C4'-P-C4' energy: -75.004 flat angles P-C4'-P energy: -40.702 tors. eta vs tors. theta energy: -75.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -946.268402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.268402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.268402 (E_RNA) where: Base-Base interactions energy: -645.573 where: short stacking energy: -292.016 Base-Backbone interact. energy: -0.563 local terms energy: -300.131815 where: bonds (distance) C4'-P energy: -55.522 bonds (distance) P-C4' energy: -60.787 flat angles C4'-P-C4' energy: -61.930 flat angles P-C4'-P energy: -40.882 tors. eta vs tors. theta energy: -81.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -910.076848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.076848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.076848 (E_RNA) where: Base-Base interactions energy: -638.514 where: short stacking energy: -274.961 Base-Backbone interact. energy: -2.201 local terms energy: -269.361748 where: bonds (distance) C4'-P energy: -57.027 bonds (distance) P-C4' energy: -45.670 flat angles C4'-P-C4' energy: -60.514 flat angles P-C4'-P energy: -39.647 tors. eta vs tors. theta energy: -66.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -872.311537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.311537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.311537 (E_RNA) where: Base-Base interactions energy: -593.635 where: short stacking energy: -252.101 Base-Backbone interact. energy: -0.788 local terms energy: -277.888355 where: bonds (distance) C4'-P energy: -45.661 bonds (distance) P-C4' energy: -70.613 flat angles C4'-P-C4' energy: -59.226 flat angles P-C4'-P energy: -40.478 tors. eta vs tors. theta energy: -61.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -736.888485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.888485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.888485 (E_RNA) where: Base-Base interactions energy: -472.511 where: short stacking energy: -224.458 Base-Backbone interact. energy: 0.454 local terms energy: -264.831135 where: bonds (distance) C4'-P energy: -53.886 bonds (distance) P-C4' energy: -63.645 flat angles C4'-P-C4' energy: -51.779 flat angles P-C4'-P energy: -37.955 tors. eta vs tors. theta energy: -57.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -542.948864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.948864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.948864 (E_RNA) where: Base-Base interactions energy: -324.643 where: short stacking energy: -177.707 Base-Backbone interact. energy: -1.146 local terms energy: -217.159443 where: bonds (distance) C4'-P energy: -52.750 bonds (distance) P-C4' energy: -60.653 flat angles C4'-P-C4' energy: -49.378 flat angles P-C4'-P energy: -25.891 tors. eta vs tors. theta energy: -28.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -323.249063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.249063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.249063 (E_RNA) where: Base-Base interactions energy: -143.180 where: short stacking energy: -72.915 Base-Backbone interact. energy: -2.275 local terms energy: -177.794054 where: bonds (distance) C4'-P energy: -56.315 bonds (distance) P-C4' energy: -60.544 flat angles C4'-P-C4' energy: -52.405 flat angles P-C4'-P energy: -10.318 tors. eta vs tors. theta energy: 1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -275.047907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.047907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.047907 (E_RNA) where: Base-Base interactions energy: -111.218 where: short stacking energy: -71.507 Base-Backbone interact. energy: 3.386 local terms energy: -167.215079 where: bonds (distance) C4'-P energy: -52.636 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -34.859 flat angles P-C4'-P energy: -33.381 tors. eta vs tors. theta energy: 13.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1065.650327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.650327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.650327 (E_RNA) where: Base-Base interactions energy: -719.192 where: short stacking energy: -312.475 Base-Backbone interact. energy: -2.173 local terms energy: -344.285126 where: bonds (distance) C4'-P energy: -64.193 bonds (distance) P-C4' energy: -67.791 flat angles C4'-P-C4' energy: -74.019 flat angles P-C4'-P energy: -43.968 tors. eta vs tors. theta energy: -94.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -991.196211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.196211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.196211 (E_RNA) where: Base-Base interactions energy: -664.395 where: short stacking energy: -303.152 Base-Backbone interact. energy: -1.074 local terms energy: -325.727265 where: bonds (distance) C4'-P energy: -55.742 bonds (distance) P-C4' energy: -70.372 flat angles C4'-P-C4' energy: -72.634 flat angles P-C4'-P energy: -45.163 tors. eta vs tors. theta energy: -81.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -975.735315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.735315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.735315 (E_RNA) where: Base-Base interactions energy: -664.927 where: short stacking energy: -283.119 Base-Backbone interact. energy: -1.623 local terms energy: -309.185375 where: bonds (distance) C4'-P energy: -64.223 bonds (distance) P-C4' energy: -57.324 flat angles C4'-P-C4' energy: -65.544 flat angles P-C4'-P energy: -46.409 tors. eta vs tors. theta energy: -75.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -967.266158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.266158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.266158 (E_RNA) where: Base-Base interactions energy: -671.138 where: short stacking energy: -294.188 Base-Backbone interact. energy: -1.839 local terms energy: -294.288771 where: bonds (distance) C4'-P energy: -63.432 bonds (distance) P-C4' energy: -58.030 flat angles C4'-P-C4' energy: -63.102 flat angles P-C4'-P energy: -33.668 tors. eta vs tors. theta energy: -76.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -952.532009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.532009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.532009 (E_RNA) where: Base-Base interactions energy: -657.710 where: short stacking energy: -273.614 Base-Backbone interact. energy: -1.466 local terms energy: -293.355782 where: bonds (distance) C4'-P energy: -64.920 bonds (distance) P-C4' energy: -57.626 flat angles C4'-P-C4' energy: -61.649 flat angles P-C4'-P energy: -38.321 tors. eta vs tors. theta energy: -70.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -897.539404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.539404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.539404 (E_RNA) where: Base-Base interactions energy: -595.531 where: short stacking energy: -255.724 Base-Backbone interact. energy: 1.779 local terms energy: -303.787416 where: bonds (distance) C4'-P energy: -53.839 bonds (distance) P-C4' energy: -58.530 flat angles C4'-P-C4' energy: -66.736 flat angles P-C4'-P energy: -51.181 tors. eta vs tors. theta energy: -73.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -727.989918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.989918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.989918 (E_RNA) where: Base-Base interactions energy: -472.161 where: short stacking energy: -211.954 Base-Backbone interact. energy: 2.314 local terms energy: -258.142925 where: bonds (distance) C4'-P energy: -56.712 bonds (distance) P-C4' energy: -54.517 flat angles C4'-P-C4' energy: -51.850 flat angles P-C4'-P energy: -45.797 tors. eta vs tors. theta energy: -49.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -536.796487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.796487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.796487 (E_RNA) where: Base-Base interactions energy: -313.710 where: short stacking energy: -157.284 Base-Backbone interact. energy: -1.039 local terms energy: -222.047963 where: bonds (distance) C4'-P energy: -53.466 bonds (distance) P-C4' energy: -55.759 flat angles C4'-P-C4' energy: -51.165 flat angles P-C4'-P energy: -34.928 tors. eta vs tors. theta energy: -26.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -363.396547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.396547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.396547 (E_RNA) where: Base-Base interactions energy: -175.167 where: short stacking energy: -103.839 Base-Backbone interact. energy: -0.249 local terms energy: -187.979924 where: bonds (distance) C4'-P energy: -47.055 bonds (distance) P-C4' energy: -56.487 flat angles C4'-P-C4' energy: -52.985 flat angles P-C4'-P energy: -24.737 tors. eta vs tors. theta energy: -6.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -256.152088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.152088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.152088 (E_RNA) where: Base-Base interactions energy: -78.905 where: short stacking energy: -73.805 Base-Backbone interact. energy: 1.285 local terms energy: -178.532696 where: bonds (distance) C4'-P energy: -49.197 bonds (distance) P-C4' energy: -62.287 flat angles C4'-P-C4' energy: -32.137 flat angles P-C4'-P energy: -31.323 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1045.442359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.442359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.442359 (E_RNA) where: Base-Base interactions energy: -693.037 where: short stacking energy: -311.011 Base-Backbone interact. energy: -3.525 local terms energy: -348.879864 where: bonds (distance) C4'-P energy: -69.246 bonds (distance) P-C4' energy: -65.480 flat angles C4'-P-C4' energy: -77.054 flat angles P-C4'-P energy: -52.324 tors. eta vs tors. theta energy: -84.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -997.001207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.001207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.001207 (E_RNA) where: Base-Base interactions energy: -657.052 where: short stacking energy: -293.520 Base-Backbone interact. energy: -1.196 local terms energy: -338.753671 where: bonds (distance) C4'-P energy: -66.701 bonds (distance) P-C4' energy: -63.706 flat angles C4'-P-C4' energy: -77.445 flat angles P-C4'-P energy: -44.734 tors. eta vs tors. theta energy: -86.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -958.879157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.879157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.879157 (E_RNA) where: Base-Base interactions energy: -664.881 where: short stacking energy: -286.104 Base-Backbone interact. energy: -1.267 local terms energy: -292.730645 where: bonds (distance) C4'-P energy: -55.236 bonds (distance) P-C4' energy: -48.807 flat angles C4'-P-C4' energy: -71.252 flat angles P-C4'-P energy: -43.640 tors. eta vs tors. theta energy: -73.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -940.612174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.612174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.612174 (E_RNA) where: Base-Base interactions energy: -633.688 where: short stacking energy: -266.596 Base-Backbone interact. energy: -0.216 local terms energy: -306.708267 where: bonds (distance) C4'-P energy: -57.091 bonds (distance) P-C4' energy: -57.493 flat angles C4'-P-C4' energy: -61.071 flat angles P-C4'-P energy: -47.919 tors. eta vs tors. theta energy: -83.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -998.024312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.024312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.024312 (E_RNA) where: Base-Base interactions energy: -689.143 where: short stacking energy: -286.940 Base-Backbone interact. energy: 0.110 local terms energy: -308.991289 where: bonds (distance) C4'-P energy: -63.161 bonds (distance) P-C4' energy: -57.837 flat angles C4'-P-C4' energy: -57.099 flat angles P-C4'-P energy: -42.309 tors. eta vs tors. theta energy: -88.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -893.824678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.824678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.824678 (E_RNA) where: Base-Base interactions energy: -616.163 where: short stacking energy: -267.588 Base-Backbone interact. energy: -1.591 local terms energy: -276.070796 where: bonds (distance) C4'-P energy: -43.011 bonds (distance) P-C4' energy: -54.482 flat angles C4'-P-C4' energy: -59.368 flat angles P-C4'-P energy: -49.552 tors. eta vs tors. theta energy: -69.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -711.027017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.027017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.027017 (E_RNA) where: Base-Base interactions energy: -445.700 where: short stacking energy: -205.591 Base-Backbone interact. energy: -2.006 local terms energy: -263.320870 where: bonds (distance) C4'-P energy: -60.610 bonds (distance) P-C4' energy: -51.889 flat angles C4'-P-C4' energy: -64.939 flat angles P-C4'-P energy: -40.667 tors. eta vs tors. theta energy: -45.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -517.424657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.424657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.424657 (E_RNA) where: Base-Base interactions energy: -304.225 where: short stacking energy: -165.947 Base-Backbone interact. energy: -1.126 local terms energy: -212.073547 where: bonds (distance) C4'-P energy: -54.802 bonds (distance) P-C4' energy: -49.509 flat angles C4'-P-C4' energy: -54.102 flat angles P-C4'-P energy: -22.832 tors. eta vs tors. theta energy: -30.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -332.226989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.226989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.226989 (E_RNA) where: Base-Base interactions energy: -160.192 where: short stacking energy: -117.091 Base-Backbone interact. energy: -0.152 local terms energy: -171.883414 where: bonds (distance) C4'-P energy: -42.363 bonds (distance) P-C4' energy: -62.983 flat angles C4'-P-C4' energy: -39.526 flat angles P-C4'-P energy: -23.432 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -274.495159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.495159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.495159 (E_RNA) where: Base-Base interactions energy: -103.472 where: short stacking energy: -89.413 Base-Backbone interact. energy: -0.767 local terms energy: -170.256263 where: bonds (distance) C4'-P energy: -52.021 bonds (distance) P-C4' energy: -38.974 flat angles C4'-P-C4' energy: -31.583 flat angles P-C4'-P energy: -32.844 tors. eta vs tors. theta energy: -14.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1043.617484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.617484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.617484 (E_RNA) where: Base-Base interactions energy: -710.792 where: short stacking energy: -308.128 Base-Backbone interact. energy: 0.996 local terms energy: -333.821344 where: bonds (distance) C4'-P energy: -61.925 bonds (distance) P-C4' energy: -64.956 flat angles C4'-P-C4' energy: -69.313 flat angles P-C4'-P energy: -52.638 tors. eta vs tors. theta energy: -84.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1019.963943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.963943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.963943 (E_RNA) where: Base-Base interactions energy: -702.727 where: short stacking energy: -282.098 Base-Backbone interact. energy: 5.433 local terms energy: -322.670262 where: bonds (distance) C4'-P energy: -57.222 bonds (distance) P-C4' energy: -67.906 flat angles C4'-P-C4' energy: -69.260 flat angles P-C4'-P energy: -46.861 tors. eta vs tors. theta energy: -81.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -940.932902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.932902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.932902 (E_RNA) where: Base-Base interactions energy: -636.302 where: short stacking energy: -279.200 Base-Backbone interact. energy: 0.028 local terms energy: -304.659418 where: bonds (distance) C4'-P energy: -60.706 bonds (distance) P-C4' energy: -52.731 flat angles C4'-P-C4' energy: -61.324 flat angles P-C4'-P energy: -43.058 tors. eta vs tors. theta energy: -86.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1015.842682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.842682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.842682 (E_RNA) where: Base-Base interactions energy: -714.895 where: short stacking energy: -286.979 Base-Backbone interact. energy: -0.145 local terms energy: -300.802900 where: bonds (distance) C4'-P energy: -53.727 bonds (distance) P-C4' energy: -61.871 flat angles C4'-P-C4' energy: -67.972 flat angles P-C4'-P energy: -43.273 tors. eta vs tors. theta energy: -73.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -931.724555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.724555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.724555 (E_RNA) where: Base-Base interactions energy: -639.892 where: short stacking energy: -269.283 Base-Backbone interact. energy: -0.846 local terms energy: -290.986390 where: bonds (distance) C4'-P energy: -55.755 bonds (distance) P-C4' energy: -48.125 flat angles C4'-P-C4' energy: -69.404 flat angles P-C4'-P energy: -36.653 tors. eta vs tors. theta energy: -81.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -903.396886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.396886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.396886 (E_RNA) where: Base-Base interactions energy: -633.176 where: short stacking energy: -262.884 Base-Backbone interact. energy: 0.311 local terms energy: -270.531595 where: bonds (distance) C4'-P energy: -47.251 bonds (distance) P-C4' energy: -61.093 flat angles C4'-P-C4' energy: -59.495 flat angles P-C4'-P energy: -39.903 tors. eta vs tors. theta energy: -62.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -697.666724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.666724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.666724 (E_RNA) where: Base-Base interactions energy: -442.497 where: short stacking energy: -206.165 Base-Backbone interact. energy: 5.264 local terms energy: -260.434422 where: bonds (distance) C4'-P energy: -60.825 bonds (distance) P-C4' energy: -52.413 flat angles C4'-P-C4' energy: -66.322 flat angles P-C4'-P energy: -35.537 tors. eta vs tors. theta energy: -45.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -547.183062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.183062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.183062 (E_RNA) where: Base-Base interactions energy: -331.789 where: short stacking energy: -155.927 Base-Backbone interact. energy: -0.974 local terms energy: -214.420269 where: bonds (distance) C4'-P energy: -46.252 bonds (distance) P-C4' energy: -61.719 flat angles C4'-P-C4' energy: -53.753 flat angles P-C4'-P energy: -36.936 tors. eta vs tors. theta energy: -15.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -310.555324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.555324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.555324 (E_RNA) where: Base-Base interactions energy: -134.400 where: short stacking energy: -80.116 Base-Backbone interact. energy: 0.720 local terms energy: -176.874801 where: bonds (distance) C4'-P energy: -59.156 bonds (distance) P-C4' energy: -57.205 flat angles C4'-P-C4' energy: -37.582 flat angles P-C4'-P energy: -24.757 tors. eta vs tors. theta energy: 1.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -256.686132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.686132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.686132 (E_RNA) where: Base-Base interactions energy: -108.791 where: short stacking energy: -89.889 Base-Backbone interact. energy: 2.155 local terms energy: -150.049896 where: bonds (distance) C4'-P energy: -52.599 bonds (distance) P-C4' energy: -48.992 flat angles C4'-P-C4' energy: -27.372 flat angles P-C4'-P energy: -26.320 tors. eta vs tors. theta energy: 5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1057.349117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.349117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.349117 (E_RNA) where: Base-Base interactions energy: -719.539 where: short stacking energy: -312.218 Base-Backbone interact. energy: -1.976 local terms energy: -335.834717 where: bonds (distance) C4'-P energy: -56.448 bonds (distance) P-C4' energy: -68.583 flat angles C4'-P-C4' energy: -75.460 flat angles P-C4'-P energy: -48.135 tors. eta vs tors. theta energy: -87.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1004.318335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.318335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.318335 (E_RNA) where: Base-Base interactions energy: -679.191 where: short stacking energy: -276.350 Base-Backbone interact. energy: 0.361 local terms energy: -325.488964 where: bonds (distance) C4'-P energy: -65.021 bonds (distance) P-C4' energy: -73.626 flat angles C4'-P-C4' energy: -67.141 flat angles P-C4'-P energy: -47.010 tors. eta vs tors. theta energy: -72.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1026.015115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.015115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.015115 (E_RNA) where: Base-Base interactions energy: -712.498 where: short stacking energy: -302.267 Base-Backbone interact. energy: -0.724 local terms energy: -312.793103 where: bonds (distance) C4'-P energy: -59.765 bonds (distance) P-C4' energy: -63.751 flat angles C4'-P-C4' energy: -65.700 flat angles P-C4'-P energy: -40.018 tors. eta vs tors. theta energy: -83.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -959.247510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.247510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.247510 (E_RNA) where: Base-Base interactions energy: -627.452 where: short stacking energy: -299.382 Base-Backbone interact. energy: -1.666 local terms energy: -330.129664 where: bonds (distance) C4'-P energy: -64.551 bonds (distance) P-C4' energy: -58.888 flat angles C4'-P-C4' energy: -71.282 flat angles P-C4'-P energy: -51.462 tors. eta vs tors. theta energy: -83.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -908.361622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.361622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.361622 (E_RNA) where: Base-Base interactions energy: -602.837 where: short stacking energy: -274.898 Base-Backbone interact. energy: -3.280 local terms energy: -302.244744 where: bonds (distance) C4'-P energy: -60.920 bonds (distance) P-C4' energy: -61.459 flat angles C4'-P-C4' energy: -61.858 flat angles P-C4'-P energy: -39.822 tors. eta vs tors. theta energy: -78.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -905.915367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.915367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.915367 (E_RNA) where: Base-Base interactions energy: -625.025 where: short stacking energy: -256.278 Base-Backbone interact. energy: 0.861 local terms energy: -281.750925 where: bonds (distance) C4'-P energy: -63.213 bonds (distance) P-C4' energy: -65.457 flat angles C4'-P-C4' energy: -57.533 flat angles P-C4'-P energy: -26.872 tors. eta vs tors. theta energy: -68.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -688.343018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.343018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.343018 (E_RNA) where: Base-Base interactions energy: -418.981 where: short stacking energy: -215.562 Base-Backbone interact. energy: -0.806 local terms energy: -268.555552 where: bonds (distance) C4'-P energy: -54.834 bonds (distance) P-C4' energy: -67.595 flat angles C4'-P-C4' energy: -63.717 flat angles P-C4'-P energy: -36.249 tors. eta vs tors. theta energy: -46.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -514.332045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.332045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.332045 (E_RNA) where: Base-Base interactions energy: -311.974 where: short stacking energy: -151.746 Base-Backbone interact. energy: -0.197 local terms energy: -202.160948 where: bonds (distance) C4'-P energy: -49.784 bonds (distance) P-C4' energy: -58.937 flat angles C4'-P-C4' energy: -53.281 flat angles P-C4'-P energy: -25.493 tors. eta vs tors. theta energy: -14.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -339.032371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.032371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.032371 (E_RNA) where: Base-Base interactions energy: -149.169 where: short stacking energy: -83.765 Base-Backbone interact. energy: 0.376 local terms energy: -190.239791 where: bonds (distance) C4'-P energy: -46.435 bonds (distance) P-C4' energy: -56.578 flat angles C4'-P-C4' energy: -58.821 flat angles P-C4'-P energy: -31.073 tors. eta vs tors. theta energy: 2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -252.298760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.298760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.298760 (E_RNA) where: Base-Base interactions energy: -82.093 where: short stacking energy: -79.179 Base-Backbone interact. energy: 2.944 local terms energy: -173.149616 where: bonds (distance) C4'-P energy: -54.713 bonds (distance) P-C4' energy: -62.578 flat angles C4'-P-C4' energy: -41.101 flat angles P-C4'-P energy: -18.550 tors. eta vs tors. theta energy: 3.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1042.015885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.015885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.015885 (E_RNA) where: Base-Base interactions energy: -709.904 where: short stacking energy: -316.191 Base-Backbone interact. energy: -3.303 local terms energy: -328.808401 where: bonds (distance) C4'-P energy: -68.989 bonds (distance) P-C4' energy: -61.267 flat angles C4'-P-C4' energy: -66.597 flat angles P-C4'-P energy: -44.903 tors. eta vs tors. theta energy: -87.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1080.833063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.833063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.833063 (E_RNA) where: Base-Base interactions energy: -743.754 where: short stacking energy: -319.196 Base-Backbone interact. energy: 0.527 local terms energy: -337.606300 where: bonds (distance) C4'-P energy: -60.958 bonds (distance) P-C4' energy: -70.114 flat angles C4'-P-C4' energy: -66.352 flat angles P-C4'-P energy: -46.500 tors. eta vs tors. theta energy: -93.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1008.126454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.126454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.126454 (E_RNA) where: Base-Base interactions energy: -688.142 where: short stacking energy: -273.561 Base-Backbone interact. energy: -1.941 local terms energy: -318.042826 where: bonds (distance) C4'-P energy: -68.375 bonds (distance) P-C4' energy: -58.687 flat angles C4'-P-C4' energy: -73.086 flat angles P-C4'-P energy: -47.601 tors. eta vs tors. theta energy: -70.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -953.304022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.304022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.304022 (E_RNA) where: Base-Base interactions energy: -649.085 where: short stacking energy: -285.112 Base-Backbone interact. energy: -0.126 local terms energy: -304.092924 where: bonds (distance) C4'-P energy: -53.094 bonds (distance) P-C4' energy: -66.190 flat angles C4'-P-C4' energy: -61.067 flat angles P-C4'-P energy: -40.597 tors. eta vs tors. theta energy: -83.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -907.637955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.637955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.637955 (E_RNA) where: Base-Base interactions energy: -629.008 where: short stacking energy: -256.235 Base-Backbone interact. energy: -0.083 local terms energy: -278.546789 where: bonds (distance) C4'-P energy: -53.029 bonds (distance) P-C4' energy: -61.604 flat angles C4'-P-C4' energy: -57.880 flat angles P-C4'-P energy: -31.570 tors. eta vs tors. theta energy: -74.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -883.051597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.051597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.051597 (E_RNA) where: Base-Base interactions energy: -606.550 where: short stacking energy: -268.954 Base-Backbone interact. energy: 0.807 local terms energy: -277.309028 where: bonds (distance) C4'-P energy: -53.684 bonds (distance) P-C4' energy: -57.912 flat angles C4'-P-C4' energy: -57.764 flat angles P-C4'-P energy: -41.400 tors. eta vs tors. theta energy: -66.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -680.532203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.532203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.532203 (E_RNA) where: Base-Base interactions energy: -440.446 where: short stacking energy: -233.863 Base-Backbone interact. energy: -1.251 local terms energy: -238.834678 where: bonds (distance) C4'-P energy: -47.099 bonds (distance) P-C4' energy: -47.067 flat angles C4'-P-C4' energy: -57.166 flat angles P-C4'-P energy: -26.339 tors. eta vs tors. theta energy: -61.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -501.089380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.089380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.089380 (E_RNA) where: Base-Base interactions energy: -296.426 where: short stacking energy: -159.845 Base-Backbone interact. energy: -1.753 local terms energy: -202.911189 where: bonds (distance) C4'-P energy: -57.711 bonds (distance) P-C4' energy: -43.151 flat angles C4'-P-C4' energy: -46.828 flat angles P-C4'-P energy: -31.116 tors. eta vs tors. theta energy: -24.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -322.670346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.670346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.670346 (E_RNA) where: Base-Base interactions energy: -139.229 where: short stacking energy: -105.909 Base-Backbone interact. energy: 0.519 local terms energy: -183.960122 where: bonds (distance) C4'-P energy: -49.169 bonds (distance) P-C4' energy: -55.620 flat angles C4'-P-C4' energy: -48.340 flat angles P-C4'-P energy: -30.790 tors. eta vs tors. theta energy: -0.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -255.234441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.234441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.234441 (E_RNA) where: Base-Base interactions energy: -82.188 where: short stacking energy: -74.637 Base-Backbone interact. energy: -1.037 local terms energy: -172.009739 where: bonds (distance) C4'-P energy: -43.163 bonds (distance) P-C4' energy: -52.018 flat angles C4'-P-C4' energy: -55.734 flat angles P-C4'-P energy: -26.497 tors. eta vs tors. theta energy: 5.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1093.705978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.705978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.705978 (E_RNA) where: Base-Base interactions energy: -750.876 where: short stacking energy: -326.457 Base-Backbone interact. energy: -0.876 local terms energy: -341.954508 where: bonds (distance) C4'-P energy: -69.559 bonds (distance) P-C4' energy: -63.003 flat angles C4'-P-C4' energy: -72.790 flat angles P-C4'-P energy: -41.918 tors. eta vs tors. theta energy: -94.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1008.258010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.258010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.258010 (E_RNA) where: Base-Base interactions energy: -676.008 where: short stacking energy: -307.960 Base-Backbone interact. energy: -1.481 local terms energy: -330.768377 where: bonds (distance) C4'-P energy: -64.396 bonds (distance) P-C4' energy: -62.378 flat angles C4'-P-C4' energy: -67.122 flat angles P-C4'-P energy: -47.611 tors. eta vs tors. theta energy: -89.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -990.436638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.436638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.436638 (E_RNA) where: Base-Base interactions energy: -702.825 where: short stacking energy: -270.803 Base-Backbone interact. energy: 2.155 local terms energy: -289.766422 where: bonds (distance) C4'-P energy: -51.876 bonds (distance) P-C4' energy: -65.210 flat angles C4'-P-C4' energy: -59.917 flat angles P-C4'-P energy: -49.051 tors. eta vs tors. theta energy: -63.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -920.605202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.605202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.605202 (E_RNA) where: Base-Base interactions energy: -634.975 where: short stacking energy: -265.171 Base-Backbone interact. energy: -2.908 local terms energy: -282.721369 where: bonds (distance) C4'-P energy: -49.641 bonds (distance) P-C4' energy: -53.540 flat angles C4'-P-C4' energy: -63.063 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -69.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -901.180095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.180095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.180095 (E_RNA) where: Base-Base interactions energy: -612.876 where: short stacking energy: -243.292 Base-Backbone interact. energy: -1.240 local terms energy: -287.064285 where: bonds (distance) C4'-P energy: -52.973 bonds (distance) P-C4' energy: -59.440 flat angles C4'-P-C4' energy: -70.202 flat angles P-C4'-P energy: -30.680 tors. eta vs tors. theta energy: -73.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -894.217196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.217196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.217196 (E_RNA) where: Base-Base interactions energy: -602.293 where: short stacking energy: -273.192 Base-Backbone interact. energy: 0.162 local terms energy: -292.086825 where: bonds (distance) C4'-P energy: -53.718 bonds (distance) P-C4' energy: -58.636 flat angles C4'-P-C4' energy: -60.584 flat angles P-C4'-P energy: -46.656 tors. eta vs tors. theta energy: -72.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -682.775070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.775070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.775070 (E_RNA) where: Base-Base interactions energy: -414.185 where: short stacking energy: -203.768 Base-Backbone interact. energy: -1.105 local terms energy: -267.485004 where: bonds (distance) C4'-P energy: -59.625 bonds (distance) P-C4' energy: -54.127 flat angles C4'-P-C4' energy: -62.934 flat angles P-C4'-P energy: -38.305 tors. eta vs tors. theta energy: -52.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -540.885848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.885848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.885848 (E_RNA) where: Base-Base interactions energy: -294.116 where: short stacking energy: -147.616 Base-Backbone interact. energy: -1.131 local terms energy: -245.638852 where: bonds (distance) C4'-P energy: -65.509 bonds (distance) P-C4' energy: -64.787 flat angles C4'-P-C4' energy: -62.687 flat angles P-C4'-P energy: -32.861 tors. eta vs tors. theta energy: -19.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -369.719930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.719930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.719930 (E_RNA) where: Base-Base interactions energy: -178.056 where: short stacking energy: -118.500 Base-Backbone interact. energy: -1.131 local terms energy: -190.532704 where: bonds (distance) C4'-P energy: -40.728 bonds (distance) P-C4' energy: -63.146 flat angles C4'-P-C4' energy: -61.352 flat angles P-C4'-P energy: -21.679 tors. eta vs tors. theta energy: -3.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -299.774432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.774432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.774432 (E_RNA) where: Base-Base interactions energy: -117.605 where: short stacking energy: -92.878 Base-Backbone interact. energy: 1.513 local terms energy: -183.682191 where: bonds (distance) C4'-P energy: -55.353 bonds (distance) P-C4' energy: -51.533 flat angles C4'-P-C4' energy: -38.249 flat angles P-C4'-P energy: -34.958 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1075.972863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.972863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.972863 (E_RNA) where: Base-Base interactions energy: -738.458 where: short stacking energy: -314.817 Base-Backbone interact. energy: -0.655 local terms energy: -336.859872 where: bonds (distance) C4'-P energy: -63.702 bonds (distance) P-C4' energy: -63.408 flat angles C4'-P-C4' energy: -77.631 flat angles P-C4'-P energy: -44.994 tors. eta vs tors. theta energy: -87.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1018.777216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.777216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.777216 (E_RNA) where: Base-Base interactions energy: -686.008 where: short stacking energy: -298.004 Base-Backbone interact. energy: -1.163 local terms energy: -331.605628 where: bonds (distance) C4'-P energy: -59.540 bonds (distance) P-C4' energy: -63.157 flat angles C4'-P-C4' energy: -70.468 flat angles P-C4'-P energy: -52.804 tors. eta vs tors. theta energy: -85.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -981.046423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.046423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.046423 (E_RNA) where: Base-Base interactions energy: -665.904 where: short stacking energy: -287.651 Base-Backbone interact. energy: -1.202 local terms energy: -313.939789 where: bonds (distance) C4'-P energy: -55.297 bonds (distance) P-C4' energy: -61.110 flat angles C4'-P-C4' energy: -69.874 flat angles P-C4'-P energy: -48.772 tors. eta vs tors. theta energy: -78.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -942.305908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.305908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.305908 (E_RNA) where: Base-Base interactions energy: -644.644 where: short stacking energy: -282.632 Base-Backbone interact. energy: -1.200 local terms energy: -296.461715 where: bonds (distance) C4'-P energy: -48.945 bonds (distance) P-C4' energy: -63.384 flat angles C4'-P-C4' energy: -66.171 flat angles P-C4'-P energy: -42.504 tors. eta vs tors. theta energy: -75.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -900.992587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.992587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.992587 (E_RNA) where: Base-Base interactions energy: -619.727 where: short stacking energy: -250.652 Base-Backbone interact. energy: -2.041 local terms energy: -279.224568 where: bonds (distance) C4'-P energy: -49.740 bonds (distance) P-C4' energy: -64.652 flat angles C4'-P-C4' energy: -64.474 flat angles P-C4'-P energy: -35.743 tors. eta vs tors. theta energy: -64.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -886.738707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.738707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.738707 (E_RNA) where: Base-Base interactions energy: -602.965 where: short stacking energy: -251.026 Base-Backbone interact. energy: -0.399 local terms energy: -283.374227 where: bonds (distance) C4'-P energy: -61.036 bonds (distance) P-C4' energy: -52.624 flat angles C4'-P-C4' energy: -60.493 flat angles P-C4'-P energy: -35.538 tors. eta vs tors. theta energy: -73.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -690.729259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.729259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.729259 (E_RNA) where: Base-Base interactions energy: -431.908 where: short stacking energy: -211.331 Base-Backbone interact. energy: -0.463 local terms energy: -258.358415 where: bonds (distance) C4'-P energy: -55.318 bonds (distance) P-C4' energy: -58.962 flat angles C4'-P-C4' energy: -62.630 flat angles P-C4'-P energy: -33.698 tors. eta vs tors. theta energy: -47.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -512.033245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.033245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.033245 (E_RNA) where: Base-Base interactions energy: -295.659 where: short stacking energy: -146.679 Base-Backbone interact. energy: 0.757 local terms energy: -217.131511 where: bonds (distance) C4'-P energy: -45.076 bonds (distance) P-C4' energy: -57.838 flat angles C4'-P-C4' energy: -41.536 flat angles P-C4'-P energy: -39.202 tors. eta vs tors. theta energy: -33.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -352.228030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.228030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.228030 (E_RNA) where: Base-Base interactions energy: -161.828 where: short stacking energy: -104.499 Base-Backbone interact. energy: 1.457 local terms energy: -191.857267 where: bonds (distance) C4'-P energy: -53.161 bonds (distance) P-C4' energy: -65.075 flat angles C4'-P-C4' energy: -48.982 flat angles P-C4'-P energy: -16.800 tors. eta vs tors. theta energy: -7.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -269.914124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.914124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.914124 (E_RNA) where: Base-Base interactions energy: -86.252 where: short stacking energy: -80.876 Base-Backbone interact. energy: -1.469 local terms energy: -182.193589 where: bonds (distance) C4'-P energy: -48.197 bonds (distance) P-C4' energy: -67.313 flat angles C4'-P-C4' energy: -38.889 flat angles P-C4'-P energy: -26.646 tors. eta vs tors. theta energy: -1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1078.852092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.852092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.852092 (E_RNA) where: Base-Base interactions energy: -738.218 where: short stacking energy: -322.666 Base-Backbone interact. energy: -1.563 local terms energy: -339.070544 where: bonds (distance) C4'-P energy: -68.047 bonds (distance) P-C4' energy: -63.824 flat angles C4'-P-C4' energy: -67.346 flat angles P-C4'-P energy: -48.484 tors. eta vs tors. theta energy: -91.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1011.723869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.723869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.723869 (E_RNA) where: Base-Base interactions energy: -665.836 where: short stacking energy: -305.191 Base-Backbone interact. energy: -1.036 local terms energy: -344.851653 where: bonds (distance) C4'-P energy: -67.442 bonds (distance) P-C4' energy: -69.453 flat angles C4'-P-C4' energy: -70.324 flat angles P-C4'-P energy: -55.439 tors. eta vs tors. theta energy: -82.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -991.765043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.765043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.765043 (E_RNA) where: Base-Base interactions energy: -689.356 where: short stacking energy: -310.951 Base-Backbone interact. energy: -2.628 local terms energy: -299.781162 where: bonds (distance) C4'-P energy: -56.031 bonds (distance) P-C4' energy: -58.254 flat angles C4'-P-C4' energy: -62.762 flat angles P-C4'-P energy: -32.114 tors. eta vs tors. theta energy: -90.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -923.393197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.393197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.393197 (E_RNA) where: Base-Base interactions energy: -639.399 where: short stacking energy: -254.997 Base-Backbone interact. energy: -1.115 local terms energy: -282.879369 where: bonds (distance) C4'-P energy: -53.848 bonds (distance) P-C4' energy: -55.429 flat angles C4'-P-C4' energy: -63.463 flat angles P-C4'-P energy: -40.855 tors. eta vs tors. theta energy: -69.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -894.914806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.914806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.914806 (E_RNA) where: Base-Base interactions energy: -611.292 where: short stacking energy: -268.117 Base-Backbone interact. energy: -1.663 local terms energy: -281.960096 where: bonds (distance) C4'-P energy: -41.805 bonds (distance) P-C4' energy: -62.092 flat angles C4'-P-C4' energy: -55.366 flat angles P-C4'-P energy: -41.036 tors. eta vs tors. theta energy: -81.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -843.767008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.767008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.767008 (E_RNA) where: Base-Base interactions energy: -560.691 where: short stacking energy: -249.180 Base-Backbone interact. energy: -2.610 local terms energy: -280.465834 where: bonds (distance) C4'-P energy: -55.278 bonds (distance) P-C4' energy: -66.455 flat angles C4'-P-C4' energy: -59.721 flat angles P-C4'-P energy: -36.126 tors. eta vs tors. theta energy: -62.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -704.385595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.385595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.385595 (E_RNA) where: Base-Base interactions energy: -449.922 where: short stacking energy: -223.911 Base-Backbone interact. energy: -0.106 local terms energy: -254.358477 where: bonds (distance) C4'-P energy: -51.223 bonds (distance) P-C4' energy: -49.215 flat angles C4'-P-C4' energy: -55.810 flat angles P-C4'-P energy: -43.800 tors. eta vs tors. theta energy: -54.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -505.626802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.626802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.626802 (E_RNA) where: Base-Base interactions energy: -280.604 where: short stacking energy: -145.697 Base-Backbone interact. energy: -1.228 local terms energy: -223.794334 where: bonds (distance) C4'-P energy: -47.692 bonds (distance) P-C4' energy: -55.292 flat angles C4'-P-C4' energy: -52.366 flat angles P-C4'-P energy: -31.010 tors. eta vs tors. theta energy: -37.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -315.391100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.391100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.391100 (E_RNA) where: Base-Base interactions energy: -117.504 where: short stacking energy: -111.619 Base-Backbone interact. energy: -0.951 local terms energy: -196.935990 where: bonds (distance) C4'-P energy: -60.728 bonds (distance) P-C4' energy: -58.713 flat angles C4'-P-C4' energy: -46.449 flat angles P-C4'-P energy: -27.778 tors. eta vs tors. theta energy: -3.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -272.770429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.770429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.770429 (E_RNA) where: Base-Base interactions energy: -99.518 where: short stacking energy: -89.343 Base-Backbone interact. energy: -0.342 local terms energy: -172.910968 where: bonds (distance) C4'-P energy: -51.148 bonds (distance) P-C4' energy: -56.745 flat angles C4'-P-C4' energy: -47.581 flat angles P-C4'-P energy: -19.687 tors. eta vs tors. theta energy: 2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1085.177858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.177858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.177858 (E_RNA) where: Base-Base interactions energy: -740.558 where: short stacking energy: -317.757 Base-Backbone interact. energy: -0.623 local terms energy: -343.997219 where: bonds (distance) C4'-P energy: -65.238 bonds (distance) P-C4' energy: -63.586 flat angles C4'-P-C4' energy: -68.943 flat angles P-C4'-P energy: -49.515 tors. eta vs tors. theta energy: -96.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1007.838998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.838998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.838998 (E_RNA) where: Base-Base interactions energy: -684.342 where: short stacking energy: -294.331 Base-Backbone interact. energy: -2.558 local terms energy: -320.938678 where: bonds (distance) C4'-P energy: -59.449 bonds (distance) P-C4' energy: -59.529 flat angles C4'-P-C4' energy: -74.065 flat angles P-C4'-P energy: -43.399 tors. eta vs tors. theta energy: -84.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -988.556228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.556228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.556228 (E_RNA) where: Base-Base interactions energy: -664.526 where: short stacking energy: -296.671 Base-Backbone interact. energy: -1.876 local terms energy: -322.153422 where: bonds (distance) C4'-P energy: -57.877 bonds (distance) P-C4' energy: -60.700 flat angles C4'-P-C4' energy: -68.090 flat angles P-C4'-P energy: -47.705 tors. eta vs tors. theta energy: -87.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -943.800763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.800763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.800763 (E_RNA) where: Base-Base interactions energy: -626.672 where: short stacking energy: -305.497 Base-Backbone interact. energy: -0.730 local terms energy: -316.398424 where: bonds (distance) C4'-P energy: -56.565 bonds (distance) P-C4' energy: -63.901 flat angles C4'-P-C4' energy: -66.296 flat angles P-C4'-P energy: -43.306 tors. eta vs tors. theta energy: -86.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -921.397098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.397098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.397098 (E_RNA) where: Base-Base interactions energy: -642.331 where: short stacking energy: -250.286 Base-Backbone interact. energy: -0.202 local terms energy: -278.863679 where: bonds (distance) C4'-P energy: -46.754 bonds (distance) P-C4' energy: -56.929 flat angles C4'-P-C4' energy: -64.484 flat angles P-C4'-P energy: -39.432 tors. eta vs tors. theta energy: -71.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -738.207864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.207864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.207864 (E_RNA) where: Base-Base interactions energy: -457.743 where: short stacking energy: -211.705 Base-Backbone interact. energy: -0.023 local terms energy: -280.441614 where: bonds (distance) C4'-P energy: -59.598 bonds (distance) P-C4' energy: -57.302 flat angles C4'-P-C4' energy: -67.847 flat angles P-C4'-P energy: -48.412 tors. eta vs tors. theta energy: -47.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -809.171326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.171326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.171326 (E_RNA) where: Base-Base interactions energy: -524.717 where: short stacking energy: -217.364 Base-Backbone interact. energy: -0.630 local terms energy: -283.824491 where: bonds (distance) C4'-P energy: -58.615 bonds (distance) P-C4' energy: -56.564 flat angles C4'-P-C4' energy: -63.663 flat angles P-C4'-P energy: -40.398 tors. eta vs tors. theta energy: -64.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -558.119413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.119413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.119413 (E_RNA) where: Base-Base interactions energy: -320.279 where: short stacking energy: -152.271 Base-Backbone interact. energy: -1.224 local terms energy: -236.616597 where: bonds (distance) C4'-P energy: -62.175 bonds (distance) P-C4' energy: -55.303 flat angles C4'-P-C4' energy: -46.684 flat angles P-C4'-P energy: -44.933 tors. eta vs tors. theta energy: -27.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -283.020130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.020130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.020130 (E_RNA) where: Base-Base interactions energy: -97.921 where: short stacking energy: -66.444 Base-Backbone interact. energy: -1.023 local terms energy: -184.076130 where: bonds (distance) C4'-P energy: -50.776 bonds (distance) P-C4' energy: -53.700 flat angles C4'-P-C4' energy: -52.885 flat angles P-C4'-P energy: -27.904 tors. eta vs tors. theta energy: 1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -268.893031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.893031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.893031 (E_RNA) where: Base-Base interactions energy: -88.444 where: short stacking energy: -77.637 Base-Backbone interact. energy: -0.030 local terms energy: -180.419313 where: bonds (distance) C4'-P energy: -59.575 bonds (distance) P-C4' energy: -67.139 flat angles C4'-P-C4' energy: -41.667 flat angles P-C4'-P energy: -22.242 tors. eta vs tors. theta energy: 10.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1094.767387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.767387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.767387 (E_RNA) where: Base-Base interactions energy: -755.566 where: short stacking energy: -319.629 Base-Backbone interact. energy: -0.265 local terms energy: -338.935757 where: bonds (distance) C4'-P energy: -66.930 bonds (distance) P-C4' energy: -60.837 flat angles C4'-P-C4' energy: -69.324 flat angles P-C4'-P energy: -51.825 tors. eta vs tors. theta energy: -90.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -990.800778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.800778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.800778 (E_RNA) where: Base-Base interactions energy: -681.512 where: short stacking energy: -288.168 Base-Backbone interact. energy: -2.041 local terms energy: -307.247651 where: bonds (distance) C4'-P energy: -56.587 bonds (distance) P-C4' energy: -61.566 flat angles C4'-P-C4' energy: -65.688 flat angles P-C4'-P energy: -46.578 tors. eta vs tors. theta energy: -76.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -999.311710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.311710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.311710 (E_RNA) where: Base-Base interactions energy: -679.473 where: short stacking energy: -298.244 Base-Backbone interact. energy: -0.554 local terms energy: -319.284256 where: bonds (distance) C4'-P energy: -54.974 bonds (distance) P-C4' energy: -64.150 flat angles C4'-P-C4' energy: -69.592 flat angles P-C4'-P energy: -41.761 tors. eta vs tors. theta energy: -88.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -917.098858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.098858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.098858 (E_RNA) where: Base-Base interactions energy: -618.798 where: short stacking energy: -293.875 Base-Backbone interact. energy: -1.269 local terms energy: -297.031035 where: bonds (distance) C4'-P energy: -62.413 bonds (distance) P-C4' energy: -59.685 flat angles C4'-P-C4' energy: -61.534 flat angles P-C4'-P energy: -33.546 tors. eta vs tors. theta energy: -79.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -918.394794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.394794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.394794 (E_RNA) where: Base-Base interactions energy: -622.568 where: short stacking energy: -251.461 Base-Backbone interact. energy: -0.602 local terms energy: -295.225031 where: bonds (distance) C4'-P energy: -62.673 bonds (distance) P-C4' energy: -61.602 flat angles C4'-P-C4' energy: -62.870 flat angles P-C4'-P energy: -35.913 tors. eta vs tors. theta energy: -72.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -729.157944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.157944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.157944 (E_RNA) where: Base-Base interactions energy: -467.346 where: short stacking energy: -222.913 Base-Backbone interact. energy: 0.402 local terms energy: -262.213801 where: bonds (distance) C4'-P energy: -51.673 bonds (distance) P-C4' energy: -52.688 flat angles C4'-P-C4' energy: -56.156 flat angles P-C4'-P energy: -40.198 tors. eta vs tors. theta energy: -61.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -805.401649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.401649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.401649 (E_RNA) where: Base-Base interactions energy: -542.801 where: short stacking energy: -223.486 Base-Backbone interact. energy: 1.331 local terms energy: -263.931257 where: bonds (distance) C4'-P energy: -62.474 bonds (distance) P-C4' energy: -45.091 flat angles C4'-P-C4' energy: -63.139 flat angles P-C4'-P energy: -30.618 tors. eta vs tors. theta energy: -62.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -597.029171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.029171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.029171 (E_RNA) where: Base-Base interactions energy: -348.488 where: short stacking energy: -183.621 Base-Backbone interact. energy: -0.446 local terms energy: -248.095545 where: bonds (distance) C4'-P energy: -52.022 bonds (distance) P-C4' energy: -66.597 flat angles C4'-P-C4' energy: -51.271 flat angles P-C4'-P energy: -28.920 tors. eta vs tors. theta energy: -49.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -291.867514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.867514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.867514 (E_RNA) where: Base-Base interactions energy: -106.425 where: short stacking energy: -84.899 Base-Backbone interact. energy: -2.160 local terms energy: -183.282473 where: bonds (distance) C4'-P energy: -46.257 bonds (distance) P-C4' energy: -51.127 flat angles C4'-P-C4' energy: -59.553 flat angles P-C4'-P energy: -26.845 tors. eta vs tors. theta energy: 0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -265.994944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.994944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.994944 (E_RNA) where: Base-Base interactions energy: -99.254 where: short stacking energy: -93.388 Base-Backbone interact. energy: -0.727 local terms energy: -166.014223 where: bonds (distance) C4'-P energy: -56.807 bonds (distance) P-C4' energy: -33.426 flat angles C4'-P-C4' energy: -52.017 flat angles P-C4'-P energy: -24.411 tors. eta vs tors. theta energy: 0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1094.381715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.381715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.381715 (E_RNA) where: Base-Base interactions energy: -763.906 where: short stacking energy: -324.083 Base-Backbone interact. energy: -1.995 local terms energy: -328.481284 where: bonds (distance) C4'-P energy: -48.250 bonds (distance) P-C4' energy: -68.727 flat angles C4'-P-C4' energy: -69.023 flat angles P-C4'-P energy: -52.764 tors. eta vs tors. theta energy: -89.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -996.257158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.257158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.257158 (E_RNA) where: Base-Base interactions energy: -683.379 where: short stacking energy: -287.321 Base-Backbone interact. energy: -0.045 local terms energy: -312.832870 where: bonds (distance) C4'-P energy: -57.593 bonds (distance) P-C4' energy: -56.186 flat angles C4'-P-C4' energy: -75.898 flat angles P-C4'-P energy: -48.509 tors. eta vs tors. theta energy: -74.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1001.112703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.112703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.112703 (E_RNA) where: Base-Base interactions energy: -690.472 where: short stacking energy: -308.861 Base-Backbone interact. energy: -0.602 local terms energy: -310.038308 where: bonds (distance) C4'-P energy: -60.303 bonds (distance) P-C4' energy: -58.282 flat angles C4'-P-C4' energy: -59.952 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: -86.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -950.416359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.416359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.416359 (E_RNA) where: Base-Base interactions energy: -651.673 where: short stacking energy: -273.440 Base-Backbone interact. energy: -1.365 local terms energy: -297.378277 where: bonds (distance) C4'-P energy: -63.051 bonds (distance) P-C4' energy: -50.111 flat angles C4'-P-C4' energy: -72.686 flat angles P-C4'-P energy: -37.025 tors. eta vs tors. theta energy: -74.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -952.498856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.498856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.498856 (E_RNA) where: Base-Base interactions energy: -643.599 where: short stacking energy: -293.419 Base-Backbone interact. energy: 0.012 local terms energy: -308.911707 where: bonds (distance) C4'-P energy: -52.475 bonds (distance) P-C4' energy: -64.264 flat angles C4'-P-C4' energy: -63.851 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -84.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -827.280151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.280151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.280151 (E_RNA) where: Base-Base interactions energy: -547.990 where: short stacking energy: -238.046 Base-Backbone interact. energy: 0.071 local terms energy: -279.360355 where: bonds (distance) C4'-P energy: -62.348 bonds (distance) P-C4' energy: -54.910 flat angles C4'-P-C4' energy: -64.597 flat angles P-C4'-P energy: -33.392 tors. eta vs tors. theta energy: -64.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -702.457259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.457259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.457259 (E_RNA) where: Base-Base interactions energy: -450.354 where: short stacking energy: -222.200 Base-Backbone interact. energy: -0.908 local terms energy: -251.195528 where: bonds (distance) C4'-P energy: -38.957 bonds (distance) P-C4' energy: -55.233 flat angles C4'-P-C4' energy: -61.967 flat angles P-C4'-P energy: -42.087 tors. eta vs tors. theta energy: -52.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -536.074676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.074676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.074676 (E_RNA) where: Base-Base interactions energy: -309.518 where: short stacking energy: -174.210 Base-Backbone interact. energy: -1.709 local terms energy: -224.848415 where: bonds (distance) C4'-P energy: -44.307 bonds (distance) P-C4' energy: -60.722 flat angles C4'-P-C4' energy: -45.620 flat angles P-C4'-P energy: -42.000 tors. eta vs tors. theta energy: -32.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -292.545852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.545852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.545852 (E_RNA) where: Base-Base interactions energy: -112.716 where: short stacking energy: -100.595 Base-Backbone interact. energy: 6.420 local terms energy: -186.250121 where: bonds (distance) C4'-P energy: -45.746 bonds (distance) P-C4' energy: -62.054 flat angles C4'-P-C4' energy: -47.548 flat angles P-C4'-P energy: -32.073 tors. eta vs tors. theta energy: 1.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -258.592249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.592249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.592249 (E_RNA) where: Base-Base interactions energy: -79.757 where: short stacking energy: -58.353 Base-Backbone interact. energy: -2.800 local terms energy: -176.035060 where: bonds (distance) C4'-P energy: -46.823 bonds (distance) P-C4' energy: -54.909 flat angles C4'-P-C4' energy: -48.914 flat angles P-C4'-P energy: -31.495 tors. eta vs tors. theta energy: 6.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1087.990946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.990946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.990946 (E_RNA) where: Base-Base interactions energy: -753.062 where: short stacking energy: -330.820 Base-Backbone interact. energy: -2.885 local terms energy: -332.043633 where: bonds (distance) C4'-P energy: -59.174 bonds (distance) P-C4' energy: -59.542 flat angles C4'-P-C4' energy: -66.781 flat angles P-C4'-P energy: -56.198 tors. eta vs tors. theta energy: -90.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -995.834053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.834053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.834053 (E_RNA) where: Base-Base interactions energy: -658.693 where: short stacking energy: -271.893 Base-Backbone interact. energy: -2.063 local terms energy: -335.077860 where: bonds (distance) C4'-P energy: -61.375 bonds (distance) P-C4' energy: -59.267 flat angles C4'-P-C4' energy: -75.552 flat angles P-C4'-P energy: -57.189 tors. eta vs tors. theta energy: -81.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -981.807183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.807183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.807183 (E_RNA) where: Base-Base interactions energy: -659.143 where: short stacking energy: -283.294 Base-Backbone interact. energy: -1.322 local terms energy: -321.341637 where: bonds (distance) C4'-P energy: -69.790 bonds (distance) P-C4' energy: -56.487 flat angles C4'-P-C4' energy: -71.539 flat angles P-C4'-P energy: -46.093 tors. eta vs tors. theta energy: -77.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -976.583420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.583420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.583420 (E_RNA) where: Base-Base interactions energy: -675.973 where: short stacking energy: -244.038 Base-Backbone interact. energy: -1.740 local terms energy: -298.869863 where: bonds (distance) C4'-P energy: -56.758 bonds (distance) P-C4' energy: -64.232 flat angles C4'-P-C4' energy: -70.283 flat angles P-C4'-P energy: -35.719 tors. eta vs tors. theta energy: -71.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -948.532495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.532495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.532495 (E_RNA) where: Base-Base interactions energy: -632.698 where: short stacking energy: -277.474 Base-Backbone interact. energy: -1.139 local terms energy: -314.695643 where: bonds (distance) C4'-P energy: -56.281 bonds (distance) P-C4' energy: -62.146 flat angles C4'-P-C4' energy: -65.232 flat angles P-C4'-P energy: -48.624 tors. eta vs tors. theta energy: -82.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -828.391429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.391429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.391429 (E_RNA) where: Base-Base interactions energy: -556.261 where: short stacking energy: -224.555 Base-Backbone interact. energy: 1.826 local terms energy: -273.955658 where: bonds (distance) C4'-P energy: -55.955 bonds (distance) P-C4' energy: -64.612 flat angles C4'-P-C4' energy: -57.428 flat angles P-C4'-P energy: -35.693 tors. eta vs tors. theta energy: -60.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -685.895140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.895140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.895140 (E_RNA) where: Base-Base interactions energy: -430.438 where: short stacking energy: -203.355 Base-Backbone interact. energy: 0.925 local terms energy: -256.381428 where: bonds (distance) C4'-P energy: -52.621 bonds (distance) P-C4' energy: -53.538 flat angles C4'-P-C4' energy: -62.177 flat angles P-C4'-P energy: -40.165 tors. eta vs tors. theta energy: -47.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -523.498020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.498020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.498020 (E_RNA) where: Base-Base interactions energy: -299.465 where: short stacking energy: -162.686 Base-Backbone interact. energy: -0.562 local terms energy: -223.470362 where: bonds (distance) C4'-P energy: -55.411 bonds (distance) P-C4' energy: -63.638 flat angles C4'-P-C4' energy: -46.896 flat angles P-C4'-P energy: -28.921 tors. eta vs tors. theta energy: -28.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -303.986855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.986855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.986855 (E_RNA) where: Base-Base interactions energy: -107.775 where: short stacking energy: -91.777 Base-Backbone interact. energy: 1.060 local terms energy: -197.271486 where: bonds (distance) C4'-P energy: -57.567 bonds (distance) P-C4' energy: -53.019 flat angles C4'-P-C4' energy: -48.629 flat angles P-C4'-P energy: -38.113 tors. eta vs tors. theta energy: 0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -272.490629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.490629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.490629 (E_RNA) where: Base-Base interactions energy: -113.209 where: short stacking energy: -82.163 Base-Backbone interact. energy: -0.533 local terms energy: -158.748312 where: bonds (distance) C4'-P energy: -46.711 bonds (distance) P-C4' energy: -45.970 flat angles C4'-P-C4' energy: -30.074 flat angles P-C4'-P energy: -44.141 tors. eta vs tors. theta energy: 8.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1096.687337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.687337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.687337 (E_RNA) where: Base-Base interactions energy: -743.991 where: short stacking energy: -317.231 Base-Backbone interact. energy: -1.592 local terms energy: -351.104265 where: bonds (distance) C4'-P energy: -67.086 bonds (distance) P-C4' energy: -67.148 flat angles C4'-P-C4' energy: -72.146 flat angles P-C4'-P energy: -57.146 tors. eta vs tors. theta energy: -87.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -997.123054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.123054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.123054 (E_RNA) where: Base-Base interactions energy: -667.477 where: short stacking energy: -278.300 Base-Backbone interact. energy: -0.394 local terms energy: -329.251805 where: bonds (distance) C4'-P energy: -64.879 bonds (distance) P-C4' energy: -58.713 flat angles C4'-P-C4' energy: -79.325 flat angles P-C4'-P energy: -46.795 tors. eta vs tors. theta energy: -79.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -981.260133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.260133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.260133 (E_RNA) where: Base-Base interactions energy: -657.599 where: short stacking energy: -288.883 Base-Backbone interact. energy: -0.880 local terms energy: -322.781732 where: bonds (distance) C4'-P energy: -60.984 bonds (distance) P-C4' energy: -66.451 flat angles C4'-P-C4' energy: -69.919 flat angles P-C4'-P energy: -41.982 tors. eta vs tors. theta energy: -83.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -949.061886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.061886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.061886 (E_RNA) where: Base-Base interactions energy: -623.010 where: short stacking energy: -289.133 Base-Backbone interact. energy: -1.938 local terms energy: -324.113460 where: bonds (distance) C4'-P energy: -65.635 bonds (distance) P-C4' energy: -71.408 flat angles C4'-P-C4' energy: -55.711 flat angles P-C4'-P energy: -47.961 tors. eta vs tors. theta energy: -83.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -980.723029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.723029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.723029 (E_RNA) where: Base-Base interactions energy: -676.307 where: short stacking energy: -296.594 Base-Backbone interact. energy: -1.492 local terms energy: -302.924179 where: bonds (distance) C4'-P energy: -58.352 bonds (distance) P-C4' energy: -58.616 flat angles C4'-P-C4' energy: -68.513 flat angles P-C4'-P energy: -32.784 tors. eta vs tors. theta energy: -84.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -855.688300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.688300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.688300 (E_RNA) where: Base-Base interactions energy: -564.302 where: short stacking energy: -245.725 Base-Backbone interact. energy: -1.797 local terms energy: -289.588644 where: bonds (distance) C4'-P energy: -59.779 bonds (distance) P-C4' energy: -59.693 flat angles C4'-P-C4' energy: -68.227 flat angles P-C4'-P energy: -35.086 tors. eta vs tors. theta energy: -66.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -703.834981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.834981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.834981 (E_RNA) where: Base-Base interactions energy: -448.759 where: short stacking energy: -220.502 Base-Backbone interact. energy: -1.369 local terms energy: -253.706870 where: bonds (distance) C4'-P energy: -47.914 bonds (distance) P-C4' energy: -58.236 flat angles C4'-P-C4' energy: -64.495 flat angles P-C4'-P energy: -37.477 tors. eta vs tors. theta energy: -45.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -514.536565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.536565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.536565 (E_RNA) where: Base-Base interactions energy: -303.991 where: short stacking energy: -147.270 Base-Backbone interact. energy: 0.248 local terms energy: -210.793639 where: bonds (distance) C4'-P energy: -48.172 bonds (distance) P-C4' energy: -53.842 flat angles C4'-P-C4' energy: -40.372 flat angles P-C4'-P energy: -44.085 tors. eta vs tors. theta energy: -24.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -283.459220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.459220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.459220 (E_RNA) where: Base-Base interactions energy: -102.711 where: short stacking energy: -76.959 Base-Backbone interact. energy: 0.600 local terms energy: -181.348722 where: bonds (distance) C4'-P energy: -49.408 bonds (distance) P-C4' energy: -56.377 flat angles C4'-P-C4' energy: -59.045 flat angles P-C4'-P energy: -29.030 tors. eta vs tors. theta energy: 12.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -266.997103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.997103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.997103 (E_RNA) where: Base-Base interactions energy: -98.053 where: short stacking energy: -86.123 Base-Backbone interact. energy: -1.204 local terms energy: -167.739677 where: bonds (distance) C4'-P energy: -50.637 bonds (distance) P-C4' energy: -58.625 flat angles C4'-P-C4' energy: -57.942 flat angles P-C4'-P energy: -20.173 tors. eta vs tors. theta energy: 19.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1091.423454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.423454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.423454 (E_RNA) where: Base-Base interactions energy: -760.034 where: short stacking energy: -324.066 Base-Backbone interact. energy: 2.381 local terms energy: -333.770492 where: bonds (distance) C4'-P energy: -59.650 bonds (distance) P-C4' energy: -64.974 flat angles C4'-P-C4' energy: -76.939 flat angles P-C4'-P energy: -47.890 tors. eta vs tors. theta energy: -84.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1000.163971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.163971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.163971 (E_RNA) where: Base-Base interactions energy: -682.771 where: short stacking energy: -281.414 Base-Backbone interact. energy: -0.695 local terms energy: -316.697861 where: bonds (distance) C4'-P energy: -63.502 bonds (distance) P-C4' energy: -64.831 flat angles C4'-P-C4' energy: -65.886 flat angles P-C4'-P energy: -49.371 tors. eta vs tors. theta energy: -73.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -968.489875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.489875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.489875 (E_RNA) where: Base-Base interactions energy: -639.582 where: short stacking energy: -281.867 Base-Backbone interact. energy: -3.162 local terms energy: -325.746723 where: bonds (distance) C4'-P energy: -68.162 bonds (distance) P-C4' energy: -65.796 flat angles C4'-P-C4' energy: -71.776 flat angles P-C4'-P energy: -42.341 tors. eta vs tors. theta energy: -77.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -971.892308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.892308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.892308 (E_RNA) where: Base-Base interactions energy: -640.914 where: short stacking energy: -295.384 Base-Backbone interact. energy: -0.912 local terms energy: -330.065975 where: bonds (distance) C4'-P energy: -57.375 bonds (distance) P-C4' energy: -63.620 flat angles C4'-P-C4' energy: -67.745 flat angles P-C4'-P energy: -42.437 tors. eta vs tors. theta energy: -98.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -964.188999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.188999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.188999 (E_RNA) where: Base-Base interactions energy: -664.582 where: short stacking energy: -257.389 Base-Backbone interact. energy: -1.333 local terms energy: -298.273920 where: bonds (distance) C4'-P energy: -54.292 bonds (distance) P-C4' energy: -68.566 flat angles C4'-P-C4' energy: -58.667 flat angles P-C4'-P energy: -38.001 tors. eta vs tors. theta energy: -78.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -820.105907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.105907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.105907 (E_RNA) where: Base-Base interactions energy: -543.884 where: short stacking energy: -224.840 Base-Backbone interact. energy: -0.857 local terms energy: -275.364783 where: bonds (distance) C4'-P energy: -61.068 bonds (distance) P-C4' energy: -56.680 flat angles C4'-P-C4' energy: -63.220 flat angles P-C4'-P energy: -36.032 tors. eta vs tors. theta energy: -58.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -676.782202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.782202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.782202 (E_RNA) where: Base-Base interactions energy: -416.273 where: short stacking energy: -184.278 Base-Backbone interact. energy: -0.307 local terms energy: -260.201663 where: bonds (distance) C4'-P energy: -54.060 bonds (distance) P-C4' energy: -56.679 flat angles C4'-P-C4' energy: -59.360 flat angles P-C4'-P energy: -45.199 tors. eta vs tors. theta energy: -44.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -524.551051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.551051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.551051 (E_RNA) where: Base-Base interactions energy: -278.248 where: short stacking energy: -149.360 Base-Backbone interact. energy: 2.086 local terms energy: -248.389861 where: bonds (distance) C4'-P energy: -59.495 bonds (distance) P-C4' energy: -63.118 flat angles C4'-P-C4' energy: -55.513 flat angles P-C4'-P energy: -38.977 tors. eta vs tors. theta energy: -31.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -300.842302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.842302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.842302 (E_RNA) where: Base-Base interactions energy: -108.721 where: short stacking energy: -96.060 Base-Backbone interact. energy: -1.069 local terms energy: -191.052587 where: bonds (distance) C4'-P energy: -55.674 bonds (distance) P-C4' energy: -46.563 flat angles C4'-P-C4' energy: -52.038 flat angles P-C4'-P energy: -23.630 tors. eta vs tors. theta energy: -13.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -265.416163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.416163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.416163 (E_RNA) where: Base-Base interactions energy: -79.357 where: short stacking energy: -75.745 Base-Backbone interact. energy: -0.396 local terms energy: -185.663791 where: bonds (distance) C4'-P energy: -54.645 bonds (distance) P-C4' energy: -60.831 flat angles C4'-P-C4' energy: -55.809 flat angles P-C4'-P energy: -27.334 tors. eta vs tors. theta energy: 12.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1091.873873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.873873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.873873 (E_RNA) where: Base-Base interactions energy: -756.693 where: short stacking energy: -323.247 Base-Backbone interact. energy: -2.059 local terms energy: -333.121995 where: bonds (distance) C4'-P energy: -64.231 bonds (distance) P-C4' energy: -56.503 flat angles C4'-P-C4' energy: -66.600 flat angles P-C4'-P energy: -51.264 tors. eta vs tors. theta energy: -94.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1026.807381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.807381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.807381 (E_RNA) where: Base-Base interactions energy: -716.884 where: short stacking energy: -298.111 Base-Backbone interact. energy: -0.248 local terms energy: -309.675242 where: bonds (distance) C4'-P energy: -42.403 bonds (distance) P-C4' energy: -69.635 flat angles C4'-P-C4' energy: -71.448 flat angles P-C4'-P energy: -43.639 tors. eta vs tors. theta energy: -82.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -960.634192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.634192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.634192 (E_RNA) where: Base-Base interactions energy: -666.276 where: short stacking energy: -274.028 Base-Backbone interact. energy: -1.860 local terms energy: -292.498899 where: bonds (distance) C4'-P energy: -63.146 bonds (distance) P-C4' energy: -53.215 flat angles C4'-P-C4' energy: -61.764 flat angles P-C4'-P energy: -42.496 tors. eta vs tors. theta energy: -71.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -990.824757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.824757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.824757 (E_RNA) where: Base-Base interactions energy: -686.770 where: short stacking energy: -292.255 Base-Backbone interact. energy: -1.838 local terms energy: -302.216797 where: bonds (distance) C4'-P energy: -53.393 bonds (distance) P-C4' energy: -60.556 flat angles C4'-P-C4' energy: -63.475 flat angles P-C4'-P energy: -45.014 tors. eta vs tors. theta energy: -79.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -938.492939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.492939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.492939 (E_RNA) where: Base-Base interactions energy: -637.681 where: short stacking energy: -261.792 Base-Backbone interact. energy: -1.507 local terms energy: -299.304603 where: bonds (distance) C4'-P energy: -55.752 bonds (distance) P-C4' energy: -53.243 flat angles C4'-P-C4' energy: -67.272 flat angles P-C4'-P energy: -43.179 tors. eta vs tors. theta energy: -79.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -832.150645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.150645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.150645 (E_RNA) where: Base-Base interactions energy: -537.574 where: short stacking energy: -227.044 Base-Backbone interact. energy: 0.078 local terms energy: -294.654307 where: bonds (distance) C4'-P energy: -52.966 bonds (distance) P-C4' energy: -65.311 flat angles C4'-P-C4' energy: -60.636 flat angles P-C4'-P energy: -43.863 tors. eta vs tors. theta energy: -71.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -662.998593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.998593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.998593 (E_RNA) where: Base-Base interactions energy: -431.556 where: short stacking energy: -203.385 Base-Backbone interact. energy: -0.519 local terms energy: -230.923810 where: bonds (distance) C4'-P energy: -55.941 bonds (distance) P-C4' energy: -44.007 flat angles C4'-P-C4' energy: -54.591 flat angles P-C4'-P energy: -37.539 tors. eta vs tors. theta energy: -38.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -578.650134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.650134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.650134 (E_RNA) where: Base-Base interactions energy: -345.779 where: short stacking energy: -178.886 Base-Backbone interact. energy: 0.544 local terms energy: -233.414625 where: bonds (distance) C4'-P energy: -68.991 bonds (distance) P-C4' energy: -39.589 flat angles C4'-P-C4' energy: -48.939 flat angles P-C4'-P energy: -41.515 tors. eta vs tors. theta energy: -34.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -283.276965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.276965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.276965 (E_RNA) where: Base-Base interactions energy: -91.203 where: short stacking energy: -78.375 Base-Backbone interact. energy: -2.359 local terms energy: -189.715198 where: bonds (distance) C4'-P energy: -45.124 bonds (distance) P-C4' energy: -54.449 flat angles C4'-P-C4' energy: -59.872 flat angles P-C4'-P energy: -35.716 tors. eta vs tors. theta energy: 5.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -271.353734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.353734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.353734 (E_RNA) where: Base-Base interactions energy: -101.503 where: short stacking energy: -83.334 Base-Backbone interact. energy: -0.690 local terms energy: -169.160312 where: bonds (distance) C4'-P energy: -51.537 bonds (distance) P-C4' energy: -52.373 flat angles C4'-P-C4' energy: -44.584 flat angles P-C4'-P energy: -25.816 tors. eta vs tors. theta energy: 5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1065.932378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.932378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.932378 (E_RNA) where: Base-Base interactions energy: -724.478 where: short stacking energy: -311.294 Base-Backbone interact. energy: -0.591 local terms energy: -340.863338 where: bonds (distance) C4'-P energy: -72.582 bonds (distance) P-C4' energy: -67.886 flat angles C4'-P-C4' energy: -63.959 flat angles P-C4'-P energy: -49.999 tors. eta vs tors. theta energy: -86.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1048.210097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.210097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.210097 (E_RNA) where: Base-Base interactions energy: -742.784 where: short stacking energy: -309.630 Base-Backbone interact. energy: -1.195 local terms energy: -304.231429 where: bonds (distance) C4'-P energy: -55.393 bonds (distance) P-C4' energy: -53.933 flat angles C4'-P-C4' energy: -72.214 flat angles P-C4'-P energy: -43.943 tors. eta vs tors. theta energy: -78.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1004.279907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.279907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.279907 (E_RNA) where: Base-Base interactions energy: -692.019 where: short stacking energy: -289.070 Base-Backbone interact. energy: -0.883 local terms energy: -311.378731 where: bonds (distance) C4'-P energy: -52.283 bonds (distance) P-C4' energy: -58.180 flat angles C4'-P-C4' energy: -69.942 flat angles P-C4'-P energy: -43.750 tors. eta vs tors. theta energy: -87.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -958.278809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.278809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.278809 (E_RNA) where: Base-Base interactions energy: -646.923 where: short stacking energy: -292.367 Base-Backbone interact. energy: -1.873 local terms energy: -309.481950 where: bonds (distance) C4'-P energy: -52.515 bonds (distance) P-C4' energy: -60.146 flat angles C4'-P-C4' energy: -67.306 flat angles P-C4'-P energy: -47.941 tors. eta vs tors. theta energy: -81.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -933.644052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.644052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.644052 (E_RNA) where: Base-Base interactions energy: -623.046 where: short stacking energy: -278.977 Base-Backbone interact. energy: -0.706 local terms energy: -309.892417 where: bonds (distance) C4'-P energy: -52.999 bonds (distance) P-C4' energy: -63.134 flat angles C4'-P-C4' energy: -71.505 flat angles P-C4'-P energy: -39.069 tors. eta vs tors. theta energy: -83.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -825.100278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.100278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.100278 (E_RNA) where: Base-Base interactions energy: -540.325 where: short stacking energy: -243.038 Base-Backbone interact. energy: -1.142 local terms energy: -283.633930 where: bonds (distance) C4'-P energy: -60.134 bonds (distance) P-C4' energy: -49.642 flat angles C4'-P-C4' energy: -64.415 flat angles P-C4'-P energy: -31.355 tors. eta vs tors. theta energy: -78.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -715.660960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.660960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.660960 (E_RNA) where: Base-Base interactions energy: -447.550 where: short stacking energy: -228.514 Base-Backbone interact. energy: -0.640 local terms energy: -267.470594 where: bonds (distance) C4'-P energy: -40.587 bonds (distance) P-C4' energy: -62.992 flat angles C4'-P-C4' energy: -60.827 flat angles P-C4'-P energy: -42.899 tors. eta vs tors. theta energy: -60.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -521.137050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.137050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.137050 (E_RNA) where: Base-Base interactions energy: -287.132 where: short stacking energy: -147.799 Base-Backbone interact. energy: -0.366 local terms energy: -233.638496 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -64.148 flat angles C4'-P-C4' energy: -56.676 flat angles P-C4'-P energy: -26.477 tors. eta vs tors. theta energy: -25.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -332.777249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.777249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.777249 (E_RNA) where: Base-Base interactions energy: -150.383 where: short stacking energy: -121.158 Base-Backbone interact. energy: 1.711 local terms energy: -184.104509 where: bonds (distance) C4'-P energy: -55.688 bonds (distance) P-C4' energy: -50.629 flat angles C4'-P-C4' energy: -43.485 flat angles P-C4'-P energy: -18.443 tors. eta vs tors. theta energy: -15.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -279.251729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.251729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.251729 (E_RNA) where: Base-Base interactions energy: -112.302 where: short stacking energy: -109.659 Base-Backbone interact. energy: 1.302 local terms energy: -168.251204 where: bonds (distance) C4'-P energy: -40.166 bonds (distance) P-C4' energy: -47.439 flat angles C4'-P-C4' energy: -40.124 flat angles P-C4'-P energy: -27.514 tors. eta vs tors. theta energy: -13.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1089.185034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.185034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.185034 (E_RNA) where: Base-Base interactions energy: -750.754 where: short stacking energy: -324.396 Base-Backbone interact. energy: -2.218 local terms energy: -336.213628 where: bonds (distance) C4'-P energy: -70.171 bonds (distance) P-C4' energy: -61.991 flat angles C4'-P-C4' energy: -69.408 flat angles P-C4'-P energy: -45.540 tors. eta vs tors. theta energy: -89.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1046.022964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.022964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.022964 (E_RNA) where: Base-Base interactions energy: -715.541 where: short stacking energy: -289.744 Base-Backbone interact. energy: -0.170 local terms energy: -330.312052 where: bonds (distance) C4'-P energy: -64.531 bonds (distance) P-C4' energy: -64.140 flat angles C4'-P-C4' energy: -72.423 flat angles P-C4'-P energy: -49.417 tors. eta vs tors. theta energy: -79.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1003.088380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.088380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.088380 (E_RNA) where: Base-Base interactions energy: -699.846 where: short stacking energy: -291.744 Base-Backbone interact. energy: -0.738 local terms energy: -302.503960 where: bonds (distance) C4'-P energy: -46.191 bonds (distance) P-C4' energy: -66.956 flat angles C4'-P-C4' energy: -61.032 flat angles P-C4'-P energy: -48.878 tors. eta vs tors. theta energy: -79.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -958.363311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.363311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.363311 (E_RNA) where: Base-Base interactions energy: -630.621 where: short stacking energy: -296.706 Base-Backbone interact. energy: 0.012 local terms energy: -327.754275 where: bonds (distance) C4'-P energy: -65.729 bonds (distance) P-C4' energy: -71.238 flat angles C4'-P-C4' energy: -72.641 flat angles P-C4'-P energy: -34.176 tors. eta vs tors. theta energy: -83.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -889.204722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.204722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.204722 (E_RNA) where: Base-Base interactions energy: -580.019 where: short stacking energy: -254.709 Base-Backbone interact. energy: -3.187 local terms energy: -305.998460 where: bonds (distance) C4'-P energy: -55.229 bonds (distance) P-C4' energy: -59.254 flat angles C4'-P-C4' energy: -64.581 flat angles P-C4'-P energy: -45.231 tors. eta vs tors. theta energy: -81.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -820.813256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.813256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.813256 (E_RNA) where: Base-Base interactions energy: -554.177 where: short stacking energy: -247.433 Base-Backbone interact. energy: 1.500 local terms energy: -268.136343 where: bonds (distance) C4'-P energy: -51.532 bonds (distance) P-C4' energy: -62.378 flat angles C4'-P-C4' energy: -60.430 flat angles P-C4'-P energy: -37.625 tors. eta vs tors. theta energy: -56.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -734.226722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.226722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.226722 (E_RNA) where: Base-Base interactions energy: -457.849 where: short stacking energy: -219.564 Base-Backbone interact. energy: -1.712 local terms energy: -274.665956 where: bonds (distance) C4'-P energy: -49.241 bonds (distance) P-C4' energy: -56.032 flat angles C4'-P-C4' energy: -71.661 flat angles P-C4'-P energy: -45.637 tors. eta vs tors. theta energy: -52.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -551.670423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.670423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.670423 (E_RNA) where: Base-Base interactions energy: -316.578 where: short stacking energy: -169.601 Base-Backbone interact. energy: 0.712 local terms energy: -235.804077 where: bonds (distance) C4'-P energy: -50.146 bonds (distance) P-C4' energy: -64.163 flat angles C4'-P-C4' energy: -56.786 flat angles P-C4'-P energy: -24.289 tors. eta vs tors. theta energy: -40.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -318.013279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.013279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.013279 (E_RNA) where: Base-Base interactions energy: -121.638 where: short stacking energy: -103.148 Base-Backbone interact. energy: -0.670 local terms energy: -195.705541 where: bonds (distance) C4'-P energy: -57.460 bonds (distance) P-C4' energy: -50.585 flat angles C4'-P-C4' energy: -41.878 flat angles P-C4'-P energy: -37.957 tors. eta vs tors. theta energy: -7.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -330.544602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.544602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.544602 (E_RNA) where: Base-Base interactions energy: -149.322 where: short stacking energy: -96.507 Base-Backbone interact. energy: 1.468 local terms energy: -182.690427 where: bonds (distance) C4'-P energy: -56.907 bonds (distance) P-C4' energy: -52.832 flat angles C4'-P-C4' energy: -39.571 flat angles P-C4'-P energy: -32.764 tors. eta vs tors. theta energy: -0.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1087.852276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.852276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.852276 (E_RNA) where: Base-Base interactions energy: -738.405 where: short stacking energy: -313.784 Base-Backbone interact. energy: -2.240 local terms energy: -347.207421 where: bonds (distance) C4'-P energy: -71.263 bonds (distance) P-C4' energy: -70.031 flat angles C4'-P-C4' energy: -75.893 flat angles P-C4'-P energy: -42.383 tors. eta vs tors. theta energy: -87.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1036.091117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.091117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.091117 (E_RNA) where: Base-Base interactions energy: -726.178 where: short stacking energy: -304.796 Base-Backbone interact. energy: 0.901 local terms energy: -310.813657 where: bonds (distance) C4'-P energy: -67.630 bonds (distance) P-C4' energy: -60.493 flat angles C4'-P-C4' energy: -61.574 flat angles P-C4'-P energy: -40.151 tors. eta vs tors. theta energy: -80.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1015.768781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.768781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.768781 (E_RNA) where: Base-Base interactions energy: -701.280 where: short stacking energy: -294.672 Base-Backbone interact. energy: -2.727 local terms energy: -311.761399 where: bonds (distance) C4'-P energy: -53.586 bonds (distance) P-C4' energy: -60.670 flat angles C4'-P-C4' energy: -62.950 flat angles P-C4'-P energy: -41.755 tors. eta vs tors. theta energy: -92.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -939.969639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.969639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.969639 (E_RNA) where: Base-Base interactions energy: -637.662 where: short stacking energy: -277.254 Base-Backbone interact. energy: -1.206 local terms energy: -301.101415 where: bonds (distance) C4'-P energy: -48.919 bonds (distance) P-C4' energy: -61.692 flat angles C4'-P-C4' energy: -66.834 flat angles P-C4'-P energy: -41.051 tors. eta vs tors. theta energy: -82.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -869.367460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.367460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.367460 (E_RNA) where: Base-Base interactions energy: -578.072 where: short stacking energy: -256.216 Base-Backbone interact. energy: 1.206 local terms energy: -292.501056 where: bonds (distance) C4'-P energy: -52.307 bonds (distance) P-C4' energy: -61.836 flat angles C4'-P-C4' energy: -65.981 flat angles P-C4'-P energy: -39.148 tors. eta vs tors. theta energy: -73.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -796.465264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.465264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.465264 (E_RNA) where: Base-Base interactions energy: -521.277 where: short stacking energy: -225.160 Base-Backbone interact. energy: -0.975 local terms energy: -274.213625 where: bonds (distance) C4'-P energy: -55.446 bonds (distance) P-C4' energy: -58.097 flat angles C4'-P-C4' energy: -60.029 flat angles P-C4'-P energy: -39.431 tors. eta vs tors. theta energy: -61.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -723.011009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.011009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.011009 (E_RNA) where: Base-Base interactions energy: -467.286 where: short stacking energy: -218.483 Base-Backbone interact. energy: -3.575 local terms energy: -252.149723 where: bonds (distance) C4'-P energy: -45.609 bonds (distance) P-C4' energy: -56.522 flat angles C4'-P-C4' energy: -63.890 flat angles P-C4'-P energy: -38.541 tors. eta vs tors. theta energy: -47.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -531.041974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.041974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.041974 (E_RNA) where: Base-Base interactions energy: -289.819 where: short stacking energy: -150.256 Base-Backbone interact. energy: -0.984 local terms energy: -240.238865 where: bonds (distance) C4'-P energy: -55.307 bonds (distance) P-C4' energy: -61.031 flat angles C4'-P-C4' energy: -56.554 flat angles P-C4'-P energy: -30.732 tors. eta vs tors. theta energy: -36.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -324.375671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.375671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.375671 (E_RNA) where: Base-Base interactions energy: -139.001 where: short stacking energy: -100.155 Base-Backbone interact. energy: -0.307 local terms energy: -185.067354 where: bonds (distance) C4'-P energy: -61.219 bonds (distance) P-C4' energy: -61.648 flat angles C4'-P-C4' energy: -38.182 flat angles P-C4'-P energy: -34.162 tors. eta vs tors. theta energy: 10.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -265.555763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.555763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.555763 (E_RNA) where: Base-Base interactions energy: -111.328 where: short stacking energy: -77.954 Base-Backbone interact. energy: 0.486 local terms energy: -154.714171 where: bonds (distance) C4'-P energy: -47.841 bonds (distance) P-C4' energy: -52.185 flat angles C4'-P-C4' energy: -50.138 flat angles P-C4'-P energy: -17.835 tors. eta vs tors. theta energy: 13.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1077.379657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.379657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.379657 (E_RNA) where: Base-Base interactions energy: -750.613 where: short stacking energy: -309.503 Base-Backbone interact. energy: 0.240 local terms energy: -327.005997 where: bonds (distance) C4'-P energy: -58.342 bonds (distance) P-C4' energy: -67.452 flat angles C4'-P-C4' energy: -67.908 flat angles P-C4'-P energy: -49.272 tors. eta vs tors. theta energy: -84.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1039.711058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.711058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.711058 (E_RNA) where: Base-Base interactions energy: -716.775 where: short stacking energy: -293.882 Base-Backbone interact. energy: -2.881 local terms energy: -320.055739 where: bonds (distance) C4'-P energy: -67.343 bonds (distance) P-C4' energy: -65.576 flat angles C4'-P-C4' energy: -63.537 flat angles P-C4'-P energy: -44.423 tors. eta vs tors. theta energy: -79.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1004.602903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.602903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.602903 (E_RNA) where: Base-Base interactions energy: -686.846 where: short stacking energy: -306.365 Base-Backbone interact. energy: -2.329 local terms energy: -315.428282 where: bonds (distance) C4'-P energy: -50.682 bonds (distance) P-C4' energy: -61.723 flat angles C4'-P-C4' energy: -73.129 flat angles P-C4'-P energy: -50.556 tors. eta vs tors. theta energy: -79.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -971.848639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.848639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.848639 (E_RNA) where: Base-Base interactions energy: -651.477 where: short stacking energy: -286.849 Base-Backbone interact. energy: -0.913 local terms energy: -319.458308 where: bonds (distance) C4'-P energy: -58.417 bonds (distance) P-C4' energy: -62.133 flat angles C4'-P-C4' energy: -65.785 flat angles P-C4'-P energy: -46.800 tors. eta vs tors. theta energy: -86.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -873.054961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.054961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.054961 (E_RNA) where: Base-Base interactions energy: -568.789 where: short stacking energy: -248.647 Base-Backbone interact. energy: 1.606 local terms energy: -305.871564 where: bonds (distance) C4'-P energy: -62.337 bonds (distance) P-C4' energy: -60.584 flat angles C4'-P-C4' energy: -71.443 flat angles P-C4'-P energy: -49.120 tors. eta vs tors. theta energy: -62.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -794.005494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.005494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.005494 (E_RNA) where: Base-Base interactions energy: -511.050 where: short stacking energy: -235.867 Base-Backbone interact. energy: 0.742 local terms energy: -283.697749 where: bonds (distance) C4'-P energy: -57.023 bonds (distance) P-C4' energy: -54.180 flat angles C4'-P-C4' energy: -60.617 flat angles P-C4'-P energy: -45.901 tors. eta vs tors. theta energy: -65.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -750.539973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.539973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.539973 (E_RNA) where: Base-Base interactions energy: -503.020 where: short stacking energy: -229.179 Base-Backbone interact. energy: 0.111 local terms energy: -247.631154 where: bonds (distance) C4'-P energy: -56.128 bonds (distance) P-C4' energy: -54.060 flat angles C4'-P-C4' energy: -57.862 flat angles P-C4'-P energy: -28.107 tors. eta vs tors. theta energy: -51.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -528.244960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.244960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.244960 (E_RNA) where: Base-Base interactions energy: -288.163 where: short stacking energy: -163.701 Base-Backbone interact. energy: 0.859 local terms energy: -240.941367 where: bonds (distance) C4'-P energy: -61.609 bonds (distance) P-C4' energy: -60.401 flat angles C4'-P-C4' energy: -63.249 flat angles P-C4'-P energy: -28.513 tors. eta vs tors. theta energy: -27.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -322.795331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.795331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.795331 (E_RNA) where: Base-Base interactions energy: -145.631 where: short stacking energy: -94.156 Base-Backbone interact. energy: -1.932 local terms energy: -175.232482 where: bonds (distance) C4'-P energy: -55.309 bonds (distance) P-C4' energy: -46.668 flat angles C4'-P-C4' energy: -53.173 flat angles P-C4'-P energy: -29.857 tors. eta vs tors. theta energy: 9.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -266.481018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.481018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.481018 (E_RNA) where: Base-Base interactions energy: -90.031 where: short stacking energy: -75.311 Base-Backbone interact. energy: 2.256 local terms energy: -178.705949 where: bonds (distance) C4'-P energy: -59.600 bonds (distance) P-C4' energy: -49.923 flat angles C4'-P-C4' energy: -49.344 flat angles P-C4'-P energy: -23.782 tors. eta vs tors. theta energy: 3.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1100.309456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.309456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.309456 (E_RNA) where: Base-Base interactions energy: -758.050 where: short stacking energy: -313.528 Base-Backbone interact. energy: -0.390 local terms energy: -341.869720 where: bonds (distance) C4'-P energy: -65.473 bonds (distance) P-C4' energy: -63.905 flat angles C4'-P-C4' energy: -74.894 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: -90.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1020.340182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.340182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.340182 (E_RNA) where: Base-Base interactions energy: -705.625 where: short stacking energy: -287.620 Base-Backbone interact. energy: -1.870 local terms energy: -312.845156 where: bonds (distance) C4'-P energy: -52.281 bonds (distance) P-C4' energy: -61.467 flat angles C4'-P-C4' energy: -75.782 flat angles P-C4'-P energy: -46.369 tors. eta vs tors. theta energy: -76.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1012.440820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.440820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.440820 (E_RNA) where: Base-Base interactions energy: -686.929 where: short stacking energy: -291.057 Base-Backbone interact. energy: -0.267 local terms energy: -325.244822 where: bonds (distance) C4'-P energy: -60.697 bonds (distance) P-C4' energy: -66.128 flat angles C4'-P-C4' energy: -72.051 flat angles P-C4'-P energy: -36.413 tors. eta vs tors. theta energy: -89.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1000.157262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.157262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.157262 (E_RNA) where: Base-Base interactions energy: -689.890 where: short stacking energy: -308.936 Base-Backbone interact. energy: -0.863 local terms energy: -309.404294 where: bonds (distance) C4'-P energy: -50.059 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -66.364 flat angles P-C4'-P energy: -51.842 tors. eta vs tors. theta energy: -76.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -821.880034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.880034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.880034 (E_RNA) where: Base-Base interactions energy: -538.015 where: short stacking energy: -242.704 Base-Backbone interact. energy: -1.410 local terms energy: -282.455066 where: bonds (distance) C4'-P energy: -58.779 bonds (distance) P-C4' energy: -48.223 flat angles C4'-P-C4' energy: -73.107 flat angles P-C4'-P energy: -40.529 tors. eta vs tors. theta energy: -61.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -791.212080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.212080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.212080 (E_RNA) where: Base-Base interactions energy: -518.806 where: short stacking energy: -216.296 Base-Backbone interact. energy: -0.645 local terms energy: -271.760504 where: bonds (distance) C4'-P energy: -53.716 bonds (distance) P-C4' energy: -61.799 flat angles C4'-P-C4' energy: -69.274 flat angles P-C4'-P energy: -37.187 tors. eta vs tors. theta energy: -49.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -763.087636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.087636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.087636 (E_RNA) where: Base-Base interactions energy: -512.451 where: short stacking energy: -245.794 Base-Backbone interact. energy: -1.669 local terms energy: -248.967470 where: bonds (distance) C4'-P energy: -60.305 bonds (distance) P-C4' energy: -53.903 flat angles C4'-P-C4' energy: -49.316 flat angles P-C4'-P energy: -32.180 tors. eta vs tors. theta energy: -53.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -527.464637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.464637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.464637 (E_RNA) where: Base-Base interactions energy: -318.279 where: short stacking energy: -160.344 Base-Backbone interact. energy: -0.370 local terms energy: -208.815528 where: bonds (distance) C4'-P energy: -59.145 bonds (distance) P-C4' energy: -41.153 flat angles C4'-P-C4' energy: -56.289 flat angles P-C4'-P energy: -27.486 tors. eta vs tors. theta energy: -24.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -301.684371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.684371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.684371 (E_RNA) where: Base-Base interactions energy: -126.013 where: short stacking energy: -92.548 Base-Backbone interact. energy: 0.137 local terms energy: -175.808664 where: bonds (distance) C4'-P energy: -53.233 bonds (distance) P-C4' energy: -58.666 flat angles C4'-P-C4' energy: -32.886 flat angles P-C4'-P energy: -32.109 tors. eta vs tors. theta energy: 1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -289.044358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.044358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.044358 (E_RNA) where: Base-Base interactions energy: -72.656 where: short stacking energy: -67.982 Base-Backbone interact. energy: -0.863 local terms energy: -215.524656 where: bonds (distance) C4'-P energy: -63.976 bonds (distance) P-C4' energy: -62.937 flat angles C4'-P-C4' energy: -47.041 flat angles P-C4'-P energy: -31.528 tors. eta vs tors. theta energy: -10.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1103.333890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.333890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.333890 (E_RNA) where: Base-Base interactions energy: -779.959 where: short stacking energy: -316.262 Base-Backbone interact. energy: -1.452 local terms energy: -321.922649 where: bonds (distance) C4'-P energy: -61.159 bonds (distance) P-C4' energy: -57.601 flat angles C4'-P-C4' energy: -67.016 flat angles P-C4'-P energy: -46.974 tors. eta vs tors. theta energy: -89.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1027.049798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.049798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.049798 (E_RNA) where: Base-Base interactions energy: -705.089 where: short stacking energy: -291.176 Base-Backbone interact. energy: -1.887 local terms energy: -320.074341 where: bonds (distance) C4'-P energy: -60.075 bonds (distance) P-C4' energy: -63.793 flat angles C4'-P-C4' energy: -66.846 flat angles P-C4'-P energy: -46.666 tors. eta vs tors. theta energy: -82.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1024.260661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.260661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.260661 (E_RNA) where: Base-Base interactions energy: -698.133 where: short stacking energy: -293.990 Base-Backbone interact. energy: -2.898 local terms energy: -323.229728 where: bonds (distance) C4'-P energy: -53.533 bonds (distance) P-C4' energy: -58.771 flat angles C4'-P-C4' energy: -72.501 flat angles P-C4'-P energy: -46.046 tors. eta vs tors. theta energy: -92.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -953.001571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.001571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.001571 (E_RNA) where: Base-Base interactions energy: -642.884 where: short stacking energy: -258.016 Base-Backbone interact. energy: -1.306 local terms energy: -308.811176 where: bonds (distance) C4'-P energy: -60.635 bonds (distance) P-C4' energy: -58.407 flat angles C4'-P-C4' energy: -66.866 flat angles P-C4'-P energy: -49.083 tors. eta vs tors. theta energy: -73.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -811.375891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.375891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.375891 (E_RNA) where: Base-Base interactions energy: -532.729 where: short stacking energy: -243.523 Base-Backbone interact. energy: -1.749 local terms energy: -276.898302 where: bonds (distance) C4'-P energy: -47.460 bonds (distance) P-C4' energy: -63.037 flat angles C4'-P-C4' energy: -62.629 flat angles P-C4'-P energy: -42.090 tors. eta vs tors. theta energy: -61.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -813.338940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.338940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.338940 (E_RNA) where: Base-Base interactions energy: -549.952 where: short stacking energy: -225.187 Base-Backbone interact. energy: -1.427 local terms energy: -261.960570 where: bonds (distance) C4'-P energy: -50.053 bonds (distance) P-C4' energy: -63.168 flat angles C4'-P-C4' energy: -56.327 flat angles P-C4'-P energy: -36.769 tors. eta vs tors. theta energy: -55.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -710.430991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.430991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.430991 (E_RNA) where: Base-Base interactions energy: -448.279 where: short stacking energy: -208.076 Base-Backbone interact. energy: -0.813 local terms energy: -261.338767 where: bonds (distance) C4'-P energy: -49.385 bonds (distance) P-C4' energy: -62.825 flat angles C4'-P-C4' energy: -62.797 flat angles P-C4'-P energy: -28.410 tors. eta vs tors. theta energy: -57.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -524.920428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.920428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.920428 (E_RNA) where: Base-Base interactions energy: -299.750 where: short stacking energy: -154.813 Base-Backbone interact. energy: -0.072 local terms energy: -225.098592 where: bonds (distance) C4'-P energy: -56.646 bonds (distance) P-C4' energy: -46.182 flat angles C4'-P-C4' energy: -57.046 flat angles P-C4'-P energy: -37.079 tors. eta vs tors. theta energy: -28.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -313.155436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.155436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.155436 (E_RNA) where: Base-Base interactions energy: -133.495 where: short stacking energy: -83.121 Base-Backbone interact. energy: 1.320 local terms energy: -180.979830 where: bonds (distance) C4'-P energy: -53.859 bonds (distance) P-C4' energy: -64.177 flat angles C4'-P-C4' energy: -50.472 flat angles P-C4'-P energy: -20.601 tors. eta vs tors. theta energy: 8.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -265.119932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.119932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.119932 (E_RNA) where: Base-Base interactions energy: -91.435 where: short stacking energy: -64.695 Base-Backbone interact. energy: -0.151 local terms energy: -173.534053 where: bonds (distance) C4'-P energy: -63.201 bonds (distance) P-C4' energy: -55.334 flat angles C4'-P-C4' energy: -41.665 flat angles P-C4'-P energy: -30.707 tors. eta vs tors. theta energy: 17.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1097.447229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.447229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.447229 (E_RNA) where: Base-Base interactions energy: -743.276 where: short stacking energy: -304.786 Base-Backbone interact. energy: -1.844 local terms energy: -352.327123 where: bonds (distance) C4'-P energy: -68.708 bonds (distance) P-C4' energy: -65.547 flat angles C4'-P-C4' energy: -75.085 flat angles P-C4'-P energy: -47.400 tors. eta vs tors. theta energy: -95.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1059.265768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.265768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.265768 (E_RNA) where: Base-Base interactions energy: -728.844 where: short stacking energy: -311.050 Base-Backbone interact. energy: -0.378 local terms energy: -330.043261 where: bonds (distance) C4'-P energy: -60.578 bonds (distance) P-C4' energy: -59.862 flat angles C4'-P-C4' energy: -69.110 flat angles P-C4'-P energy: -52.644 tors. eta vs tors. theta energy: -87.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -985.732335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.732335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.732335 (E_RNA) where: Base-Base interactions energy: -689.420 where: short stacking energy: -280.531 Base-Backbone interact. energy: -2.360 local terms energy: -293.952189 where: bonds (distance) C4'-P energy: -54.199 bonds (distance) P-C4' energy: -52.537 flat angles C4'-P-C4' energy: -66.966 flat angles P-C4'-P energy: -45.998 tors. eta vs tors. theta energy: -74.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -998.320975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.320975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.320975 (E_RNA) where: Base-Base interactions energy: -676.464 where: short stacking energy: -303.895 Base-Backbone interact. energy: -0.389 local terms energy: -321.468362 where: bonds (distance) C4'-P energy: -64.275 bonds (distance) P-C4' energy: -59.075 flat angles C4'-P-C4' energy: -67.968 flat angles P-C4'-P energy: -42.346 tors. eta vs tors. theta energy: -87.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -858.298282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.298282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.298282 (E_RNA) where: Base-Base interactions energy: -573.025 where: short stacking energy: -262.211 Base-Backbone interact. energy: 1.133 local terms energy: -286.406197 where: bonds (distance) C4'-P energy: -56.177 bonds (distance) P-C4' energy: -56.379 flat angles C4'-P-C4' energy: -64.192 flat angles P-C4'-P energy: -34.205 tors. eta vs tors. theta energy: -75.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -826.475591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.475591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.475591 (E_RNA) where: Base-Base interactions energy: -535.349 where: short stacking energy: -235.241 Base-Backbone interact. energy: 0.249 local terms energy: -291.375059 where: bonds (distance) C4'-P energy: -57.731 bonds (distance) P-C4' energy: -66.444 flat angles C4'-P-C4' energy: -68.456 flat angles P-C4'-P energy: -34.037 tors. eta vs tors. theta energy: -64.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -732.920949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.920949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.920949 (E_RNA) where: Base-Base interactions energy: -486.796 where: short stacking energy: -233.163 Base-Backbone interact. energy: -1.558 local terms energy: -244.566878 where: bonds (distance) C4'-P energy: -40.263 bonds (distance) P-C4' energy: -50.160 flat angles C4'-P-C4' energy: -56.199 flat angles P-C4'-P energy: -40.365 tors. eta vs tors. theta energy: -57.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -509.517242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.517242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.517242 (E_RNA) where: Base-Base interactions energy: -280.616 where: short stacking energy: -144.540 Base-Backbone interact. energy: -2.469 local terms energy: -226.431991 where: bonds (distance) C4'-P energy: -45.093 bonds (distance) P-C4' energy: -57.007 flat angles C4'-P-C4' energy: -64.509 flat angles P-C4'-P energy: -36.685 tors. eta vs tors. theta energy: -23.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -280.574268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.574268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.574268 (E_RNA) where: Base-Base interactions energy: -107.020 where: short stacking energy: -99.359 Base-Backbone interact. energy: 4.944 local terms energy: -178.498739 where: bonds (distance) C4'-P energy: -45.651 bonds (distance) P-C4' energy: -62.174 flat angles C4'-P-C4' energy: -47.970 flat angles P-C4'-P energy: -22.683 tors. eta vs tors. theta energy: -0.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -255.969972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.969972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.969972 (E_RNA) where: Base-Base interactions energy: -78.111 where: short stacking energy: -65.850 Base-Backbone interact. energy: -1.493 local terms energy: -176.365729 where: bonds (distance) C4'-P energy: -53.015 bonds (distance) P-C4' energy: -58.256 flat angles C4'-P-C4' energy: -54.798 flat angles P-C4'-P energy: -23.873 tors. eta vs tors. theta energy: 13.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1104.485477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.485477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.485477 (E_RNA) where: Base-Base interactions energy: -761.410 where: short stacking energy: -312.435 Base-Backbone interact. energy: 1.274 local terms energy: -344.349372 where: bonds (distance) C4'-P energy: -72.357 bonds (distance) P-C4' energy: -59.351 flat angles C4'-P-C4' energy: -73.891 flat angles P-C4'-P energy: -50.309 tors. eta vs tors. theta energy: -88.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1029.324979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.324979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.324979 (E_RNA) where: Base-Base interactions energy: -722.712 where: short stacking energy: -318.988 Base-Backbone interact. energy: 5.218 local terms energy: -311.830714 where: bonds (distance) C4'-P energy: -60.275 bonds (distance) P-C4' energy: -60.994 flat angles C4'-P-C4' energy: -60.192 flat angles P-C4'-P energy: -43.988 tors. eta vs tors. theta energy: -86.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1012.669306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.669306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.669306 (E_RNA) where: Base-Base interactions energy: -697.495 where: short stacking energy: -290.806 Base-Backbone interact. energy: -2.771 local terms energy: -312.403016 where: bonds (distance) C4'-P energy: -61.907 bonds (distance) P-C4' energy: -57.187 flat angles C4'-P-C4' energy: -65.278 flat angles P-C4'-P energy: -48.482 tors. eta vs tors. theta energy: -79.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -990.021335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.021335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.021335 (E_RNA) where: Base-Base interactions energy: -659.957 where: short stacking energy: -281.693 Base-Backbone interact. energy: -1.250 local terms energy: -328.813817 where: bonds (distance) C4'-P energy: -68.440 bonds (distance) P-C4' energy: -60.858 flat angles C4'-P-C4' energy: -73.601 flat angles P-C4'-P energy: -42.559 tors. eta vs tors. theta energy: -83.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -849.724251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.724251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.724251 (E_RNA) where: Base-Base interactions energy: -552.485 where: short stacking energy: -254.575 Base-Backbone interact. energy: -1.437 local terms energy: -295.802232 where: bonds (distance) C4'-P energy: -57.893 bonds (distance) P-C4' energy: -53.748 flat angles C4'-P-C4' energy: -65.701 flat angles P-C4'-P energy: -39.779 tors. eta vs tors. theta energy: -78.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -790.821901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.821901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.821901 (E_RNA) where: Base-Base interactions energy: -501.741 where: short stacking energy: -239.262 Base-Backbone interact. energy: -1.599 local terms energy: -287.481443 where: bonds (distance) C4'-P energy: -56.696 bonds (distance) P-C4' energy: -57.402 flat angles C4'-P-C4' energy: -68.278 flat angles P-C4'-P energy: -38.928 tors. eta vs tors. theta energy: -66.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -772.973350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.973350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.973350 (E_RNA) where: Base-Base interactions energy: -511.411 where: short stacking energy: -224.059 Base-Backbone interact. energy: 0.473 local terms energy: -262.035695 where: bonds (distance) C4'-P energy: -51.414 bonds (distance) P-C4' energy: -52.879 flat angles C4'-P-C4' energy: -57.726 flat angles P-C4'-P energy: -34.604 tors. eta vs tors. theta energy: -65.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -590.257590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.257590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.257590 (E_RNA) where: Base-Base interactions energy: -344.026 where: short stacking energy: -178.249 Base-Backbone interact. energy: -1.622 local terms energy: -244.609411 where: bonds (distance) C4'-P energy: -52.515 bonds (distance) P-C4' energy: -59.657 flat angles C4'-P-C4' energy: -49.880 flat angles P-C4'-P energy: -47.607 tors. eta vs tors. theta energy: -34.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -311.285605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.285605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.285605 (E_RNA) where: Base-Base interactions energy: -112.408 where: short stacking energy: -103.695 Base-Backbone interact. energy: 0.182 local terms energy: -199.060309 where: bonds (distance) C4'-P energy: -61.642 bonds (distance) P-C4' energy: -58.629 flat angles C4'-P-C4' energy: -43.102 flat angles P-C4'-P energy: -41.477 tors. eta vs tors. theta energy: 5.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -280.460881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.460881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.460881 (E_RNA) where: Base-Base interactions energy: -98.655 where: short stacking energy: -71.860 Base-Backbone interact. energy: -1.133 local terms energy: -180.672298 where: bonds (distance) C4'-P energy: -49.687 bonds (distance) P-C4' energy: -46.825 flat angles C4'-P-C4' energy: -64.442 flat angles P-C4'-P energy: -23.684 tors. eta vs tors. theta energy: 3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1091.693939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.693939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.693939 (E_RNA) where: Base-Base interactions energy: -754.090 where: short stacking energy: -317.345 Base-Backbone interact. energy: -1.182 local terms energy: -336.421303 where: bonds (distance) C4'-P energy: -55.344 bonds (distance) P-C4' energy: -70.904 flat angles C4'-P-C4' energy: -72.136 flat angles P-C4'-P energy: -41.592 tors. eta vs tors. theta energy: -96.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1038.169291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.169291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.169291 (E_RNA) where: Base-Base interactions energy: -712.059 where: short stacking energy: -315.535 Base-Backbone interact. energy: -1.638 local terms energy: -324.472362 where: bonds (distance) C4'-P energy: -53.834 bonds (distance) P-C4' energy: -58.061 flat angles C4'-P-C4' energy: -74.652 flat angles P-C4'-P energy: -47.403 tors. eta vs tors. theta energy: -90.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1011.921679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.921679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.921679 (E_RNA) where: Base-Base interactions energy: -681.895 where: short stacking energy: -295.678 Base-Backbone interact. energy: -1.925 local terms energy: -328.101660 where: bonds (distance) C4'-P energy: -58.002 bonds (distance) P-C4' energy: -52.378 flat angles C4'-P-C4' energy: -74.372 flat angles P-C4'-P energy: -56.282 tors. eta vs tors. theta energy: -87.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -972.460869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.460869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.460869 (E_RNA) where: Base-Base interactions energy: -651.035 where: short stacking energy: -262.505 Base-Backbone interact. energy: 1.110 local terms energy: -322.536041 where: bonds (distance) C4'-P energy: -66.662 bonds (distance) P-C4' energy: -60.982 flat angles C4'-P-C4' energy: -73.871 flat angles P-C4'-P energy: -52.297 tors. eta vs tors. theta energy: -68.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -875.868173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.868173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.868173 (E_RNA) where: Base-Base interactions energy: -588.823 where: short stacking energy: -262.624 Base-Backbone interact. energy: 0.382 local terms energy: -287.427240 where: bonds (distance) C4'-P energy: -53.694 bonds (distance) P-C4' energy: -64.186 flat angles C4'-P-C4' energy: -60.321 flat angles P-C4'-P energy: -29.173 tors. eta vs tors. theta energy: -80.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -770.166531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.166531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.166531 (E_RNA) where: Base-Base interactions energy: -484.944 where: short stacking energy: -228.751 Base-Backbone interact. energy: -1.306 local terms energy: -283.916435 where: bonds (distance) C4'-P energy: -53.446 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -69.140 flat angles P-C4'-P energy: -37.255 tors. eta vs tors. theta energy: -61.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -691.049263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.049263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.049263 (E_RNA) where: Base-Base interactions energy: -432.094 where: short stacking energy: -207.235 Base-Backbone interact. energy: -1.152 local terms energy: -257.803504 where: bonds (distance) C4'-P energy: -56.524 bonds (distance) P-C4' energy: -62.139 flat angles C4'-P-C4' energy: -47.293 flat angles P-C4'-P energy: -39.354 tors. eta vs tors. theta energy: -52.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -537.493031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.493031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.493031 (E_RNA) where: Base-Base interactions energy: -301.967 where: short stacking energy: -160.691 Base-Backbone interact. energy: -0.421 local terms energy: -235.105861 where: bonds (distance) C4'-P energy: -61.979 bonds (distance) P-C4' energy: -51.322 flat angles C4'-P-C4' energy: -56.534 flat angles P-C4'-P energy: -34.843 tors. eta vs tors. theta energy: -30.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -291.672244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.672244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.672244 (E_RNA) where: Base-Base interactions energy: -93.435 where: short stacking energy: -81.861 Base-Backbone interact. energy: 0.003 local terms energy: -198.240029 where: bonds (distance) C4'-P energy: -60.282 bonds (distance) P-C4' energy: -62.055 flat angles C4'-P-C4' energy: -47.711 flat angles P-C4'-P energy: -29.009 tors. eta vs tors. theta energy: 0.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -260.358374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.358374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.358374 (E_RNA) where: Base-Base interactions energy: -95.348 where: short stacking energy: -58.558 Base-Backbone interact. energy: 0.944 local terms energy: -165.954389 where: bonds (distance) C4'-P energy: -55.926 bonds (distance) P-C4' energy: -58.948 flat angles C4'-P-C4' energy: -44.027 flat angles P-C4'-P energy: -17.001 tors. eta vs tors. theta energy: 9.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1103.303011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.303011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.303011 (E_RNA) where: Base-Base interactions energy: -763.731 where: short stacking energy: -329.876 Base-Backbone interact. energy: -1.549 local terms energy: -338.022969 where: bonds (distance) C4'-P energy: -60.298 bonds (distance) P-C4' energy: -65.854 flat angles C4'-P-C4' energy: -71.867 flat angles P-C4'-P energy: -47.139 tors. eta vs tors. theta energy: -92.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1045.848855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.848855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.848855 (E_RNA) where: Base-Base interactions energy: -725.610 where: short stacking energy: -314.525 Base-Backbone interact. energy: -1.084 local terms energy: -319.154691 where: bonds (distance) C4'-P energy: -52.783 bonds (distance) P-C4' energy: -60.370 flat angles C4'-P-C4' energy: -70.088 flat angles P-C4'-P energy: -51.640 tors. eta vs tors. theta energy: -84.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1014.574788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.574788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.574788 (E_RNA) where: Base-Base interactions energy: -697.677 where: short stacking energy: -301.605 Base-Backbone interact. energy: -2.193 local terms energy: -314.705267 where: bonds (distance) C4'-P energy: -52.625 bonds (distance) P-C4' energy: -62.505 flat angles C4'-P-C4' energy: -73.882 flat angles P-C4'-P energy: -44.425 tors. eta vs tors. theta energy: -81.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -979.603290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.603290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.603290 (E_RNA) where: Base-Base interactions energy: -700.890 where: short stacking energy: -272.482 Base-Backbone interact. energy: -0.125 local terms energy: -278.588580 where: bonds (distance) C4'-P energy: -48.070 bonds (distance) P-C4' energy: -51.600 flat angles C4'-P-C4' energy: -64.188 flat angles P-C4'-P energy: -38.047 tors. eta vs tors. theta energy: -76.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -867.291113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.291113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.291113 (E_RNA) where: Base-Base interactions energy: -577.804 where: short stacking energy: -246.079 Base-Backbone interact. energy: -0.455 local terms energy: -289.031584 where: bonds (distance) C4'-P energy: -58.792 bonds (distance) P-C4' energy: -60.419 flat angles C4'-P-C4' energy: -61.772 flat angles P-C4'-P energy: -36.752 tors. eta vs tors. theta energy: -71.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -775.484167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.484167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.484167 (E_RNA) where: Base-Base interactions energy: -493.890 where: short stacking energy: -234.025 Base-Backbone interact. energy: -0.862 local terms energy: -280.731741 where: bonds (distance) C4'-P energy: -60.753 bonds (distance) P-C4' energy: -60.653 flat angles C4'-P-C4' energy: -57.278 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: -55.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -645.119701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.119701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.119701 (E_RNA) where: Base-Base interactions energy: -390.527 where: short stacking energy: -203.217 Base-Backbone interact. energy: -0.413 local terms energy: -254.179830 where: bonds (distance) C4'-P energy: -56.867 bonds (distance) P-C4' energy: -56.032 flat angles C4'-P-C4' energy: -60.582 flat angles P-C4'-P energy: -31.309 tors. eta vs tors. theta energy: -49.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -530.263231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.263231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.263231 (E_RNA) where: Base-Base interactions energy: -298.740 where: short stacking energy: -168.943 Base-Backbone interact. energy: -1.465 local terms energy: -230.058750 where: bonds (distance) C4'-P energy: -51.023 bonds (distance) P-C4' energy: -53.516 flat angles C4'-P-C4' energy: -56.173 flat angles P-C4'-P energy: -37.617 tors. eta vs tors. theta energy: -31.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -312.437992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.437992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.437992 (E_RNA) where: Base-Base interactions energy: -113.843 where: short stacking energy: -101.179 Base-Backbone interact. energy: -1.290 local terms energy: -197.305001 where: bonds (distance) C4'-P energy: -52.107 bonds (distance) P-C4' energy: -55.277 flat angles C4'-P-C4' energy: -47.300 flat angles P-C4'-P energy: -36.715 tors. eta vs tors. theta energy: -5.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -307.247917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.247917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.247917 (E_RNA) where: Base-Base interactions energy: -117.947 where: short stacking energy: -77.624 Base-Backbone interact. energy: 0.241 local terms energy: -189.541121 where: bonds (distance) C4'-P energy: -59.566 bonds (distance) P-C4' energy: -59.936 flat angles C4'-P-C4' energy: -53.940 flat angles P-C4'-P energy: -18.314 tors. eta vs tors. theta energy: 2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1108.084990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.084990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.084990 (E_RNA) where: Base-Base interactions energy: -772.638 where: short stacking energy: -337.748 Base-Backbone interact. energy: -1.914 local terms energy: -333.533172 where: bonds (distance) C4'-P energy: -63.644 bonds (distance) P-C4' energy: -65.245 flat angles C4'-P-C4' energy: -65.361 flat angles P-C4'-P energy: -41.083 tors. eta vs tors. theta energy: -98.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1034.036785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.036785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.036785 (E_RNA) where: Base-Base interactions energy: -691.033 where: short stacking energy: -304.624 Base-Backbone interact. energy: 0.973 local terms energy: -343.976850 where: bonds (distance) C4'-P energy: -64.460 bonds (distance) P-C4' energy: -67.999 flat angles C4'-P-C4' energy: -70.742 flat angles P-C4'-P energy: -49.072 tors. eta vs tors. theta energy: -91.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1021.803245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.803245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.803245 (E_RNA) where: Base-Base interactions energy: -695.812 where: short stacking energy: -304.703 Base-Backbone interact. energy: -0.494 local terms energy: -325.497082 where: bonds (distance) C4'-P energy: -62.840 bonds (distance) P-C4' energy: -61.753 flat angles C4'-P-C4' energy: -74.650 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -83.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1000.070638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.070638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.070638 (E_RNA) where: Base-Base interactions energy: -715.179 where: short stacking energy: -267.340 Base-Backbone interact. energy: 0.173 local terms energy: -285.064584 where: bonds (distance) C4'-P energy: -49.710 bonds (distance) P-C4' energy: -66.709 flat angles C4'-P-C4' energy: -58.438 flat angles P-C4'-P energy: -39.230 tors. eta vs tors. theta energy: -70.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -894.637215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.637215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.637215 (E_RNA) where: Base-Base interactions energy: -601.432 where: short stacking energy: -260.736 Base-Backbone interact. energy: -1.603 local terms energy: -291.602418 where: bonds (distance) C4'-P energy: -60.410 bonds (distance) P-C4' energy: -65.038 flat angles C4'-P-C4' energy: -60.271 flat angles P-C4'-P energy: -37.114 tors. eta vs tors. theta energy: -68.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -718.364477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.364477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.364477 (E_RNA) where: Base-Base interactions energy: -449.236 where: short stacking energy: -201.352 Base-Backbone interact. energy: -0.439 local terms energy: -268.689862 where: bonds (distance) C4'-P energy: -45.411 bonds (distance) P-C4' energy: -63.649 flat angles C4'-P-C4' energy: -63.842 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -47.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -658.998581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.998581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.998581 (E_RNA) where: Base-Base interactions energy: -417.757 where: short stacking energy: -224.740 Base-Backbone interact. energy: 1.637 local terms energy: -242.878859 where: bonds (distance) C4'-P energy: -41.014 bonds (distance) P-C4' energy: -56.856 flat angles C4'-P-C4' energy: -61.387 flat angles P-C4'-P energy: -30.657 tors. eta vs tors. theta energy: -52.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -526.372165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.372165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.372165 (E_RNA) where: Base-Base interactions energy: -292.789 where: short stacking energy: -137.326 Base-Backbone interact. energy: -1.222 local terms energy: -232.361303 where: bonds (distance) C4'-P energy: -55.482 bonds (distance) P-C4' energy: -54.169 flat angles C4'-P-C4' energy: -62.256 flat angles P-C4'-P energy: -37.693 tors. eta vs tors. theta energy: -22.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -321.915244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.915244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.915244 (E_RNA) where: Base-Base interactions energy: -127.750 where: short stacking energy: -108.245 Base-Backbone interact. energy: 0.614 local terms energy: -194.780012 where: bonds (distance) C4'-P energy: -53.723 bonds (distance) P-C4' energy: -53.731 flat angles C4'-P-C4' energy: -52.703 flat angles P-C4'-P energy: -24.692 tors. eta vs tors. theta energy: -9.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -283.708461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.708461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.708461 (E_RNA) where: Base-Base interactions energy: -94.607 where: short stacking energy: -84.858 Base-Backbone interact. energy: 0.332 local terms energy: -189.433160 where: bonds (distance) C4'-P energy: -48.331 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -46.491 flat angles P-C4'-P energy: -44.024 tors. eta vs tors. theta energy: 13.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1103.807304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.807304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.807304 (E_RNA) where: Base-Base interactions energy: -768.021 where: short stacking energy: -331.900 Base-Backbone interact. energy: -1.181 local terms energy: -334.605440 where: bonds (distance) C4'-P energy: -57.462 bonds (distance) P-C4' energy: -68.870 flat angles C4'-P-C4' energy: -70.880 flat angles P-C4'-P energy: -44.196 tors. eta vs tors. theta energy: -93.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1032.961699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.961699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.961699 (E_RNA) where: Base-Base interactions energy: -702.681 where: short stacking energy: -303.030 Base-Backbone interact. energy: -0.443 local terms energy: -329.838355 where: bonds (distance) C4'-P energy: -64.177 bonds (distance) P-C4' energy: -65.677 flat angles C4'-P-C4' energy: -65.882 flat angles P-C4'-P energy: -44.791 tors. eta vs tors. theta energy: -89.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1043.113122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.113122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.113122 (E_RNA) where: Base-Base interactions energy: -733.844 where: short stacking energy: -302.729 Base-Backbone interact. energy: -0.828 local terms energy: -308.441348 where: bonds (distance) C4'-P energy: -58.355 bonds (distance) P-C4' energy: -64.342 flat angles C4'-P-C4' energy: -60.232 flat angles P-C4'-P energy: -40.807 tors. eta vs tors. theta energy: -84.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -961.193534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.193534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.193534 (E_RNA) where: Base-Base interactions energy: -676.985 where: short stacking energy: -273.790 Base-Backbone interact. energy: 0.110 local terms energy: -284.318110 where: bonds (distance) C4'-P energy: -60.593 bonds (distance) P-C4' energy: -62.501 flat angles C4'-P-C4' energy: -61.589 flat angles P-C4'-P energy: -29.053 tors. eta vs tors. theta energy: -70.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -902.516094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.516094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.516094 (E_RNA) where: Base-Base interactions energy: -617.817 where: short stacking energy: -264.569 Base-Backbone interact. energy: -3.403 local terms energy: -281.296678 where: bonds (distance) C4'-P energy: -49.380 bonds (distance) P-C4' energy: -60.221 flat angles C4'-P-C4' energy: -62.412 flat angles P-C4'-P energy: -39.764 tors. eta vs tors. theta energy: -69.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -714.732460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.732460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.732460 (E_RNA) where: Base-Base interactions energy: -438.927 where: short stacking energy: -203.456 Base-Backbone interact. energy: -2.522 local terms energy: -273.282922 where: bonds (distance) C4'-P energy: -54.518 bonds (distance) P-C4' energy: -65.984 flat angles C4'-P-C4' energy: -66.500 flat angles P-C4'-P energy: -42.171 tors. eta vs tors. theta energy: -44.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -662.869373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.869373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.869373 (E_RNA) where: Base-Base interactions energy: -415.725 where: short stacking energy: -174.134 Base-Backbone interact. energy: 2.161 local terms energy: -249.305201 where: bonds (distance) C4'-P energy: -50.903 bonds (distance) P-C4' energy: -62.244 flat angles C4'-P-C4' energy: -56.144 flat angles P-C4'-P energy: -38.219 tors. eta vs tors. theta energy: -41.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -511.252218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.252218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.252218 (E_RNA) where: Base-Base interactions energy: -294.098 where: short stacking energy: -165.690 Base-Backbone interact. energy: -2.108 local terms energy: -215.046251 where: bonds (distance) C4'-P energy: -54.734 bonds (distance) P-C4' energy: -53.036 flat angles C4'-P-C4' energy: -57.072 flat angles P-C4'-P energy: -29.736 tors. eta vs tors. theta energy: -20.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -341.376734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.376734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.376734 (E_RNA) where: Base-Base interactions energy: -169.662 where: short stacking energy: -106.288 Base-Backbone interact. energy: 1.009 local terms energy: -172.723833 where: bonds (distance) C4'-P energy: -47.184 bonds (distance) P-C4' energy: -45.063 flat angles C4'-P-C4' energy: -55.543 flat angles P-C4'-P energy: -32.746 tors. eta vs tors. theta energy: 7.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -301.141956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.141956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.141956 (E_RNA) where: Base-Base interactions energy: -118.173 where: short stacking energy: -84.712 Base-Backbone interact. energy: 2.064 local terms energy: -185.033111 where: bonds (distance) C4'-P energy: -48.161 bonds (distance) P-C4' energy: -59.171 flat angles C4'-P-C4' energy: -40.521 flat angles P-C4'-P energy: -41.956 tors. eta vs tors. theta energy: 4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1126.691612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.691612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.691612 (E_RNA) where: Base-Base interactions energy: -790.450 where: short stacking energy: -336.142 Base-Backbone interact. energy: -2.950 local terms energy: -333.291326 where: bonds (distance) C4'-P energy: -59.655 bonds (distance) P-C4' energy: -63.995 flat angles C4'-P-C4' energy: -68.612 flat angles P-C4'-P energy: -50.578 tors. eta vs tors. theta energy: -90.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1024.558286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.558286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.558286 (E_RNA) where: Base-Base interactions energy: -677.022 where: short stacking energy: -303.614 Base-Backbone interact. energy: -2.472 local terms energy: -345.064590 where: bonds (distance) C4'-P energy: -65.827 bonds (distance) P-C4' energy: -61.162 flat angles C4'-P-C4' energy: -75.080 flat angles P-C4'-P energy: -55.681 tors. eta vs tors. theta energy: -87.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1031.933441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.933441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.933441 (E_RNA) where: Base-Base interactions energy: -718.274 where: short stacking energy: -306.481 Base-Backbone interact. energy: -1.381 local terms energy: -312.277904 where: bonds (distance) C4'-P energy: -65.094 bonds (distance) P-C4' energy: -68.483 flat angles C4'-P-C4' energy: -54.446 flat angles P-C4'-P energy: -40.213 tors. eta vs tors. theta energy: -84.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -971.727608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.727608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.727608 (E_RNA) where: Base-Base interactions energy: -674.677 where: short stacking energy: -282.467 Base-Backbone interact. energy: -1.231 local terms energy: -295.819726 where: bonds (distance) C4'-P energy: -53.816 bonds (distance) P-C4' energy: -59.520 flat angles C4'-P-C4' energy: -66.466 flat angles P-C4'-P energy: -43.766 tors. eta vs tors. theta energy: -72.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -926.445734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.445734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.445734 (E_RNA) where: Base-Base interactions energy: -641.700 where: short stacking energy: -273.513 Base-Backbone interact. energy: -1.808 local terms energy: -282.938164 where: bonds (distance) C4'-P energy: -53.921 bonds (distance) P-C4' energy: -53.560 flat angles C4'-P-C4' energy: -60.785 flat angles P-C4'-P energy: -37.764 tors. eta vs tors. theta energy: -76.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -717.315923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.315923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.315923 (E_RNA) where: Base-Base interactions energy: -444.954 where: short stacking energy: -203.949 Base-Backbone interact. energy: -3.219 local terms energy: -269.143434 where: bonds (distance) C4'-P energy: -59.826 bonds (distance) P-C4' energy: -59.400 flat angles C4'-P-C4' energy: -57.239 flat angles P-C4'-P energy: -41.591 tors. eta vs tors. theta energy: -51.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -675.951814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.951814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.951814 (E_RNA) where: Base-Base interactions energy: -413.716 where: short stacking energy: -186.036 Base-Backbone interact. energy: -0.069 local terms energy: -262.165867 where: bonds (distance) C4'-P energy: -50.737 bonds (distance) P-C4' energy: -63.091 flat angles C4'-P-C4' energy: -58.950 flat angles P-C4'-P energy: -40.300 tors. eta vs tors. theta energy: -49.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -530.609878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.609878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.609878 (E_RNA) where: Base-Base interactions energy: -303.948 where: short stacking energy: -166.357 Base-Backbone interact. energy: -0.279 local terms energy: -226.382984 where: bonds (distance) C4'-P energy: -53.445 bonds (distance) P-C4' energy: -48.445 flat angles C4'-P-C4' energy: -58.133 flat angles P-C4'-P energy: -21.264 tors. eta vs tors. theta energy: -45.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -293.516040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.516040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.516040 (E_RNA) where: Base-Base interactions energy: -117.518 where: short stacking energy: -103.353 Base-Backbone interact. energy: -0.455 local terms energy: -175.542607 where: bonds (distance) C4'-P energy: -47.502 bonds (distance) P-C4' energy: -62.156 flat angles C4'-P-C4' energy: -40.705 flat angles P-C4'-P energy: -23.599 tors. eta vs tors. theta energy: -1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -336.555542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.555542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.555542 (E_RNA) where: Base-Base interactions energy: -151.190 where: short stacking energy: -102.836 Base-Backbone interact. energy: -1.229 local terms energy: -184.135726 where: bonds (distance) C4'-P energy: -55.697 bonds (distance) P-C4' energy: -51.525 flat angles C4'-P-C4' energy: -52.624 flat angles P-C4'-P energy: -27.579 tors. eta vs tors. theta energy: 3.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1128.567765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.567765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.567765 (E_RNA) where: Base-Base interactions energy: -780.079 where: short stacking energy: -339.307 Base-Backbone interact. energy: 0.447 local terms energy: -348.936255 where: bonds (distance) C4'-P energy: -74.535 bonds (distance) P-C4' energy: -65.875 flat angles C4'-P-C4' energy: -73.609 flat angles P-C4'-P energy: -37.858 tors. eta vs tors. theta energy: -97.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1014.633809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.633809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.633809 (E_RNA) where: Base-Base interactions energy: -712.087 where: short stacking energy: -288.326 Base-Backbone interact. energy: -2.123 local terms energy: -300.423841 where: bonds (distance) C4'-P energy: -62.094 bonds (distance) P-C4' energy: -59.440 flat angles C4'-P-C4' energy: -63.920 flat angles P-C4'-P energy: -44.990 tors. eta vs tors. theta energy: -69.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -984.471062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.471062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.471062 (E_RNA) where: Base-Base interactions energy: -669.114 where: short stacking energy: -286.217 Base-Backbone interact. energy: -4.743 local terms energy: -310.614521 where: bonds (distance) C4'-P energy: -60.577 bonds (distance) P-C4' energy: -55.774 flat angles C4'-P-C4' energy: -69.264 flat angles P-C4'-P energy: -38.175 tors. eta vs tors. theta energy: -86.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1000.081140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.081140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.081140 (E_RNA) where: Base-Base interactions energy: -691.215 where: short stacking energy: -295.844 Base-Backbone interact. energy: -0.305 local terms energy: -308.561425 where: bonds (distance) C4'-P energy: -51.448 bonds (distance) P-C4' energy: -62.174 flat angles C4'-P-C4' energy: -74.198 flat angles P-C4'-P energy: -45.092 tors. eta vs tors. theta energy: -75.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -923.706173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.706173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.706173 (E_RNA) where: Base-Base interactions energy: -636.247 where: short stacking energy: -272.185 Base-Backbone interact. energy: -1.526 local terms energy: -285.933157 where: bonds (distance) C4'-P energy: -46.923 bonds (distance) P-C4' energy: -58.733 flat angles C4'-P-C4' energy: -69.353 flat angles P-C4'-P energy: -38.241 tors. eta vs tors. theta energy: -72.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -707.911871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.911871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.911871 (E_RNA) where: Base-Base interactions energy: -437.415 where: short stacking energy: -209.581 Base-Backbone interact. energy: -1.466 local terms energy: -269.030401 where: bonds (distance) C4'-P energy: -45.565 bonds (distance) P-C4' energy: -66.955 flat angles C4'-P-C4' energy: -68.301 flat angles P-C4'-P energy: -44.776 tors. eta vs tors. theta energy: -43.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -719.337308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.337308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.337308 (E_RNA) where: Base-Base interactions energy: -446.758 where: short stacking energy: -226.047 Base-Backbone interact. energy: -1.377 local terms energy: -271.202564 where: bonds (distance) C4'-P energy: -55.293 bonds (distance) P-C4' energy: -58.493 flat angles C4'-P-C4' energy: -60.659 flat angles P-C4'-P energy: -44.856 tors. eta vs tors. theta energy: -51.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -541.483161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.483161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.483161 (E_RNA) where: Base-Base interactions energy: -316.819 where: short stacking energy: -144.088 Base-Backbone interact. energy: -0.444 local terms energy: -224.220176 where: bonds (distance) C4'-P energy: -57.324 bonds (distance) P-C4' energy: -54.339 flat angles C4'-P-C4' energy: -52.707 flat angles P-C4'-P energy: -29.867 tors. eta vs tors. theta energy: -29.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -293.768435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.768435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.768435 (E_RNA) where: Base-Base interactions energy: -113.157 where: short stacking energy: -103.417 Base-Backbone interact. energy: -1.381 local terms energy: -179.230460 where: bonds (distance) C4'-P energy: -49.785 bonds (distance) P-C4' energy: -45.132 flat angles C4'-P-C4' energy: -39.333 flat angles P-C4'-P energy: -33.542 tors. eta vs tors. theta energy: -11.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -310.081884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.081884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.081884 (E_RNA) where: Base-Base interactions energy: -125.509 where: short stacking energy: -85.084 Base-Backbone interact. energy: -0.573 local terms energy: -183.999762 where: bonds (distance) C4'-P energy: -52.435 bonds (distance) P-C4' energy: -54.394 flat angles C4'-P-C4' energy: -51.055 flat angles P-C4'-P energy: -32.201 tors. eta vs tors. theta energy: 6.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1128.108212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.108212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.108212 (E_RNA) where: Base-Base interactions energy: -793.602 where: short stacking energy: -345.457 Base-Backbone interact. energy: 2.180 local terms energy: -336.686843 where: bonds (distance) C4'-P energy: -62.137 bonds (distance) P-C4' energy: -57.273 flat angles C4'-P-C4' energy: -76.840 flat angles P-C4'-P energy: -40.235 tors. eta vs tors. theta energy: -100.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1046.761157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.761157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.761157 (E_RNA) where: Base-Base interactions energy: -710.895 where: short stacking energy: -287.343 Base-Backbone interact. energy: -0.243 local terms energy: -335.623385 where: bonds (distance) C4'-P energy: -63.494 bonds (distance) P-C4' energy: -68.062 flat angles C4'-P-C4' energy: -78.049 flat angles P-C4'-P energy: -47.297 tors. eta vs tors. theta energy: -78.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1016.215051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.215051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.215051 (E_RNA) where: Base-Base interactions energy: -692.705 where: short stacking energy: -294.116 Base-Backbone interact. energy: 0.518 local terms energy: -324.028494 where: bonds (distance) C4'-P energy: -51.198 bonds (distance) P-C4' energy: -66.134 flat angles C4'-P-C4' energy: -71.412 flat angles P-C4'-P energy: -46.829 tors. eta vs tors. theta energy: -88.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -972.573853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.573853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.573853 (E_RNA) where: Base-Base interactions energy: -662.998 where: short stacking energy: -289.643 Base-Backbone interact. energy: -1.797 local terms energy: -307.778515 where: bonds (distance) C4'-P energy: -62.288 bonds (distance) P-C4' energy: -63.938 flat angles C4'-P-C4' energy: -57.867 flat angles P-C4'-P energy: -43.405 tors. eta vs tors. theta energy: -80.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -929.090109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.090109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.090109 (E_RNA) where: Base-Base interactions energy: -621.202 where: short stacking energy: -272.507 Base-Backbone interact. energy: -2.232 local terms energy: -305.656422 where: bonds (distance) C4'-P energy: -68.444 bonds (distance) P-C4' energy: -61.795 flat angles C4'-P-C4' energy: -61.230 flat angles P-C4'-P energy: -32.840 tors. eta vs tors. theta energy: -81.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -746.426766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.426766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.426766 (E_RNA) where: Base-Base interactions energy: -488.170 where: short stacking energy: -249.142 Base-Backbone interact. energy: -1.677 local terms energy: -256.578997 where: bonds (distance) C4'-P energy: -46.967 bonds (distance) P-C4' energy: -43.901 flat angles C4'-P-C4' energy: -61.024 flat angles P-C4'-P energy: -43.489 tors. eta vs tors. theta energy: -61.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -685.294726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.294726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.294726 (E_RNA) where: Base-Base interactions energy: -422.987 where: short stacking energy: -194.804 Base-Backbone interact. energy: 1.815 local terms energy: -264.122170 where: bonds (distance) C4'-P energy: -57.972 bonds (distance) P-C4' energy: -58.115 flat angles C4'-P-C4' energy: -52.175 flat angles P-C4'-P energy: -42.095 tors. eta vs tors. theta energy: -53.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -537.146298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.146298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.146298 (E_RNA) where: Base-Base interactions energy: -320.191 where: short stacking energy: -162.042 Base-Backbone interact. energy: 0.037 local terms energy: -216.991864 where: bonds (distance) C4'-P energy: -54.430 bonds (distance) P-C4' energy: -56.250 flat angles C4'-P-C4' energy: -52.311 flat angles P-C4'-P energy: -27.379 tors. eta vs tors. theta energy: -26.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -324.351300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.351300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.351300 (E_RNA) where: Base-Base interactions energy: -134.633 where: short stacking energy: -84.111 Base-Backbone interact. energy: -1.305 local terms energy: -188.413431 where: bonds (distance) C4'-P energy: -49.137 bonds (distance) P-C4' energy: -59.809 flat angles C4'-P-C4' energy: -48.509 flat angles P-C4'-P energy: -29.563 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -256.442657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.442657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.442657 (E_RNA) where: Base-Base interactions energy: -77.189 where: short stacking energy: -69.563 Base-Backbone interact. energy: 0.641 local terms energy: -179.894283 where: bonds (distance) C4'-P energy: -61.556 bonds (distance) P-C4' energy: -54.690 flat angles C4'-P-C4' energy: -52.790 flat angles P-C4'-P energy: -24.531 tors. eta vs tors. theta energy: 13.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1113.576570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.576570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.576570 (E_RNA) where: Base-Base interactions energy: -775.345 where: short stacking energy: -327.371 Base-Backbone interact. energy: 1.960 local terms energy: -340.190662 where: bonds (distance) C4'-P energy: -55.981 bonds (distance) P-C4' energy: -64.574 flat angles C4'-P-C4' energy: -75.206 flat angles P-C4'-P energy: -42.961 tors. eta vs tors. theta energy: -101.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1045.916850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.916850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.916850 (E_RNA) where: Base-Base interactions energy: -708.760 where: short stacking energy: -307.019 Base-Backbone interact. energy: 0.587 local terms energy: -337.743745 where: bonds (distance) C4'-P energy: -54.767 bonds (distance) P-C4' energy: -69.028 flat angles C4'-P-C4' energy: -69.515 flat angles P-C4'-P energy: -53.418 tors. eta vs tors. theta energy: -91.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1004.453693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.453693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.453693 (E_RNA) where: Base-Base interactions energy: -690.047 where: short stacking energy: -283.518 Base-Backbone interact. energy: -1.320 local terms energy: -313.086828 where: bonds (distance) C4'-P energy: -71.503 bonds (distance) P-C4' energy: -61.210 flat angles C4'-P-C4' energy: -62.105 flat angles P-C4'-P energy: -39.907 tors. eta vs tors. theta energy: -78.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -963.894031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.894031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.894031 (E_RNA) where: Base-Base interactions energy: -630.955 where: short stacking energy: -270.663 Base-Backbone interact. energy: -0.677 local terms energy: -332.262089 where: bonds (distance) C4'-P energy: -60.729 bonds (distance) P-C4' energy: -72.344 flat angles C4'-P-C4' energy: -68.614 flat angles P-C4'-P energy: -44.780 tors. eta vs tors. theta energy: -85.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -895.719410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.719410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.719410 (E_RNA) where: Base-Base interactions energy: -597.154 where: short stacking energy: -242.907 Base-Backbone interact. energy: 0.255 local terms energy: -298.820399 where: bonds (distance) C4'-P energy: -52.694 bonds (distance) P-C4' energy: -60.211 flat angles C4'-P-C4' energy: -64.064 flat angles P-C4'-P energy: -50.290 tors. eta vs tors. theta energy: -71.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -770.267533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.267533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.267533 (E_RNA) where: Base-Base interactions energy: -503.355 where: short stacking energy: -235.019 Base-Backbone interact. energy: 0.294 local terms energy: -267.206615 where: bonds (distance) C4'-P energy: -50.968 bonds (distance) P-C4' energy: -56.511 flat angles C4'-P-C4' energy: -66.873 flat angles P-C4'-P energy: -33.432 tors. eta vs tors. theta energy: -59.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -681.156828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.156828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.156828 (E_RNA) where: Base-Base interactions energy: -428.799 where: short stacking energy: -204.370 Base-Backbone interact. energy: -1.306 local terms energy: -251.052085 where: bonds (distance) C4'-P energy: -49.727 bonds (distance) P-C4' energy: -57.830 flat angles C4'-P-C4' energy: -56.161 flat angles P-C4'-P energy: -39.649 tors. eta vs tors. theta energy: -47.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -605.501524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.501524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.501524 (E_RNA) where: Base-Base interactions energy: -361.637 where: short stacking energy: -184.315 Base-Backbone interact. energy: -1.856 local terms energy: -242.009049 where: bonds (distance) C4'-P energy: -51.041 bonds (distance) P-C4' energy: -58.791 flat angles C4'-P-C4' energy: -64.790 flat angles P-C4'-P energy: -35.019 tors. eta vs tors. theta energy: -32.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -300.747331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.747331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.747331 (E_RNA) where: Base-Base interactions energy: -95.035 where: short stacking energy: -87.560 Base-Backbone interact. energy: -3.263 local terms energy: -202.449435 where: bonds (distance) C4'-P energy: -40.973 bonds (distance) P-C4' energy: -53.572 flat angles C4'-P-C4' energy: -66.364 flat angles P-C4'-P energy: -36.195 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -272.905261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.905261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.905261 (E_RNA) where: Base-Base interactions energy: -107.631 where: short stacking energy: -92.942 Base-Backbone interact. energy: -0.054 local terms energy: -165.220152 where: bonds (distance) C4'-P energy: -41.108 bonds (distance) P-C4' energy: -57.686 flat angles C4'-P-C4' energy: -47.723 flat angles P-C4'-P energy: -21.164 tors. eta vs tors. theta energy: 2.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1101.652954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.652954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.652954 (E_RNA) where: Base-Base interactions energy: -761.262 where: short stacking energy: -323.832 Base-Backbone interact. energy: 3.887 local terms energy: -344.277871 where: bonds (distance) C4'-P energy: -60.012 bonds (distance) P-C4' energy: -65.271 flat angles C4'-P-C4' energy: -75.712 flat angles P-C4'-P energy: -56.369 tors. eta vs tors. theta energy: -86.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1024.217355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.217355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.217355 (E_RNA) where: Base-Base interactions energy: -707.603 where: short stacking energy: -295.912 Base-Backbone interact. energy: -1.413 local terms energy: -315.201389 where: bonds (distance) C4'-P energy: -66.204 bonds (distance) P-C4' energy: -62.529 flat angles C4'-P-C4' energy: -63.332 flat angles P-C4'-P energy: -42.170 tors. eta vs tors. theta energy: -80.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -993.535285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.535285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.535285 (E_RNA) where: Base-Base interactions energy: -668.347 where: short stacking energy: -285.342 Base-Backbone interact. energy: -0.385 local terms energy: -324.803274 where: bonds (distance) C4'-P energy: -61.427 bonds (distance) P-C4' energy: -69.141 flat angles C4'-P-C4' energy: -67.989 flat angles P-C4'-P energy: -52.316 tors. eta vs tors. theta energy: -73.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -958.201098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.201098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.201098 (E_RNA) where: Base-Base interactions energy: -645.554 where: short stacking energy: -280.099 Base-Backbone interact. energy: -0.147 local terms energy: -312.500348 where: bonds (distance) C4'-P energy: -55.155 bonds (distance) P-C4' energy: -62.786 flat angles C4'-P-C4' energy: -64.664 flat angles P-C4'-P energy: -41.999 tors. eta vs tors. theta energy: -87.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -885.417694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.417694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.417694 (E_RNA) where: Base-Base interactions energy: -588.655 where: short stacking energy: -263.732 Base-Backbone interact. energy: -0.903 local terms energy: -295.859629 where: bonds (distance) C4'-P energy: -60.727 bonds (distance) P-C4' energy: -50.019 flat angles C4'-P-C4' energy: -66.089 flat angles P-C4'-P energy: -45.817 tors. eta vs tors. theta energy: -73.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -785.728129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.728129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.728129 (E_RNA) where: Base-Base interactions energy: -506.129 where: short stacking energy: -248.498 Base-Backbone interact. energy: -3.295 local terms energy: -276.304188 where: bonds (distance) C4'-P energy: -57.118 bonds (distance) P-C4' energy: -52.370 flat angles C4'-P-C4' energy: -66.562 flat angles P-C4'-P energy: -30.079 tors. eta vs tors. theta energy: -70.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -721.367990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.367990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.367990 (E_RNA) where: Base-Base interactions energy: -466.171 where: short stacking energy: -206.778 Base-Backbone interact. energy: -1.830 local terms energy: -253.366241 where: bonds (distance) C4'-P energy: -64.277 bonds (distance) P-C4' energy: -57.028 flat angles C4'-P-C4' energy: -57.713 flat angles P-C4'-P energy: -34.536 tors. eta vs tors. theta energy: -39.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -544.318846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.318846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.318846 (E_RNA) where: Base-Base interactions energy: -326.108 where: short stacking energy: -174.066 Base-Backbone interact. energy: -1.101 local terms energy: -217.110273 where: bonds (distance) C4'-P energy: -48.527 bonds (distance) P-C4' energy: -58.718 flat angles C4'-P-C4' energy: -52.790 flat angles P-C4'-P energy: -18.641 tors. eta vs tors. theta energy: -38.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -303.155762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.155762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.155762 (E_RNA) where: Base-Base interactions energy: -115.552 where: short stacking energy: -66.727 Base-Backbone interact. energy: -0.662 local terms energy: -186.941555 where: bonds (distance) C4'-P energy: -56.962 bonds (distance) P-C4' energy: -53.337 flat angles C4'-P-C4' energy: -56.154 flat angles P-C4'-P energy: -28.519 tors. eta vs tors. theta energy: 8.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -266.977167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.977167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.977167 (E_RNA) where: Base-Base interactions energy: -89.020 where: short stacking energy: -82.608 Base-Backbone interact. energy: -0.988 local terms energy: -176.968603 where: bonds (distance) C4'-P energy: -60.273 bonds (distance) P-C4' energy: -61.337 flat angles C4'-P-C4' energy: -46.310 flat angles P-C4'-P energy: -13.562 tors. eta vs tors. theta energy: 4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1125.581990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.581990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.581990 (E_RNA) where: Base-Base interactions energy: -784.018 where: short stacking energy: -323.270 Base-Backbone interact. energy: -1.818 local terms energy: -339.746765 where: bonds (distance) C4'-P energy: -57.092 bonds (distance) P-C4' energy: -60.138 flat angles C4'-P-C4' energy: -70.086 flat angles P-C4'-P energy: -54.423 tors. eta vs tors. theta energy: -98.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1047.399809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.399809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.399809 (E_RNA) where: Base-Base interactions energy: -719.630 where: short stacking energy: -296.175 Base-Backbone interact. energy: -0.714 local terms energy: -327.055648 where: bonds (distance) C4'-P energy: -56.482 bonds (distance) P-C4' energy: -63.396 flat angles C4'-P-C4' energy: -73.369 flat angles P-C4'-P energy: -44.212 tors. eta vs tors. theta energy: -89.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1022.124927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.124927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.124927 (E_RNA) where: Base-Base interactions energy: -704.228 where: short stacking energy: -304.000 Base-Backbone interact. energy: 6.927 local terms energy: -324.823076 where: bonds (distance) C4'-P energy: -65.814 bonds (distance) P-C4' energy: -65.148 flat angles C4'-P-C4' energy: -69.700 flat angles P-C4'-P energy: -43.892 tors. eta vs tors. theta energy: -80.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -970.830890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.830890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.830890 (E_RNA) where: Base-Base interactions energy: -636.768 where: short stacking energy: -284.957 Base-Backbone interact. energy: -1.821 local terms energy: -332.241233 where: bonds (distance) C4'-P energy: -61.093 bonds (distance) P-C4' energy: -69.551 flat angles C4'-P-C4' energy: -73.325 flat angles P-C4'-P energy: -41.258 tors. eta vs tors. theta energy: -87.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -924.798624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.798624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.798624 (E_RNA) where: Base-Base interactions energy: -601.509 where: short stacking energy: -283.471 Base-Backbone interact. energy: -2.120 local terms energy: -321.169406 where: bonds (distance) C4'-P energy: -57.347 bonds (distance) P-C4' energy: -67.060 flat angles C4'-P-C4' energy: -71.149 flat angles P-C4'-P energy: -38.617 tors. eta vs tors. theta energy: -86.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -804.339081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.339081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.339081 (E_RNA) where: Base-Base interactions energy: -506.476 where: short stacking energy: -235.984 Base-Backbone interact. energy: -1.981 local terms energy: -295.882653 where: bonds (distance) C4'-P energy: -50.298 bonds (distance) P-C4' energy: -66.029 flat angles C4'-P-C4' energy: -73.579 flat angles P-C4'-P energy: -40.637 tors. eta vs tors. theta energy: -65.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -756.784647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.784647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.784647 (E_RNA) where: Base-Base interactions energy: -507.024 where: short stacking energy: -229.722 Base-Backbone interact. energy: -1.252 local terms energy: -248.508158 where: bonds (distance) C4'-P energy: -35.039 bonds (distance) P-C4' energy: -63.908 flat angles C4'-P-C4' energy: -60.667 flat angles P-C4'-P energy: -36.216 tors. eta vs tors. theta energy: -52.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -525.234685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.234685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.234685 (E_RNA) where: Base-Base interactions energy: -299.716 where: short stacking energy: -167.174 Base-Backbone interact. energy: -1.793 local terms energy: -223.726008 where: bonds (distance) C4'-P energy: -60.619 bonds (distance) P-C4' energy: -43.290 flat angles C4'-P-C4' energy: -39.598 flat angles P-C4'-P energy: -36.598 tors. eta vs tors. theta energy: -43.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -304.609824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.609824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.609824 (E_RNA) where: Base-Base interactions energy: -103.823 where: short stacking energy: -89.352 Base-Backbone interact. energy: -1.216 local terms energy: -199.570376 where: bonds (distance) C4'-P energy: -64.119 bonds (distance) P-C4' energy: -68.261 flat angles C4'-P-C4' energy: -37.972 flat angles P-C4'-P energy: -29.137 tors. eta vs tors. theta energy: -0.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -261.798735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.798735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.798735 (E_RNA) where: Base-Base interactions energy: -86.025 where: short stacking energy: -82.115 Base-Backbone interact. energy: -0.708 local terms energy: -175.065425 where: bonds (distance) C4'-P energy: -44.528 bonds (distance) P-C4' energy: -57.267 flat angles C4'-P-C4' energy: -48.396 flat angles P-C4'-P energy: -31.413 tors. eta vs tors. theta energy: 6.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1145.939525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.939525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.939525 (E_RNA) where: Base-Base interactions energy: -798.313 where: short stacking energy: -339.063 Base-Backbone interact. energy: -3.126 local terms energy: -344.500008 where: bonds (distance) C4'-P energy: -58.686 bonds (distance) P-C4' energy: -64.185 flat angles C4'-P-C4' energy: -72.158 flat angles P-C4'-P energy: -47.627 tors. eta vs tors. theta energy: -101.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1047.023816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.023816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.023816 (E_RNA) where: Base-Base interactions energy: -720.886 where: short stacking energy: -297.331 Base-Backbone interact. energy: -1.108 local terms energy: -325.030071 where: bonds (distance) C4'-P energy: -56.721 bonds (distance) P-C4' energy: -64.310 flat angles C4'-P-C4' energy: -70.564 flat angles P-C4'-P energy: -50.936 tors. eta vs tors. theta energy: -82.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1012.388935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.388935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.388935 (E_RNA) where: Base-Base interactions energy: -676.612 where: short stacking energy: -300.779 Base-Backbone interact. energy: -0.972 local terms energy: -334.805246 where: bonds (distance) C4'-P energy: -59.726 bonds (distance) P-C4' energy: -62.912 flat angles C4'-P-C4' energy: -75.715 flat angles P-C4'-P energy: -51.030 tors. eta vs tors. theta energy: -85.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -988.869934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.869934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.869934 (E_RNA) where: Base-Base interactions energy: -680.978 where: short stacking energy: -292.140 Base-Backbone interact. energy: 0.107 local terms energy: -307.999422 where: bonds (distance) C4'-P energy: -63.440 bonds (distance) P-C4' energy: -62.960 flat angles C4'-P-C4' energy: -60.475 flat angles P-C4'-P energy: -43.166 tors. eta vs tors. theta energy: -77.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -906.715466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.715466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.715466 (E_RNA) where: Base-Base interactions energy: -593.463 where: short stacking energy: -260.535 Base-Backbone interact. energy: -2.336 local terms energy: -310.916662 where: bonds (distance) C4'-P energy: -59.151 bonds (distance) P-C4' energy: -61.568 flat angles C4'-P-C4' energy: -63.723 flat angles P-C4'-P energy: -41.222 tors. eta vs tors. theta energy: -85.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -836.347644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.347644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.347644 (E_RNA) where: Base-Base interactions energy: -531.930 where: short stacking energy: -263.991 Base-Backbone interact. energy: -1.093 local terms energy: -303.324422 where: bonds (distance) C4'-P energy: -54.399 bonds (distance) P-C4' energy: -56.301 flat angles C4'-P-C4' energy: -68.590 flat angles P-C4'-P energy: -48.430 tors. eta vs tors. theta energy: -75.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -750.689132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.689132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.689132 (E_RNA) where: Base-Base interactions energy: -490.700 where: short stacking energy: -212.963 Base-Backbone interact. energy: -0.690 local terms energy: -259.299210 where: bonds (distance) C4'-P energy: -61.026 bonds (distance) P-C4' energy: -56.347 flat angles C4'-P-C4' energy: -56.845 flat angles P-C4'-P energy: -40.169 tors. eta vs tors. theta energy: -44.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -526.074604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.074604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.074604 (E_RNA) where: Base-Base interactions energy: -311.013 where: short stacking energy: -160.209 Base-Backbone interact. energy: -1.959 local terms energy: -213.102624 where: bonds (distance) C4'-P energy: -50.149 bonds (distance) P-C4' energy: -53.133 flat angles C4'-P-C4' energy: -41.529 flat angles P-C4'-P energy: -39.620 tors. eta vs tors. theta energy: -28.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -297.444887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.444887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.444887 (E_RNA) where: Base-Base interactions energy: -110.569 where: short stacking energy: -79.114 Base-Backbone interact. energy: 0.055 local terms energy: -186.930848 where: bonds (distance) C4'-P energy: -53.974 bonds (distance) P-C4' energy: -64.853 flat angles C4'-P-C4' energy: -55.880 flat angles P-C4'-P energy: -26.322 tors. eta vs tors. theta energy: 14.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -292.700830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.700830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.700830 (E_RNA) where: Base-Base interactions energy: -124.306 where: short stacking energy: -99.266 Base-Backbone interact. energy: -1.529 local terms energy: -166.865468 where: bonds (distance) C4'-P energy: -53.619 bonds (distance) P-C4' energy: -55.379 flat angles C4'-P-C4' energy: -44.661 flat angles P-C4'-P energy: -21.924 tors. eta vs tors. theta energy: 8.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1112.465197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.465197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.465197 (E_RNA) where: Base-Base interactions energy: -764.456 where: short stacking energy: -331.922 Base-Backbone interact. energy: -3.212 local terms energy: -344.796594 where: bonds (distance) C4'-P energy: -56.796 bonds (distance) P-C4' energy: -63.349 flat angles C4'-P-C4' energy: -73.994 flat angles P-C4'-P energy: -53.206 tors. eta vs tors. theta energy: -97.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1059.012360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.012360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.012360 (E_RNA) where: Base-Base interactions energy: -740.536 where: short stacking energy: -315.178 Base-Backbone interact. energy: -2.327 local terms energy: -316.148611 where: bonds (distance) C4'-P energy: -48.553 bonds (distance) P-C4' energy: -62.117 flat angles C4'-P-C4' energy: -71.985 flat angles P-C4'-P energy: -45.848 tors. eta vs tors. theta energy: -87.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -997.226591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.226591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.226591 (E_RNA) where: Base-Base interactions energy: -666.583 where: short stacking energy: -310.860 Base-Backbone interact. energy: -1.387 local terms energy: -329.256701 where: bonds (distance) C4'-P energy: -64.789 bonds (distance) P-C4' energy: -55.290 flat angles C4'-P-C4' energy: -64.817 flat angles P-C4'-P energy: -43.313 tors. eta vs tors. theta energy: -101.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -975.651971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.651971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.651971 (E_RNA) where: Base-Base interactions energy: -678.099 where: short stacking energy: -298.623 Base-Backbone interact. energy: -2.103 local terms energy: -295.449919 where: bonds (distance) C4'-P energy: -40.760 bonds (distance) P-C4' energy: -62.957 flat angles C4'-P-C4' energy: -73.256 flat angles P-C4'-P energy: -45.798 tors. eta vs tors. theta energy: -72.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -879.065859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.065859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.065859 (E_RNA) where: Base-Base interactions energy: -590.086 where: short stacking energy: -269.762 Base-Backbone interact. energy: 2.474 local terms energy: -291.453668 where: bonds (distance) C4'-P energy: -58.554 bonds (distance) P-C4' energy: -60.783 flat angles C4'-P-C4' energy: -67.742 flat angles P-C4'-P energy: -36.736 tors. eta vs tors. theta energy: -67.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -800.594805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.594805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.594805 (E_RNA) where: Base-Base interactions energy: -511.700 where: short stacking energy: -248.628 Base-Backbone interact. energy: 0.114 local terms energy: -289.009222 where: bonds (distance) C4'-P energy: -54.602 bonds (distance) P-C4' energy: -53.141 flat angles C4'-P-C4' energy: -67.066 flat angles P-C4'-P energy: -41.075 tors. eta vs tors. theta energy: -73.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -761.703446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.703446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.703446 (E_RNA) where: Base-Base interactions energy: -492.036 where: short stacking energy: -220.299 Base-Backbone interact. energy: -0.412 local terms energy: -269.255444 where: bonds (distance) C4'-P energy: -53.535 bonds (distance) P-C4' energy: -62.761 flat angles C4'-P-C4' energy: -63.090 flat angles P-C4'-P energy: -32.980 tors. eta vs tors. theta energy: -56.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -542.820329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.820329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.820329 (E_RNA) where: Base-Base interactions energy: -330.842 where: short stacking energy: -173.145 Base-Backbone interact. energy: -0.312 local terms energy: -211.666969 where: bonds (distance) C4'-P energy: -52.801 bonds (distance) P-C4' energy: -61.658 flat angles C4'-P-C4' energy: -49.903 flat angles P-C4'-P energy: -15.933 tors. eta vs tors. theta energy: -31.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -308.290893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.290893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.290893 (E_RNA) where: Base-Base interactions energy: -125.904 where: short stacking energy: -91.387 Base-Backbone interact. energy: -1.506 local terms energy: -180.880413 where: bonds (distance) C4'-P energy: -56.096 bonds (distance) P-C4' energy: -56.593 flat angles C4'-P-C4' energy: -40.926 flat angles P-C4'-P energy: -27.592 tors. eta vs tors. theta energy: 0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -292.364479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.364479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.364479 (E_RNA) where: Base-Base interactions energy: -120.171 where: short stacking energy: -105.879 Base-Backbone interact. energy: 1.837 local terms energy: -174.030513 where: bonds (distance) C4'-P energy: -69.205 bonds (distance) P-C4' energy: -35.533 flat angles C4'-P-C4' energy: -27.508 flat angles P-C4'-P energy: -28.015 tors. eta vs tors. theta energy: -13.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1130.620883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.620883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.620883 (E_RNA) where: Base-Base interactions energy: -789.469 where: short stacking energy: -323.657 Base-Backbone interact. energy: -3.706 local terms energy: -337.446177 where: bonds (distance) C4'-P energy: -67.272 bonds (distance) P-C4' energy: -54.947 flat angles C4'-P-C4' energy: -69.630 flat angles P-C4'-P energy: -50.700 tors. eta vs tors. theta energy: -94.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1049.416517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.416517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.416517 (E_RNA) where: Base-Base interactions energy: -708.526 where: short stacking energy: -290.982 Base-Backbone interact. energy: -0.422 local terms energy: -340.469040 where: bonds (distance) C4'-P energy: -57.281 bonds (distance) P-C4' energy: -70.932 flat angles C4'-P-C4' energy: -73.990 flat angles P-C4'-P energy: -52.878 tors. eta vs tors. theta energy: -85.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -982.197836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.197836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.197836 (E_RNA) where: Base-Base interactions energy: -655.094 where: short stacking energy: -290.246 Base-Backbone interact. energy: -0.801 local terms energy: -326.302694 where: bonds (distance) C4'-P energy: -69.802 bonds (distance) P-C4' energy: -65.124 flat angles C4'-P-C4' energy: -71.257 flat angles P-C4'-P energy: -37.164 tors. eta vs tors. theta energy: -82.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -974.672898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.672898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.672898 (E_RNA) where: Base-Base interactions energy: -670.000 where: short stacking energy: -279.056 Base-Backbone interact. energy: -0.320 local terms energy: -304.352993 where: bonds (distance) C4'-P energy: -58.630 bonds (distance) P-C4' energy: -58.328 flat angles C4'-P-C4' energy: -70.015 flat angles P-C4'-P energy: -48.441 tors. eta vs tors. theta energy: -68.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -900.061758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.061758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.061758 (E_RNA) where: Base-Base interactions energy: -611.111 where: short stacking energy: -279.030 Base-Backbone interact. energy: -0.600 local terms energy: -288.350337 where: bonds (distance) C4'-P energy: -50.839 bonds (distance) P-C4' energy: -50.512 flat angles C4'-P-C4' energy: -63.158 flat angles P-C4'-P energy: -39.524 tors. eta vs tors. theta energy: -84.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -740.025783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.025783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.025783 (E_RNA) where: Base-Base interactions energy: -468.277 where: short stacking energy: -220.180 Base-Backbone interact. energy: 0.633 local terms energy: -272.381722 where: bonds (distance) C4'-P energy: -64.263 bonds (distance) P-C4' energy: -60.852 flat angles C4'-P-C4' energy: -60.530 flat angles P-C4'-P energy: -30.497 tors. eta vs tors. theta energy: -56.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -753.535128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.535128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.535128 (E_RNA) where: Base-Base interactions energy: -504.659 where: short stacking energy: -241.012 Base-Backbone interact. energy: 1.803 local terms energy: -250.679647 where: bonds (distance) C4'-P energy: -37.804 bonds (distance) P-C4' energy: -51.916 flat angles C4'-P-C4' energy: -63.000 flat angles P-C4'-P energy: -39.269 tors. eta vs tors. theta energy: -58.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -523.728513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.728513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.728513 (E_RNA) where: Base-Base interactions energy: -304.726 where: short stacking energy: -149.754 Base-Backbone interact. energy: 2.396 local terms energy: -221.399024 where: bonds (distance) C4'-P energy: -52.308 bonds (distance) P-C4' energy: -53.872 flat angles C4'-P-C4' energy: -52.461 flat angles P-C4'-P energy: -44.042 tors. eta vs tors. theta energy: -18.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -316.923837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.923837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.923837 (E_RNA) where: Base-Base interactions energy: -143.090 where: short stacking energy: -98.097 Base-Backbone interact. energy: 5.024 local terms energy: -178.857941 where: bonds (distance) C4'-P energy: -55.282 bonds (distance) P-C4' energy: -48.787 flat angles C4'-P-C4' energy: -38.737 flat angles P-C4'-P energy: -29.849 tors. eta vs tors. theta energy: -6.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -255.154324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.154324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.154324 (E_RNA) where: Base-Base interactions energy: -103.290 where: short stacking energy: -92.871 Base-Backbone interact. energy: -0.164 local terms energy: -151.700270 where: bonds (distance) C4'-P energy: -49.295 bonds (distance) P-C4' energy: -42.897 flat angles C4'-P-C4' energy: -43.959 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -6.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1101.690311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.690311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.690311 (E_RNA) where: Base-Base interactions energy: -773.167 where: short stacking energy: -324.679 Base-Backbone interact. energy: -0.813 local terms energy: -327.710332 where: bonds (distance) C4'-P energy: -57.415 bonds (distance) P-C4' energy: -66.822 flat angles C4'-P-C4' energy: -65.627 flat angles P-C4'-P energy: -46.707 tors. eta vs tors. theta energy: -91.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1014.514289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.514289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.514289 (E_RNA) where: Base-Base interactions energy: -686.625 where: short stacking energy: -305.114 Base-Backbone interact. energy: -0.580 local terms energy: -327.309890 where: bonds (distance) C4'-P energy: -57.919 bonds (distance) P-C4' energy: -68.277 flat angles C4'-P-C4' energy: -63.713 flat angles P-C4'-P energy: -47.273 tors. eta vs tors. theta energy: -90.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1018.432895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.432895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.432895 (E_RNA) where: Base-Base interactions energy: -687.871 where: short stacking energy: -286.553 Base-Backbone interact. energy: -1.308 local terms energy: -329.253202 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -68.640 flat angles C4'-P-C4' energy: -69.492 flat angles P-C4'-P energy: -46.824 tors. eta vs tors. theta energy: -83.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -972.973639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.973639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.973639 (E_RNA) where: Base-Base interactions energy: -670.093 where: short stacking energy: -286.784 Base-Backbone interact. energy: -1.191 local terms energy: -301.689627 where: bonds (distance) C4'-P energy: -66.537 bonds (distance) P-C4' energy: -50.308 flat angles C4'-P-C4' energy: -65.364 flat angles P-C4'-P energy: -44.427 tors. eta vs tors. theta energy: -75.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -922.521421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.521421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.521421 (E_RNA) where: Base-Base interactions energy: -626.382 where: short stacking energy: -259.319 Base-Backbone interact. energy: -1.983 local terms energy: -294.156051 where: bonds (distance) C4'-P energy: -53.883 bonds (distance) P-C4' energy: -63.038 flat angles C4'-P-C4' energy: -61.305 flat angles P-C4'-P energy: -40.932 tors. eta vs tors. theta energy: -74.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -777.944796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.944796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.944796 (E_RNA) where: Base-Base interactions energy: -522.544 where: short stacking energy: -238.088 Base-Backbone interact. energy: -1.202 local terms energy: -254.198819 where: bonds (distance) C4'-P energy: -54.857 bonds (distance) P-C4' energy: -53.170 flat angles C4'-P-C4' energy: -57.602 flat angles P-C4'-P energy: -37.639 tors. eta vs tors. theta energy: -50.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -672.605533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.605533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.605533 (E_RNA) where: Base-Base interactions energy: -387.819 where: short stacking energy: -188.953 Base-Backbone interact. energy: -1.313 local terms energy: -283.473213 where: bonds (distance) C4'-P energy: -68.377 bonds (distance) P-C4' energy: -67.271 flat angles C4'-P-C4' energy: -60.266 flat angles P-C4'-P energy: -43.414 tors. eta vs tors. theta energy: -44.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -517.824528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.824528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.824528 (E_RNA) where: Base-Base interactions energy: -293.830 where: short stacking energy: -152.015 Base-Backbone interact. energy: -0.289 local terms energy: -223.705317 where: bonds (distance) C4'-P energy: -51.784 bonds (distance) P-C4' energy: -59.727 flat angles C4'-P-C4' energy: -61.435 flat angles P-C4'-P energy: -20.843 tors. eta vs tors. theta energy: -29.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -309.151684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.151684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.151684 (E_RNA) where: Base-Base interactions energy: -110.795 where: short stacking energy: -96.017 Base-Backbone interact. energy: -0.639 local terms energy: -197.717792 where: bonds (distance) C4'-P energy: -47.406 bonds (distance) P-C4' energy: -54.360 flat angles C4'-P-C4' energy: -59.836 flat angles P-C4'-P energy: -37.429 tors. eta vs tors. theta energy: 1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -260.574331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.574331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.574331 (E_RNA) where: Base-Base interactions energy: -86.275 where: short stacking energy: -78.662 Base-Backbone interact. energy: -0.197 local terms energy: -174.102326 where: bonds (distance) C4'-P energy: -44.122 bonds (distance) P-C4' energy: -56.865 flat angles C4'-P-C4' energy: -59.953 flat angles P-C4'-P energy: -21.939 tors. eta vs tors. theta energy: 8.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1120.217941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.217941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.217941 (E_RNA) where: Base-Base interactions energy: -786.723 where: short stacking energy: -331.563 Base-Backbone interact. energy: -1.029 local terms energy: -332.465762 where: bonds (distance) C4'-P energy: -62.234 bonds (distance) P-C4' energy: -58.984 flat angles C4'-P-C4' energy: -66.938 flat angles P-C4'-P energy: -46.078 tors. eta vs tors. theta energy: -98.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1026.359421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.359421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.359421 (E_RNA) where: Base-Base interactions energy: -698.576 where: short stacking energy: -307.088 Base-Backbone interact. energy: -1.303 local terms energy: -326.480186 where: bonds (distance) C4'-P energy: -67.989 bonds (distance) P-C4' energy: -60.222 flat angles C4'-P-C4' energy: -63.451 flat angles P-C4'-P energy: -48.629 tors. eta vs tors. theta energy: -86.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1029.382126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.382126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.382126 (E_RNA) where: Base-Base interactions energy: -695.751 where: short stacking energy: -304.466 Base-Backbone interact. energy: -1.963 local terms energy: -331.668056 where: bonds (distance) C4'-P energy: -64.191 bonds (distance) P-C4' energy: -65.315 flat angles C4'-P-C4' energy: -71.874 flat angles P-C4'-P energy: -38.857 tors. eta vs tors. theta energy: -91.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -969.515616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.515616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.515616 (E_RNA) where: Base-Base interactions energy: -667.690 where: short stacking energy: -272.641 Base-Backbone interact. energy: -2.663 local terms energy: -299.163213 where: bonds (distance) C4'-P energy: -45.729 bonds (distance) P-C4' energy: -68.119 flat angles C4'-P-C4' energy: -67.149 flat angles P-C4'-P energy: -49.501 tors. eta vs tors. theta energy: -68.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -924.638704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.638704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.638704 (E_RNA) where: Base-Base interactions energy: -628.426 where: short stacking energy: -270.559 Base-Backbone interact. energy: -2.151 local terms energy: -294.061303 where: bonds (distance) C4'-P energy: -53.387 bonds (distance) P-C4' energy: -53.124 flat angles C4'-P-C4' energy: -71.498 flat angles P-C4'-P energy: -37.761 tors. eta vs tors. theta energy: -78.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -808.676160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.676160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.676160 (E_RNA) where: Base-Base interactions energy: -521.175 where: short stacking energy: -237.451 Base-Backbone interact. energy: -1.634 local terms energy: -285.867403 where: bonds (distance) C4'-P energy: -55.330 bonds (distance) P-C4' energy: -62.387 flat angles C4'-P-C4' energy: -58.331 flat angles P-C4'-P energy: -45.246 tors. eta vs tors. theta energy: -64.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -691.332434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.332434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.332434 (E_RNA) where: Base-Base interactions energy: -444.889 where: short stacking energy: -202.380 Base-Backbone interact. energy: -0.250 local terms energy: -246.193631 where: bonds (distance) C4'-P energy: -37.387 bonds (distance) P-C4' energy: -67.109 flat angles C4'-P-C4' energy: -50.342 flat angles P-C4'-P energy: -34.811 tors. eta vs tors. theta energy: -56.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -521.600390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.600390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.600390 (E_RNA) where: Base-Base interactions energy: -284.120 where: short stacking energy: -140.472 Base-Backbone interact. energy: -0.753 local terms energy: -236.727288 where: bonds (distance) C4'-P energy: -57.870 bonds (distance) P-C4' energy: -62.691 flat angles C4'-P-C4' energy: -53.732 flat angles P-C4'-P energy: -40.844 tors. eta vs tors. theta energy: -21.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -282.865354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.865354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.865354 (E_RNA) where: Base-Base interactions energy: -95.880 where: short stacking energy: -74.249 Base-Backbone interact. energy: 1.698 local terms energy: -188.684082 where: bonds (distance) C4'-P energy: -39.044 bonds (distance) P-C4' energy: -69.115 flat angles C4'-P-C4' energy: -57.371 flat angles P-C4'-P energy: -29.502 tors. eta vs tors. theta energy: 6.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -274.485685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.485685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.485685 (E_RNA) where: Base-Base interactions energy: -101.338 where: short stacking energy: -80.587 Base-Backbone interact. energy: -1.010 local terms energy: -172.138029 where: bonds (distance) C4'-P energy: -52.789 bonds (distance) P-C4' energy: -61.862 flat angles C4'-P-C4' energy: -50.699 flat angles P-C4'-P energy: -15.916 tors. eta vs tors. theta energy: 9.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1115.988634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.988634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.988634 (E_RNA) where: Base-Base interactions energy: -773.726 where: short stacking energy: -322.706 Base-Backbone interact. energy: 0.239 local terms energy: -342.501128 where: bonds (distance) C4'-P energy: -59.572 bonds (distance) P-C4' energy: -62.521 flat angles C4'-P-C4' energy: -73.088 flat angles P-C4'-P energy: -51.097 tors. eta vs tors. theta energy: -96.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1032.752782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.752782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.752782 (E_RNA) where: Base-Base interactions energy: -709.357 where: short stacking energy: -291.361 Base-Backbone interact. energy: 0.032 local terms energy: -323.427925 where: bonds (distance) C4'-P energy: -63.249 bonds (distance) P-C4' energy: -62.587 flat angles C4'-P-C4' energy: -58.274 flat angles P-C4'-P energy: -51.442 tors. eta vs tors. theta energy: -87.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1021.035855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.035855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.035855 (E_RNA) where: Base-Base interactions energy: -693.832 where: short stacking energy: -304.796 Base-Backbone interact. energy: -1.287 local terms energy: -325.916541 where: bonds (distance) C4'-P energy: -63.241 bonds (distance) P-C4' energy: -60.839 flat angles C4'-P-C4' energy: -71.064 flat angles P-C4'-P energy: -38.548 tors. eta vs tors. theta energy: -92.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -964.650152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.650152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.650152 (E_RNA) where: Base-Base interactions energy: -675.332 where: short stacking energy: -266.038 Base-Backbone interact. energy: 0.727 local terms energy: -290.045370 where: bonds (distance) C4'-P energy: -53.873 bonds (distance) P-C4' energy: -46.596 flat angles C4'-P-C4' energy: -63.927 flat angles P-C4'-P energy: -45.089 tors. eta vs tors. theta energy: -80.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -916.412332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.412332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.412332 (E_RNA) where: Base-Base interactions energy: -613.445 where: short stacking energy: -275.947 Base-Backbone interact. energy: -2.105 local terms energy: -300.862131 where: bonds (distance) C4'-P energy: -60.815 bonds (distance) P-C4' energy: -60.333 flat angles C4'-P-C4' energy: -57.060 flat angles P-C4'-P energy: -36.222 tors. eta vs tors. theta energy: -86.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -778.573654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.573654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.573654 (E_RNA) where: Base-Base interactions energy: -524.406 where: short stacking energy: -250.553 Base-Backbone interact. energy: -2.660 local terms energy: -251.507751 where: bonds (distance) C4'-P energy: -50.649 bonds (distance) P-C4' energy: -54.390 flat angles C4'-P-C4' energy: -60.941 flat angles P-C4'-P energy: -32.516 tors. eta vs tors. theta energy: -53.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -693.782788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.782788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.782788 (E_RNA) where: Base-Base interactions energy: -438.228 where: short stacking energy: -227.075 Base-Backbone interact. energy: 4.993 local terms energy: -260.547669 where: bonds (distance) C4'-P energy: -53.411 bonds (distance) P-C4' energy: -48.278 flat angles C4'-P-C4' energy: -64.754 flat angles P-C4'-P energy: -40.864 tors. eta vs tors. theta energy: -53.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -515.319840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.319840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.319840 (E_RNA) where: Base-Base interactions energy: -300.605 where: short stacking energy: -163.628 Base-Backbone interact. energy: 0.300 local terms energy: -215.014512 where: bonds (distance) C4'-P energy: -50.590 bonds (distance) P-C4' energy: -51.391 flat angles C4'-P-C4' energy: -60.590 flat angles P-C4'-P energy: -32.032 tors. eta vs tors. theta energy: -20.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -293.122919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.122919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.122919 (E_RNA) where: Base-Base interactions energy: -100.479 where: short stacking energy: -91.190 Base-Backbone interact. energy: -2.278 local terms energy: -190.366137 where: bonds (distance) C4'-P energy: -53.056 bonds (distance) P-C4' energy: -63.807 flat angles C4'-P-C4' energy: -50.142 flat angles P-C4'-P energy: -28.390 tors. eta vs tors. theta energy: 5.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -269.865236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.865236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.865236 (E_RNA) where: Base-Base interactions energy: -104.839 where: short stacking energy: -69.659 Base-Backbone interact. energy: 0.807 local terms energy: -165.833255 where: bonds (distance) C4'-P energy: -55.267 bonds (distance) P-C4' energy: -51.504 flat angles C4'-P-C4' energy: -40.719 flat angles P-C4'-P energy: -26.076 tors. eta vs tors. theta energy: 7.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1123.963238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.963238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.963238 (E_RNA) where: Base-Base interactions energy: -761.951 where: short stacking energy: -327.624 Base-Backbone interact. energy: -2.183 local terms energy: -359.829397 where: bonds (distance) C4'-P energy: -68.420 bonds (distance) P-C4' energy: -66.208 flat angles C4'-P-C4' energy: -70.833 flat angles P-C4'-P energy: -55.683 tors. eta vs tors. theta energy: -98.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1075.979568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.979568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.979568 (E_RNA) where: Base-Base interactions energy: -745.198 where: short stacking energy: -308.435 Base-Backbone interact. energy: -2.110 local terms energy: -328.671155 where: bonds (distance) C4'-P energy: -63.664 bonds (distance) P-C4' energy: -59.897 flat angles C4'-P-C4' energy: -68.283 flat angles P-C4'-P energy: -45.015 tors. eta vs tors. theta energy: -91.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1020.360538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.360538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.360538 (E_RNA) where: Base-Base interactions energy: -691.307 where: short stacking energy: -299.561 Base-Backbone interact. energy: 1.479 local terms energy: -330.532234 where: bonds (distance) C4'-P energy: -60.499 bonds (distance) P-C4' energy: -64.994 flat angles C4'-P-C4' energy: -70.153 flat angles P-C4'-P energy: -45.189 tors. eta vs tors. theta energy: -89.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -980.189973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.189973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.189973 (E_RNA) where: Base-Base interactions energy: -680.279 where: short stacking energy: -293.094 Base-Backbone interact. energy: -1.441 local terms energy: -298.469701 where: bonds (distance) C4'-P energy: -66.095 bonds (distance) P-C4' energy: -61.782 flat angles C4'-P-C4' energy: -56.510 flat angles P-C4'-P energy: -36.993 tors. eta vs tors. theta energy: -77.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -950.698634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.698634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.698634 (E_RNA) where: Base-Base interactions energy: -646.912 where: short stacking energy: -257.847 Base-Backbone interact. energy: -0.771 local terms energy: -303.016191 where: bonds (distance) C4'-P energy: -46.180 bonds (distance) P-C4' energy: -63.773 flat angles C4'-P-C4' energy: -65.847 flat angles P-C4'-P energy: -46.314 tors. eta vs tors. theta energy: -80.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -812.466609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.466609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.466609 (E_RNA) where: Base-Base interactions energy: -533.097 where: short stacking energy: -258.191 Base-Backbone interact. energy: -1.593 local terms energy: -277.776147 where: bonds (distance) C4'-P energy: -52.069 bonds (distance) P-C4' energy: -56.083 flat angles C4'-P-C4' energy: -60.316 flat angles P-C4'-P energy: -45.691 tors. eta vs tors. theta energy: -63.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -679.527937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.527937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.527937 (E_RNA) where: Base-Base interactions energy: -415.612 where: short stacking energy: -213.284 Base-Backbone interact. energy: -0.680 local terms energy: -263.235796 where: bonds (distance) C4'-P energy: -49.886 bonds (distance) P-C4' energy: -51.654 flat angles C4'-P-C4' energy: -59.732 flat angles P-C4'-P energy: -49.804 tors. eta vs tors. theta energy: -52.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -528.824972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.824972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.824972 (E_RNA) where: Base-Base interactions energy: -310.658 where: short stacking energy: -174.773 Base-Backbone interact. energy: 0.753 local terms energy: -218.920353 where: bonds (distance) C4'-P energy: -49.221 bonds (distance) P-C4' energy: -49.811 flat angles C4'-P-C4' energy: -51.297 flat angles P-C4'-P energy: -35.210 tors. eta vs tors. theta energy: -33.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -310.253017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.253017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.253017 (E_RNA) where: Base-Base interactions energy: -139.532 where: short stacking energy: -81.746 Base-Backbone interact. energy: -3.361 local terms energy: -167.359718 where: bonds (distance) C4'-P energy: -47.908 bonds (distance) P-C4' energy: -42.225 flat angles C4'-P-C4' energy: -54.673 flat angles P-C4'-P energy: -26.265 tors. eta vs tors. theta energy: 3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -272.415731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.415731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.415731 (E_RNA) where: Base-Base interactions energy: -81.779 where: short stacking energy: -72.098 Base-Backbone interact. energy: 0.776 local terms energy: -191.412599 where: bonds (distance) C4'-P energy: -47.967 bonds (distance) P-C4' energy: -58.208 flat angles C4'-P-C4' energy: -47.581 flat angles P-C4'-P energy: -34.409 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1114.455682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.455682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.455682 (E_RNA) where: Base-Base interactions energy: -783.969 where: short stacking energy: -320.406 Base-Backbone interact. energy: 2.044 local terms energy: -332.531559 where: bonds (distance) C4'-P energy: -57.720 bonds (distance) P-C4' energy: -61.000 flat angles C4'-P-C4' energy: -68.479 flat angles P-C4'-P energy: -51.239 tors. eta vs tors. theta energy: -94.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1062.809327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.809327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.809327 (E_RNA) where: Base-Base interactions energy: -729.754 where: short stacking energy: -294.845 Base-Backbone interact. energy: -1.849 local terms energy: -331.206685 where: bonds (distance) C4'-P energy: -52.187 bonds (distance) P-C4' energy: -67.301 flat angles C4'-P-C4' energy: -73.742 flat angles P-C4'-P energy: -49.017 tors. eta vs tors. theta energy: -88.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1035.745761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.745761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.745761 (E_RNA) where: Base-Base interactions energy: -703.769 where: short stacking energy: -300.533 Base-Backbone interact. energy: -3.474 local terms energy: -328.502919 where: bonds (distance) C4'-P energy: -71.035 bonds (distance) P-C4' energy: -66.204 flat angles C4'-P-C4' energy: -70.068 flat angles P-C4'-P energy: -37.951 tors. eta vs tors. theta energy: -83.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -969.361270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.361270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.361270 (E_RNA) where: Base-Base interactions energy: -679.897 where: short stacking energy: -284.984 Base-Backbone interact. energy: -2.330 local terms energy: -287.133830 where: bonds (distance) C4'-P energy: -56.303 bonds (distance) P-C4' energy: -65.418 flat angles C4'-P-C4' energy: -54.114 flat angles P-C4'-P energy: -35.214 tors. eta vs tors. theta energy: -76.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -974.352473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.352473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.352473 (E_RNA) where: Base-Base interactions energy: -655.814 where: short stacking energy: -273.612 Base-Backbone interact. energy: 2.170 local terms energy: -320.708377 where: bonds (distance) C4'-P energy: -60.351 bonds (distance) P-C4' energy: -59.515 flat angles C4'-P-C4' energy: -74.047 flat angles P-C4'-P energy: -46.266 tors. eta vs tors. theta energy: -80.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -810.533896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.533896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.533896 (E_RNA) where: Base-Base interactions energy: -512.997 where: short stacking energy: -236.051 Base-Backbone interact. energy: -1.070 local terms energy: -296.467030 where: bonds (distance) C4'-P energy: -67.956 bonds (distance) P-C4' energy: -54.101 flat angles C4'-P-C4' energy: -63.487 flat angles P-C4'-P energy: -50.171 tors. eta vs tors. theta energy: -60.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -675.540714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.540714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.540714 (E_RNA) where: Base-Base interactions energy: -422.641 where: short stacking energy: -203.641 Base-Backbone interact. energy: -0.669 local terms energy: -252.230708 where: bonds (distance) C4'-P energy: -60.471 bonds (distance) P-C4' energy: -48.213 flat angles C4'-P-C4' energy: -57.980 flat angles P-C4'-P energy: -38.557 tors. eta vs tors. theta energy: -47.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -532.299535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.299535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.299535 (E_RNA) where: Base-Base interactions energy: -307.748 where: short stacking energy: -167.956 Base-Backbone interact. energy: 0.064 local terms energy: -224.615381 where: bonds (distance) C4'-P energy: -49.407 bonds (distance) P-C4' energy: -61.497 flat angles C4'-P-C4' energy: -54.144 flat angles P-C4'-P energy: -41.701 tors. eta vs tors. theta energy: -17.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -312.032927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.032927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.032927 (E_RNA) where: Base-Base interactions energy: -121.842 where: short stacking energy: -105.625 Base-Backbone interact. energy: 1.056 local terms energy: -191.247215 where: bonds (distance) C4'-P energy: -50.182 bonds (distance) P-C4' energy: -66.667 flat angles C4'-P-C4' energy: -44.409 flat angles P-C4'-P energy: -16.729 tors. eta vs tors. theta energy: -13.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -304.719086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.719086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.719086 (E_RNA) where: Base-Base interactions energy: -154.876 where: short stacking energy: -106.607 Base-Backbone interact. energy: -1.009 local terms energy: -148.834169 where: bonds (distance) C4'-P energy: -37.427 bonds (distance) P-C4' energy: -49.423 flat angles C4'-P-C4' energy: -39.131 flat angles P-C4'-P energy: -28.702 tors. eta vs tors. theta energy: 5.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1114.582669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.582669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.582669 (E_RNA) where: Base-Base interactions energy: -782.770 where: short stacking energy: -326.368 Base-Backbone interact. energy: -1.641 local terms energy: -330.171388 where: bonds (distance) C4'-P energy: -61.324 bonds (distance) P-C4' energy: -60.430 flat angles C4'-P-C4' energy: -67.855 flat angles P-C4'-P energy: -49.130 tors. eta vs tors. theta energy: -91.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1086.269388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.269388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.269388 (E_RNA) where: Base-Base interactions energy: -759.328 where: short stacking energy: -321.449 Base-Backbone interact. energy: -0.977 local terms energy: -325.964273 where: bonds (distance) C4'-P energy: -51.347 bonds (distance) P-C4' energy: -57.988 flat angles C4'-P-C4' energy: -68.582 flat angles P-C4'-P energy: -54.104 tors. eta vs tors. theta energy: -93.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1040.028894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.028894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.028894 (E_RNA) where: Base-Base interactions energy: -699.652 where: short stacking energy: -298.147 Base-Backbone interact. energy: -3.544 local terms energy: -336.832128 where: bonds (distance) C4'-P energy: -58.674 bonds (distance) P-C4' energy: -70.755 flat angles C4'-P-C4' energy: -71.182 flat angles P-C4'-P energy: -43.184 tors. eta vs tors. theta energy: -93.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -997.380166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.380166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.380166 (E_RNA) where: Base-Base interactions energy: -686.903 where: short stacking energy: -272.830 Base-Backbone interact. energy: -1.563 local terms energy: -308.914458 where: bonds (distance) C4'-P energy: -57.627 bonds (distance) P-C4' energy: -64.757 flat angles C4'-P-C4' energy: -63.723 flat angles P-C4'-P energy: -45.349 tors. eta vs tors. theta energy: -77.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -974.570357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.570357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.570357 (E_RNA) where: Base-Base interactions energy: -654.782 where: short stacking energy: -270.851 Base-Backbone interact. energy: 0.314 local terms energy: -320.102395 where: bonds (distance) C4'-P energy: -62.319 bonds (distance) P-C4' energy: -56.431 flat angles C4'-P-C4' energy: -74.857 flat angles P-C4'-P energy: -40.217 tors. eta vs tors. theta energy: -86.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -812.427039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.427039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.427039 (E_RNA) where: Base-Base interactions energy: -519.786 where: short stacking energy: -240.653 Base-Backbone interact. energy: 2.633 local terms energy: -295.274088 where: bonds (distance) C4'-P energy: -64.503 bonds (distance) P-C4' energy: -54.741 flat angles C4'-P-C4' energy: -60.674 flat angles P-C4'-P energy: -50.857 tors. eta vs tors. theta energy: -64.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -686.909046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.909046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.909046 (E_RNA) where: Base-Base interactions energy: -403.201 where: short stacking energy: -202.375 Base-Backbone interact. energy: 0.524 local terms energy: -284.232671 where: bonds (distance) C4'-P energy: -60.745 bonds (distance) P-C4' energy: -68.754 flat angles C4'-P-C4' energy: -49.494 flat angles P-C4'-P energy: -38.105 tors. eta vs tors. theta energy: -67.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -520.827002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.827002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.827002 (E_RNA) where: Base-Base interactions energy: -315.957 where: short stacking energy: -165.521 Base-Backbone interact. energy: -1.594 local terms energy: -203.275443 where: bonds (distance) C4'-P energy: -52.844 bonds (distance) P-C4' energy: -50.055 flat angles C4'-P-C4' energy: -45.017 flat angles P-C4'-P energy: -25.230 tors. eta vs tors. theta energy: -30.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -334.319896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.319896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.319896 (E_RNA) where: Base-Base interactions energy: -147.381 where: short stacking energy: -97.771 Base-Backbone interact. energy: -0.426 local terms energy: -186.513279 where: bonds (distance) C4'-P energy: -51.168 bonds (distance) P-C4' energy: -65.324 flat angles C4'-P-C4' energy: -37.287 flat angles P-C4'-P energy: -36.936 tors. eta vs tors. theta energy: 4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -296.091196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.091196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.091196 (E_RNA) where: Base-Base interactions energy: -130.289 where: short stacking energy: -77.665 Base-Backbone interact. energy: -0.859 local terms energy: -164.943695 where: bonds (distance) C4'-P energy: -51.771 bonds (distance) P-C4' energy: -60.097 flat angles C4'-P-C4' energy: -36.056 flat angles P-C4'-P energy: -32.537 tors. eta vs tors. theta energy: 15.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1102.888502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.888502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.888502 (E_RNA) where: Base-Base interactions energy: -762.350 where: short stacking energy: -297.106 Base-Backbone interact. energy: 0.153 local terms energy: -340.691933 where: bonds (distance) C4'-P energy: -65.326 bonds (distance) P-C4' energy: -68.247 flat angles C4'-P-C4' energy: -68.576 flat angles P-C4'-P energy: -48.877 tors. eta vs tors. theta energy: -89.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1091.237869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.237869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.237869 (E_RNA) where: Base-Base interactions energy: -746.424 where: short stacking energy: -299.097 Base-Backbone interact. energy: -2.177 local terms energy: -342.636195 where: bonds (distance) C4'-P energy: -66.560 bonds (distance) P-C4' energy: -68.464 flat angles C4'-P-C4' energy: -70.519 flat angles P-C4'-P energy: -46.575 tors. eta vs tors. theta energy: -90.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1023.214337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.214337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.214337 (E_RNA) where: Base-Base interactions energy: -678.315 where: short stacking energy: -301.119 Base-Backbone interact. energy: -0.190 local terms energy: -344.709678 where: bonds (distance) C4'-P energy: -58.620 bonds (distance) P-C4' energy: -66.692 flat angles C4'-P-C4' energy: -75.754 flat angles P-C4'-P energy: -49.303 tors. eta vs tors. theta energy: -94.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -971.952845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.952845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.952845 (E_RNA) where: Base-Base interactions energy: -668.379 where: short stacking energy: -282.747 Base-Backbone interact. energy: -1.211 local terms energy: -302.363085 where: bonds (distance) C4'-P energy: -53.777 bonds (distance) P-C4' energy: -53.380 flat angles C4'-P-C4' energy: -67.561 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -86.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -953.431054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.431054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.431054 (E_RNA) where: Base-Base interactions energy: -653.120 where: short stacking energy: -256.734 Base-Backbone interact. energy: 0.318 local terms energy: -300.628756 where: bonds (distance) C4'-P energy: -47.340 bonds (distance) P-C4' energy: -56.934 flat angles C4'-P-C4' energy: -69.035 flat angles P-C4'-P energy: -52.848 tors. eta vs tors. theta energy: -74.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -818.473046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.473046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.473046 (E_RNA) where: Base-Base interactions energy: -534.418 where: short stacking energy: -242.694 Base-Backbone interact. energy: -2.124 local terms energy: -281.930379 where: bonds (distance) C4'-P energy: -50.565 bonds (distance) P-C4' energy: -59.732 flat angles C4'-P-C4' energy: -58.131 flat angles P-C4'-P energy: -45.636 tors. eta vs tors. theta energy: -67.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -658.896996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.896996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.896996 (E_RNA) where: Base-Base interactions energy: -405.363 where: short stacking energy: -196.114 Base-Backbone interact. energy: -1.660 local terms energy: -251.873209 where: bonds (distance) C4'-P energy: -53.560 bonds (distance) P-C4' energy: -62.007 flat angles C4'-P-C4' energy: -47.685 flat angles P-C4'-P energy: -38.740 tors. eta vs tors. theta energy: -49.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -506.520661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.520661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.520661 (E_RNA) where: Base-Base interactions energy: -276.254 where: short stacking energy: -141.306 Base-Backbone interact. energy: -2.225 local terms energy: -228.041115 where: bonds (distance) C4'-P energy: -54.240 bonds (distance) P-C4' energy: -57.315 flat angles C4'-P-C4' energy: -50.777 flat angles P-C4'-P energy: -34.745 tors. eta vs tors. theta energy: -30.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -358.269431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.269431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.269431 (E_RNA) where: Base-Base interactions energy: -166.903 where: short stacking energy: -105.799 Base-Backbone interact. energy: 0.672 local terms energy: -192.038776 where: bonds (distance) C4'-P energy: -54.075 bonds (distance) P-C4' energy: -54.160 flat angles C4'-P-C4' energy: -44.903 flat angles P-C4'-P energy: -28.375 tors. eta vs tors. theta energy: -10.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -338.272045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.272045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.272045 (E_RNA) where: Base-Base interactions energy: -165.264 where: short stacking energy: -102.381 Base-Backbone interact. energy: 1.403 local terms energy: -174.410421 where: bonds (distance) C4'-P energy: -48.093 bonds (distance) P-C4' energy: -50.770 flat angles C4'-P-C4' energy: -47.295 flat angles P-C4'-P energy: -28.801 tors. eta vs tors. theta energy: 0.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1112.694904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.694904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.694904 (E_RNA) where: Base-Base interactions energy: -768.755 where: short stacking energy: -314.634 Base-Backbone interact. energy: -1.343 local terms energy: -342.596541 where: bonds (distance) C4'-P energy: -56.672 bonds (distance) P-C4' energy: -67.896 flat angles C4'-P-C4' energy: -73.971 flat angles P-C4'-P energy: -52.880 tors. eta vs tors. theta energy: -91.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1104.143542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.143542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.143542 (E_RNA) where: Base-Base interactions energy: -766.725 where: short stacking energy: -325.771 Base-Backbone interact. energy: -1.698 local terms energy: -335.720660 where: bonds (distance) C4'-P energy: -62.123 bonds (distance) P-C4' energy: -60.757 flat angles C4'-P-C4' energy: -71.070 flat angles P-C4'-P energy: -51.216 tors. eta vs tors. theta energy: -90.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1006.744869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.744869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.744869 (E_RNA) where: Base-Base interactions energy: -671.680 where: short stacking energy: -283.488 Base-Backbone interact. energy: -1.986 local terms energy: -333.078535 where: bonds (distance) C4'-P energy: -63.502 bonds (distance) P-C4' energy: -59.914 flat angles C4'-P-C4' energy: -76.230 flat angles P-C4'-P energy: -41.813 tors. eta vs tors. theta energy: -91.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1007.870258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.870258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.870258 (E_RNA) where: Base-Base interactions energy: -668.151 where: short stacking energy: -299.163 Base-Backbone interact. energy: 0.880 local terms energy: -340.599670 where: bonds (distance) C4'-P energy: -67.790 bonds (distance) P-C4' energy: -64.414 flat angles C4'-P-C4' energy: -67.710 flat angles P-C4'-P energy: -46.979 tors. eta vs tors. theta energy: -93.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -957.533881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.533881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.533881 (E_RNA) where: Base-Base interactions energy: -669.653 where: short stacking energy: -278.804 Base-Backbone interact. energy: -1.476 local terms energy: -286.405282 where: bonds (distance) C4'-P energy: -46.728 bonds (distance) P-C4' energy: -57.640 flat angles C4'-P-C4' energy: -63.174 flat angles P-C4'-P energy: -44.998 tors. eta vs tors. theta energy: -73.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -815.361035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.361035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.361035 (E_RNA) where: Base-Base interactions energy: -536.461 where: short stacking energy: -254.399 Base-Backbone interact. energy: -1.526 local terms energy: -277.373694 where: bonds (distance) C4'-P energy: -51.957 bonds (distance) P-C4' energy: -58.068 flat angles C4'-P-C4' energy: -57.233 flat angles P-C4'-P energy: -43.239 tors. eta vs tors. theta energy: -66.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -655.293172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.293172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.293172 (E_RNA) where: Base-Base interactions energy: -404.321 where: short stacking energy: -205.044 Base-Backbone interact. energy: -1.000 local terms energy: -249.971922 where: bonds (distance) C4'-P energy: -48.453 bonds (distance) P-C4' energy: -53.023 flat angles C4'-P-C4' energy: -62.160 flat angles P-C4'-P energy: -35.242 tors. eta vs tors. theta energy: -51.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -513.794481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.794481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.794481 (E_RNA) where: Base-Base interactions energy: -297.990 where: short stacking energy: -170.698 Base-Backbone interact. energy: -0.584 local terms energy: -215.220594 where: bonds (distance) C4'-P energy: -46.608 bonds (distance) P-C4' energy: -48.427 flat angles C4'-P-C4' energy: -51.604 flat angles P-C4'-P energy: -36.562 tors. eta vs tors. theta energy: -32.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -375.917520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.917520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.917520 (E_RNA) where: Base-Base interactions energy: -161.989 where: short stacking energy: -90.551 Base-Backbone interact. energy: -1.903 local terms energy: -212.025253 where: bonds (distance) C4'-P energy: -60.283 bonds (distance) P-C4' energy: -61.308 flat angles C4'-P-C4' energy: -54.993 flat angles P-C4'-P energy: -30.179 tors. eta vs tors. theta energy: -5.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -350.513677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.513677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.513677 (E_RNA) where: Base-Base interactions energy: -172.456 where: short stacking energy: -112.417 Base-Backbone interact. energy: 1.149 local terms energy: -179.207285 where: bonds (distance) C4'-P energy: -58.952 bonds (distance) P-C4' energy: -58.156 flat angles C4'-P-C4' energy: -36.806 flat angles P-C4'-P energy: -17.413 tors. eta vs tors. theta energy: -7.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1144.053957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.053957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.053957 (E_RNA) where: Base-Base interactions energy: -793.149 where: short stacking energy: -333.036 Base-Backbone interact. energy: -0.591 local terms energy: -350.314306 where: bonds (distance) C4'-P energy: -69.716 bonds (distance) P-C4' energy: -68.307 flat angles C4'-P-C4' energy: -73.303 flat angles P-C4'-P energy: -49.045 tors. eta vs tors. theta energy: -89.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1089.820184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.820184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.820184 (E_RNA) where: Base-Base interactions energy: -760.115 where: short stacking energy: -300.648 Base-Backbone interact. energy: 0.778 local terms energy: -330.483253 where: bonds (distance) C4'-P energy: -62.387 bonds (distance) P-C4' energy: -71.186 flat angles C4'-P-C4' energy: -68.193 flat angles P-C4'-P energy: -41.423 tors. eta vs tors. theta energy: -87.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -994.418832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.418832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.418832 (E_RNA) where: Base-Base interactions energy: -689.769 where: short stacking energy: -281.319 Base-Backbone interact. energy: 1.223 local terms energy: -305.872805 where: bonds (distance) C4'-P energy: -63.944 bonds (distance) P-C4' energy: -60.367 flat angles C4'-P-C4' energy: -65.732 flat angles P-C4'-P energy: -35.130 tors. eta vs tors. theta energy: -80.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1010.188724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.188724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.188724 (E_RNA) where: Base-Base interactions energy: -693.283 where: short stacking energy: -287.744 Base-Backbone interact. energy: 0.254 local terms energy: -317.159404 where: bonds (distance) C4'-P energy: -60.905 bonds (distance) P-C4' energy: -58.283 flat angles C4'-P-C4' energy: -66.221 flat angles P-C4'-P energy: -48.612 tors. eta vs tors. theta energy: -83.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -962.637656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.637656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.637656 (E_RNA) where: Base-Base interactions energy: -656.058 where: short stacking energy: -265.501 Base-Backbone interact. energy: 1.011 local terms energy: -307.590692 where: bonds (distance) C4'-P energy: -55.565 bonds (distance) P-C4' energy: -60.659 flat angles C4'-P-C4' energy: -71.299 flat angles P-C4'-P energy: -43.489 tors. eta vs tors. theta energy: -76.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -828.088943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.088943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.088943 (E_RNA) where: Base-Base interactions energy: -551.040 where: short stacking energy: -248.128 Base-Backbone interact. energy: 0.459 local terms energy: -277.508575 where: bonds (distance) C4'-P energy: -52.487 bonds (distance) P-C4' energy: -53.890 flat angles C4'-P-C4' energy: -65.143 flat angles P-C4'-P energy: -39.284 tors. eta vs tors. theta energy: -66.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -674.645901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.645901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.645901 (E_RNA) where: Base-Base interactions energy: -411.680 where: short stacking energy: -201.040 Base-Backbone interact. energy: -0.970 local terms energy: -261.995703 where: bonds (distance) C4'-P energy: -57.602 bonds (distance) P-C4' energy: -52.062 flat angles C4'-P-C4' energy: -58.992 flat angles P-C4'-P energy: -43.110 tors. eta vs tors. theta energy: -50.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -511.461726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.461726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.461726 (E_RNA) where: Base-Base interactions energy: -264.822 where: short stacking energy: -138.615 Base-Backbone interact. energy: 0.793 local terms energy: -247.432630 where: bonds (distance) C4'-P energy: -65.624 bonds (distance) P-C4' energy: -68.631 flat angles C4'-P-C4' energy: -49.479 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: -21.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -297.244238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.244238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.244238 (E_RNA) where: Base-Base interactions energy: -98.885 where: short stacking energy: -84.895 Base-Backbone interact. energy: -1.547 local terms energy: -196.812146 where: bonds (distance) C4'-P energy: -59.941 bonds (distance) P-C4' energy: -61.861 flat angles C4'-P-C4' energy: -60.214 flat angles P-C4'-P energy: -26.061 tors. eta vs tors. theta energy: 11.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -324.136037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.136037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.136037 (E_RNA) where: Base-Base interactions energy: -145.077 where: short stacking energy: -98.154 Base-Backbone interact. energy: 0.043 local terms energy: -179.101706 where: bonds (distance) C4'-P energy: -38.816 bonds (distance) P-C4' energy: -55.769 flat angles C4'-P-C4' energy: -47.011 flat angles P-C4'-P energy: -28.091 tors. eta vs tors. theta energy: -9.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1151.829620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.829620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.829620 (E_RNA) where: Base-Base interactions energy: -801.759 where: short stacking energy: -347.934 Base-Backbone interact. energy: -1.732 local terms energy: -348.338394 where: bonds (distance) C4'-P energy: -56.246 bonds (distance) P-C4' energy: -77.034 flat angles C4'-P-C4' energy: -64.486 flat angles P-C4'-P energy: -51.191 tors. eta vs tors. theta energy: -99.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1090.785087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.785087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.785087 (E_RNA) where: Base-Base interactions energy: -764.987 where: short stacking energy: -308.259 Base-Backbone interact. energy: -0.276 local terms energy: -325.522447 where: bonds (distance) C4'-P energy: -56.576 bonds (distance) P-C4' energy: -69.927 flat angles C4'-P-C4' energy: -65.166 flat angles P-C4'-P energy: -46.246 tors. eta vs tors. theta energy: -87.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1008.298692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.298692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.298692 (E_RNA) where: Base-Base interactions energy: -690.054 where: short stacking energy: -267.587 Base-Backbone interact. energy: -2.012 local terms energy: -316.233091 where: bonds (distance) C4'-P energy: -62.589 bonds (distance) P-C4' energy: -55.591 flat angles C4'-P-C4' energy: -71.663 flat angles P-C4'-P energy: -45.968 tors. eta vs tors. theta energy: -80.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1009.924848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.924848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.924848 (E_RNA) where: Base-Base interactions energy: -680.595 where: short stacking energy: -305.571 Base-Backbone interact. energy: 0.844 local terms energy: -330.173307 where: bonds (distance) C4'-P energy: -66.159 bonds (distance) P-C4' energy: -48.497 flat angles C4'-P-C4' energy: -74.705 flat angles P-C4'-P energy: -52.078 tors. eta vs tors. theta energy: -88.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -937.661172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.661172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.661172 (E_RNA) where: Base-Base interactions energy: -639.907 where: short stacking energy: -270.282 Base-Backbone interact. energy: -0.221 local terms energy: -297.533323 where: bonds (distance) C4'-P energy: -59.005 bonds (distance) P-C4' energy: -59.253 flat angles C4'-P-C4' energy: -61.839 flat angles P-C4'-P energy: -41.762 tors. eta vs tors. theta energy: -75.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -875.055684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.055684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.055684 (E_RNA) where: Base-Base interactions energy: -601.113 where: short stacking energy: -248.707 Base-Backbone interact. energy: -0.643 local terms energy: -273.299782 where: bonds (distance) C4'-P energy: -52.899 bonds (distance) P-C4' energy: -45.805 flat angles C4'-P-C4' energy: -69.286 flat angles P-C4'-P energy: -46.651 tors. eta vs tors. theta energy: -58.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -680.793590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.793590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.793590 (E_RNA) where: Base-Base interactions energy: -417.873 where: short stacking energy: -215.751 Base-Backbone interact. energy: 1.062 local terms energy: -263.981792 where: bonds (distance) C4'-P energy: -51.426 bonds (distance) P-C4' energy: -51.689 flat angles C4'-P-C4' energy: -58.063 flat angles P-C4'-P energy: -47.036 tors. eta vs tors. theta energy: -55.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -526.271615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.271615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.271615 (E_RNA) where: Base-Base interactions energy: -317.225 where: short stacking energy: -178.174 Base-Backbone interact. energy: 5.692 local terms energy: -214.738861 where: bonds (distance) C4'-P energy: -54.182 bonds (distance) P-C4' energy: -44.664 flat angles C4'-P-C4' energy: -40.946 flat angles P-C4'-P energy: -34.849 tors. eta vs tors. theta energy: -40.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -342.009586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.009586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.009586 (E_RNA) where: Base-Base interactions energy: -159.104 where: short stacking energy: -114.409 Base-Backbone interact. energy: -1.034 local terms energy: -181.870712 where: bonds (distance) C4'-P energy: -55.963 bonds (distance) P-C4' energy: -48.695 flat angles C4'-P-C4' energy: -34.352 flat angles P-C4'-P energy: -36.994 tors. eta vs tors. theta energy: -5.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -276.125373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.125373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.125373 (E_RNA) where: Base-Base interactions energy: -105.925 where: short stacking energy: -94.584 Base-Backbone interact. energy: -0.489 local terms energy: -169.711037 where: bonds (distance) C4'-P energy: -38.327 bonds (distance) P-C4' energy: -49.205 flat angles C4'-P-C4' energy: -36.485 flat angles P-C4'-P energy: -32.438 tors. eta vs tors. theta energy: -13.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1136.587671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.587671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.587671 (E_RNA) where: Base-Base interactions energy: -794.412 where: short stacking energy: -337.823 Base-Backbone interact. energy: -3.717 local terms energy: -338.459412 where: bonds (distance) C4'-P energy: -55.845 bonds (distance) P-C4' energy: -64.032 flat angles C4'-P-C4' energy: -76.179 flat angles P-C4'-P energy: -46.916 tors. eta vs tors. theta energy: -95.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1095.602225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.602225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.602225 (E_RNA) where: Base-Base interactions energy: -767.473 where: short stacking energy: -316.001 Base-Backbone interact. energy: -1.971 local terms energy: -326.158969 where: bonds (distance) C4'-P energy: -59.114 bonds (distance) P-C4' energy: -65.464 flat angles C4'-P-C4' energy: -69.592 flat angles P-C4'-P energy: -47.387 tors. eta vs tors. theta energy: -84.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1004.340660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.340660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.340660 (E_RNA) where: Base-Base interactions energy: -692.153 where: short stacking energy: -274.989 Base-Backbone interact. energy: -1.894 local terms energy: -310.293387 where: bonds (distance) C4'-P energy: -65.217 bonds (distance) P-C4' energy: -58.495 flat angles C4'-P-C4' energy: -69.042 flat angles P-C4'-P energy: -47.561 tors. eta vs tors. theta energy: -69.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -997.336647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.336647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.336647 (E_RNA) where: Base-Base interactions energy: -690.365 where: short stacking energy: -290.212 Base-Backbone interact. energy: 0.337 local terms energy: -307.308648 where: bonds (distance) C4'-P energy: -63.196 bonds (distance) P-C4' energy: -52.414 flat angles C4'-P-C4' energy: -67.456 flat angles P-C4'-P energy: -37.833 tors. eta vs tors. theta energy: -86.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -896.617156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.617156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.617156 (E_RNA) where: Base-Base interactions energy: -607.737 where: short stacking energy: -267.534 Base-Backbone interact. energy: 4.765 local terms energy: -293.645626 where: bonds (distance) C4'-P energy: -56.720 bonds (distance) P-C4' energy: -65.378 flat angles C4'-P-C4' energy: -48.951 flat angles P-C4'-P energy: -48.486 tors. eta vs tors. theta energy: -74.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -888.878189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.878189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.878189 (E_RNA) where: Base-Base interactions energy: -597.523 where: short stacking energy: -281.827 Base-Backbone interact. energy: -0.610 local terms energy: -290.745974 where: bonds (distance) C4'-P energy: -44.989 bonds (distance) P-C4' energy: -60.049 flat angles C4'-P-C4' energy: -68.222 flat angles P-C4'-P energy: -38.307 tors. eta vs tors. theta energy: -79.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -684.269119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.269119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.269119 (E_RNA) where: Base-Base interactions energy: -410.685 where: short stacking energy: -198.583 Base-Backbone interact. energy: -1.834 local terms energy: -271.750097 where: bonds (distance) C4'-P energy: -54.147 bonds (distance) P-C4' energy: -59.522 flat angles C4'-P-C4' energy: -80.161 flat angles P-C4'-P energy: -33.667 tors. eta vs tors. theta energy: -44.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -521.038306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.038306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.038306 (E_RNA) where: Base-Base interactions energy: -295.238 where: short stacking energy: -153.851 Base-Backbone interact. energy: 0.073 local terms energy: -225.873687 where: bonds (distance) C4'-P energy: -45.350 bonds (distance) P-C4' energy: -62.971 flat angles C4'-P-C4' energy: -53.571 flat angles P-C4'-P energy: -48.549 tors. eta vs tors. theta energy: -15.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -364.138516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.138516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.138516 (E_RNA) where: Base-Base interactions energy: -162.217 where: short stacking energy: -97.651 Base-Backbone interact. energy: 2.155 local terms energy: -204.077080 where: bonds (distance) C4'-P energy: -58.949 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -59.143 flat angles P-C4'-P energy: -27.520 tors. eta vs tors. theta energy: -0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -280.816370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.816370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.816370 (E_RNA) where: Base-Base interactions energy: -128.932 where: short stacking energy: -93.827 Base-Backbone interact. energy: 0.608 local terms energy: -152.492502 where: bonds (distance) C4'-P energy: -45.575 bonds (distance) P-C4' energy: -58.468 flat angles C4'-P-C4' energy: -39.735 flat angles P-C4'-P energy: -16.892 tors. eta vs tors. theta energy: 8.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1115.901698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.901698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.901698 (E_RNA) where: Base-Base interactions energy: -771.312 where: short stacking energy: -317.752 Base-Backbone interact. energy: -1.127 local terms energy: -343.462700 where: bonds (distance) C4'-P energy: -60.039 bonds (distance) P-C4' energy: -66.757 flat angles C4'-P-C4' energy: -71.548 flat angles P-C4'-P energy: -55.051 tors. eta vs tors. theta energy: -90.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1111.322280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.322280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.322280 (E_RNA) where: Base-Base interactions energy: -776.874 where: short stacking energy: -315.980 Base-Backbone interact. energy: -1.667 local terms energy: -332.780709 where: bonds (distance) C4'-P energy: -70.864 bonds (distance) P-C4' energy: -63.043 flat angles C4'-P-C4' energy: -67.743 flat angles P-C4'-P energy: -36.637 tors. eta vs tors. theta energy: -94.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -990.670885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.670885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.670885 (E_RNA) where: Base-Base interactions energy: -672.622 where: short stacking energy: -261.792 Base-Backbone interact. energy: -2.990 local terms energy: -315.059048 where: bonds (distance) C4'-P energy: -60.375 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -71.137 flat angles P-C4'-P energy: -46.330 tors. eta vs tors. theta energy: -69.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -961.735338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.735338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.735338 (E_RNA) where: Base-Base interactions energy: -638.539 where: short stacking energy: -292.485 Base-Backbone interact. energy: -0.687 local terms energy: -322.508751 where: bonds (distance) C4'-P energy: -56.171 bonds (distance) P-C4' energy: -65.166 flat angles C4'-P-C4' energy: -72.479 flat angles P-C4'-P energy: -42.638 tors. eta vs tors. theta energy: -86.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -922.631062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.631062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.631062 (E_RNA) where: Base-Base interactions energy: -606.163 where: short stacking energy: -265.886 Base-Backbone interact. energy: 0.779 local terms energy: -317.247341 where: bonds (distance) C4'-P energy: -61.961 bonds (distance) P-C4' energy: -70.560 flat angles C4'-P-C4' energy: -68.345 flat angles P-C4'-P energy: -41.634 tors. eta vs tors. theta energy: -74.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -872.592581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.592581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.592581 (E_RNA) where: Base-Base interactions energy: -583.702 where: short stacking energy: -262.335 Base-Backbone interact. energy: -0.770 local terms energy: -288.120795 where: bonds (distance) C4'-P energy: -50.593 bonds (distance) P-C4' energy: -63.042 flat angles C4'-P-C4' energy: -58.063 flat angles P-C4'-P energy: -47.876 tors. eta vs tors. theta energy: -68.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -654.411188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.411188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.411188 (E_RNA) where: Base-Base interactions energy: -404.538 where: short stacking energy: -197.860 Base-Backbone interact. energy: -1.261 local terms energy: -248.612345 where: bonds (distance) C4'-P energy: -50.615 bonds (distance) P-C4' energy: -52.633 flat angles C4'-P-C4' energy: -60.557 flat angles P-C4'-P energy: -35.997 tors. eta vs tors. theta energy: -48.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -515.249702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.249702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.249702 (E_RNA) where: Base-Base interactions energy: -301.604 where: short stacking energy: -142.477 Base-Backbone interact. energy: 0.315 local terms energy: -213.960695 where: bonds (distance) C4'-P energy: -50.592 bonds (distance) P-C4' energy: -62.888 flat angles C4'-P-C4' energy: -60.676 flat angles P-C4'-P energy: -27.142 tors. eta vs tors. theta energy: -12.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -361.384037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.384037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.384037 (E_RNA) where: Base-Base interactions energy: -153.240 where: short stacking energy: -99.116 Base-Backbone interact. energy: -1.296 local terms energy: -206.847321 where: bonds (distance) C4'-P energy: -60.132 bonds (distance) P-C4' energy: -59.667 flat angles C4'-P-C4' energy: -63.035 flat angles P-C4'-P energy: -26.847 tors. eta vs tors. theta energy: 2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -282.539669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.539669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.539669 (E_RNA) where: Base-Base interactions energy: -109.071 where: short stacking energy: -95.521 Base-Backbone interact. energy: -0.502 local terms energy: -172.966872 where: bonds (distance) C4'-P energy: -49.820 bonds (distance) P-C4' energy: -63.111 flat angles C4'-P-C4' energy: -37.715 flat angles P-C4'-P energy: -24.444 tors. eta vs tors. theta energy: 2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1127.248096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.248096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.248096 (E_RNA) where: Base-Base interactions energy: -788.431 where: short stacking energy: -313.146 Base-Backbone interact. energy: 1.767 local terms energy: -340.584083 where: bonds (distance) C4'-P energy: -69.419 bonds (distance) P-C4' energy: -55.211 flat angles C4'-P-C4' energy: -74.919 flat angles P-C4'-P energy: -50.197 tors. eta vs tors. theta energy: -90.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1105.552327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.552327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.552327 (E_RNA) where: Base-Base interactions energy: -782.361 where: short stacking energy: -325.395 Base-Backbone interact. energy: -2.092 local terms energy: -321.099596 where: bonds (distance) C4'-P energy: -57.819 bonds (distance) P-C4' energy: -59.489 flat angles C4'-P-C4' energy: -65.281 flat angles P-C4'-P energy: -43.753 tors. eta vs tors. theta energy: -94.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1002.472388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.472388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.472388 (E_RNA) where: Base-Base interactions energy: -698.795 where: short stacking energy: -282.932 Base-Backbone interact. energy: -3.101 local terms energy: -300.576821 where: bonds (distance) C4'-P energy: -61.981 bonds (distance) P-C4' energy: -57.801 flat angles C4'-P-C4' energy: -64.118 flat angles P-C4'-P energy: -46.379 tors. eta vs tors. theta energy: -70.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -991.264049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.264049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.264049 (E_RNA) where: Base-Base interactions energy: -673.309 where: short stacking energy: -310.402 Base-Backbone interact. energy: -0.272 local terms energy: -317.682619 where: bonds (distance) C4'-P energy: -49.037 bonds (distance) P-C4' energy: -54.648 flat angles C4'-P-C4' energy: -71.612 flat angles P-C4'-P energy: -44.443 tors. eta vs tors. theta energy: -97.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -923.282605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.282605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.282605 (E_RNA) where: Base-Base interactions energy: -639.013 where: short stacking energy: -269.906 Base-Backbone interact. energy: -1.578 local terms energy: -282.691899 where: bonds (distance) C4'-P energy: -46.954 bonds (distance) P-C4' energy: -62.755 flat angles C4'-P-C4' energy: -63.272 flat angles P-C4'-P energy: -36.085 tors. eta vs tors. theta energy: -73.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -905.016893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.016893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.016893 (E_RNA) where: Base-Base interactions energy: -617.768 where: short stacking energy: -274.910 Base-Backbone interact. energy: -1.324 local terms energy: -285.923982 where: bonds (distance) C4'-P energy: -55.288 bonds (distance) P-C4' energy: -54.735 flat angles C4'-P-C4' energy: -58.503 flat angles P-C4'-P energy: -46.122 tors. eta vs tors. theta energy: -71.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -689.024077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.024077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.024077 (E_RNA) where: Base-Base interactions energy: -425.264 where: short stacking energy: -200.806 Base-Backbone interact. energy: -0.895 local terms energy: -262.865076 where: bonds (distance) C4'-P energy: -53.526 bonds (distance) P-C4' energy: -61.927 flat angles C4'-P-C4' energy: -63.213 flat angles P-C4'-P energy: -35.165 tors. eta vs tors. theta energy: -49.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -544.515287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.515287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.515287 (E_RNA) where: Base-Base interactions energy: -321.081 where: short stacking energy: -158.125 Base-Backbone interact. energy: 0.864 local terms energy: -224.297594 where: bonds (distance) C4'-P energy: -59.526 bonds (distance) P-C4' energy: -62.299 flat angles C4'-P-C4' energy: -58.625 flat angles P-C4'-P energy: -25.551 tors. eta vs tors. theta energy: -18.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -377.729034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.729034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.729034 (E_RNA) where: Base-Base interactions energy: -208.821 where: short stacking energy: -112.260 Base-Backbone interact. energy: 0.243 local terms energy: -169.151114 where: bonds (distance) C4'-P energy: -41.115 bonds (distance) P-C4' energy: -46.675 flat angles C4'-P-C4' energy: -45.866 flat angles P-C4'-P energy: -30.787 tors. eta vs tors. theta energy: -4.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -255.860664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.860664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.860664 (E_RNA) where: Base-Base interactions energy: -87.317 where: short stacking energy: -76.577 Base-Backbone interact. energy: 1.331 local terms energy: -169.874398 where: bonds (distance) C4'-P energy: -47.396 bonds (distance) P-C4' energy: -53.812 flat angles C4'-P-C4' energy: -48.126 flat angles P-C4'-P energy: -28.784 tors. eta vs tors. theta energy: 8.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1131.242304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.242304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.242304 (E_RNA) where: Base-Base interactions energy: -787.820 where: short stacking energy: -331.263 Base-Backbone interact. energy: -1.093 local terms energy: -342.329645 where: bonds (distance) C4'-P energy: -64.492 bonds (distance) P-C4' energy: -63.592 flat angles C4'-P-C4' energy: -68.558 flat angles P-C4'-P energy: -50.246 tors. eta vs tors. theta energy: -95.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1088.527963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.527963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.527963 (E_RNA) where: Base-Base interactions energy: -768.174 where: short stacking energy: -330.661 Base-Backbone interact. energy: -1.813 local terms energy: -318.540547 where: bonds (distance) C4'-P energy: -52.485 bonds (distance) P-C4' energy: -62.380 flat angles C4'-P-C4' energy: -61.513 flat angles P-C4'-P energy: -47.252 tors. eta vs tors. theta energy: -94.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1010.007313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.007313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.007313 (E_RNA) where: Base-Base interactions energy: -689.742 where: short stacking energy: -274.535 Base-Backbone interact. energy: -2.883 local terms energy: -317.382841 where: bonds (distance) C4'-P energy: -52.608 bonds (distance) P-C4' energy: -71.880 flat angles C4'-P-C4' energy: -73.345 flat angles P-C4'-P energy: -46.879 tors. eta vs tors. theta energy: -72.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -975.441915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.441915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.441915 (E_RNA) where: Base-Base interactions energy: -638.831 where: short stacking energy: -298.160 Base-Backbone interact. energy: -1.670 local terms energy: -334.940971 where: bonds (distance) C4'-P energy: -63.486 bonds (distance) P-C4' energy: -59.488 flat angles C4'-P-C4' energy: -66.155 flat angles P-C4'-P energy: -53.339 tors. eta vs tors. theta energy: -92.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -931.321830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.321830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.321830 (E_RNA) where: Base-Base interactions energy: -633.298 where: short stacking energy: -283.408 Base-Backbone interact. energy: 0.982 local terms energy: -299.006239 where: bonds (distance) C4'-P energy: -68.279 bonds (distance) P-C4' energy: -53.092 flat angles C4'-P-C4' energy: -63.984 flat angles P-C4'-P energy: -39.477 tors. eta vs tors. theta energy: -74.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -903.835099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.835099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.835099 (E_RNA) where: Base-Base interactions energy: -603.581 where: short stacking energy: -287.300 Base-Backbone interact. energy: -0.488 local terms energy: -299.766167 where: bonds (distance) C4'-P energy: -58.712 bonds (distance) P-C4' energy: -54.049 flat angles C4'-P-C4' energy: -62.581 flat angles P-C4'-P energy: -42.322 tors. eta vs tors. theta energy: -82.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -698.448766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.448766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.448766 (E_RNA) where: Base-Base interactions energy: -438.686 where: short stacking energy: -200.540 Base-Backbone interact. energy: -2.929 local terms energy: -256.834468 where: bonds (distance) C4'-P energy: -57.288 bonds (distance) P-C4' energy: -66.161 flat angles C4'-P-C4' energy: -47.792 flat angles P-C4'-P energy: -35.220 tors. eta vs tors. theta energy: -50.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -535.644300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.644300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.644300 (E_RNA) where: Base-Base interactions energy: -314.206 where: short stacking energy: -172.925 Base-Backbone interact. energy: -0.510 local terms energy: -220.928343 where: bonds (distance) C4'-P energy: -46.270 bonds (distance) P-C4' energy: -54.769 flat angles C4'-P-C4' energy: -58.709 flat angles P-C4'-P energy: -37.632 tors. eta vs tors. theta energy: -23.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -308.132052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.132052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.132052 (E_RNA) where: Base-Base interactions energy: -117.001 where: short stacking energy: -94.264 Base-Backbone interact. energy: -1.085 local terms energy: -190.046145 where: bonds (distance) C4'-P energy: -51.925 bonds (distance) P-C4' energy: -58.446 flat angles C4'-P-C4' energy: -54.722 flat angles P-C4'-P energy: -28.365 tors. eta vs tors. theta energy: 3.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -358.919770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.919770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.919770 (E_RNA) where: Base-Base interactions energy: -180.828 where: short stacking energy: -106.435 Base-Backbone interact. energy: -0.223 local terms energy: -177.868786 where: bonds (distance) C4'-P energy: -50.902 bonds (distance) P-C4' energy: -40.178 flat angles C4'-P-C4' energy: -50.864 flat angles P-C4'-P energy: -28.694 tors. eta vs tors. theta energy: -7.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1124.690295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.690295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.690295 (E_RNA) where: Base-Base interactions energy: -770.575 where: short stacking energy: -317.592 Base-Backbone interact. energy: 0.944 local terms energy: -355.059525 where: bonds (distance) C4'-P energy: -67.914 bonds (distance) P-C4' energy: -66.663 flat angles C4'-P-C4' energy: -79.144 flat angles P-C4'-P energy: -46.725 tors. eta vs tors. theta energy: -94.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1102.660092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.660092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.660092 (E_RNA) where: Base-Base interactions energy: -773.350 where: short stacking energy: -330.923 Base-Backbone interact. energy: -0.311 local terms energy: -328.998647 where: bonds (distance) C4'-P energy: -54.751 bonds (distance) P-C4' energy: -60.559 flat angles C4'-P-C4' energy: -72.077 flat angles P-C4'-P energy: -45.999 tors. eta vs tors. theta energy: -95.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1004.963438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.963438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.963438 (E_RNA) where: Base-Base interactions energy: -692.675 where: short stacking energy: -277.721 Base-Backbone interact. energy: -0.326 local terms energy: -311.962096 where: bonds (distance) C4'-P energy: -62.242 bonds (distance) P-C4' energy: -65.061 flat angles C4'-P-C4' energy: -64.412 flat angles P-C4'-P energy: -46.919 tors. eta vs tors. theta energy: -73.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -986.208920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.208920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.208920 (E_RNA) where: Base-Base interactions energy: -674.660 where: short stacking energy: -299.194 Base-Backbone interact. energy: -0.647 local terms energy: -310.901086 where: bonds (distance) C4'-P energy: -54.854 bonds (distance) P-C4' energy: -60.382 flat angles C4'-P-C4' energy: -68.474 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -82.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -931.825606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.825606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.825606 (E_RNA) where: Base-Base interactions energy: -628.953 where: short stacking energy: -274.595 Base-Backbone interact. energy: -1.217 local terms energy: -301.654725 where: bonds (distance) C4'-P energy: -55.114 bonds (distance) P-C4' energy: -57.068 flat angles C4'-P-C4' energy: -75.666 flat angles P-C4'-P energy: -38.786 tors. eta vs tors. theta energy: -75.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -896.262979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.262979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.262979 (E_RNA) where: Base-Base interactions energy: -608.477 where: short stacking energy: -268.233 Base-Backbone interact. energy: -3.226 local terms energy: -284.559392 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -71.434 flat angles P-C4'-P energy: -35.688 tors. eta vs tors. theta energy: -65.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -671.769977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.769977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.769977 (E_RNA) where: Base-Base interactions energy: -410.364 where: short stacking energy: -209.873 Base-Backbone interact. energy: -0.755 local terms energy: -260.651264 where: bonds (distance) C4'-P energy: -56.776 bonds (distance) P-C4' energy: -65.473 flat angles C4'-P-C4' energy: -56.594 flat angles P-C4'-P energy: -41.319 tors. eta vs tors. theta energy: -40.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -600.974187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.974187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.974187 (E_RNA) where: Base-Base interactions energy: -367.505 where: short stacking energy: -185.269 Base-Backbone interact. energy: 2.013 local terms energy: -235.481365 where: bonds (distance) C4'-P energy: -54.135 bonds (distance) P-C4' energy: -63.303 flat angles C4'-P-C4' energy: -63.345 flat angles P-C4'-P energy: -18.461 tors. eta vs tors. theta energy: -36.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -276.512156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.512156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.512156 (E_RNA) where: Base-Base interactions energy: -113.822 where: short stacking energy: -96.657 Base-Backbone interact. energy: 2.225 local terms energy: -164.915439 where: bonds (distance) C4'-P energy: -50.242 bonds (distance) P-C4' energy: -50.293 flat angles C4'-P-C4' energy: -42.814 flat angles P-C4'-P energy: -29.714 tors. eta vs tors. theta energy: 8.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -317.183145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.183145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.183145 (E_RNA) where: Base-Base interactions energy: -140.512 where: short stacking energy: -93.152 Base-Backbone interact. energy: -0.643 local terms energy: -176.028319 where: bonds (distance) C4'-P energy: -49.507 bonds (distance) P-C4' energy: -62.415 flat angles C4'-P-C4' energy: -42.437 flat angles P-C4'-P energy: -28.250 tors. eta vs tors. theta energy: 6.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1134.716705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.716705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.716705 (E_RNA) where: Base-Base interactions energy: -775.606 where: short stacking energy: -322.165 Base-Backbone interact. energy: -1.280 local terms energy: -357.830374 where: bonds (distance) C4'-P energy: -68.309 bonds (distance) P-C4' energy: -68.478 flat angles C4'-P-C4' energy: -77.170 flat angles P-C4'-P energy: -52.919 tors. eta vs tors. theta energy: -90.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1094.258170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.258170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.258170 (E_RNA) where: Base-Base interactions energy: -762.094 where: short stacking energy: -334.482 Base-Backbone interact. energy: -2.425 local terms energy: -329.739603 where: bonds (distance) C4'-P energy: -54.420 bonds (distance) P-C4' energy: -62.156 flat angles C4'-P-C4' energy: -70.840 flat angles P-C4'-P energy: -48.404 tors. eta vs tors. theta energy: -93.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -999.239548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.239548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.239548 (E_RNA) where: Base-Base interactions energy: -665.998 where: short stacking energy: -276.772 Base-Backbone interact. energy: -1.179 local terms energy: -332.061875 where: bonds (distance) C4'-P energy: -66.854 bonds (distance) P-C4' energy: -65.940 flat angles C4'-P-C4' energy: -73.026 flat angles P-C4'-P energy: -44.814 tors. eta vs tors. theta energy: -81.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1007.321794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.321794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.321794 (E_RNA) where: Base-Base interactions energy: -661.240 where: short stacking energy: -304.284 Base-Backbone interact. energy: -0.533 local terms energy: -345.549003 where: bonds (distance) C4'-P energy: -70.256 bonds (distance) P-C4' energy: -62.714 flat angles C4'-P-C4' energy: -65.629 flat angles P-C4'-P energy: -50.227 tors. eta vs tors. theta energy: -96.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -914.634380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.634380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.634380 (E_RNA) where: Base-Base interactions energy: -605.029 where: short stacking energy: -260.990 Base-Backbone interact. energy: -0.940 local terms energy: -308.666219 where: bonds (distance) C4'-P energy: -54.523 bonds (distance) P-C4' energy: -66.166 flat angles C4'-P-C4' energy: -59.019 flat angles P-C4'-P energy: -51.603 tors. eta vs tors. theta energy: -77.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -888.065630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.065630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.065630 (E_RNA) where: Base-Base interactions energy: -613.340 where: short stacking energy: -272.604 Base-Backbone interact. energy: -2.644 local terms energy: -272.082005 where: bonds (distance) C4'-P energy: -50.664 bonds (distance) P-C4' energy: -50.787 flat angles C4'-P-C4' energy: -55.234 flat angles P-C4'-P energy: -49.100 tors. eta vs tors. theta energy: -66.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -650.509610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.509610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.509610 (E_RNA) where: Base-Base interactions energy: -393.102 where: short stacking energy: -198.585 Base-Backbone interact. energy: -1.772 local terms energy: -255.636163 where: bonds (distance) C4'-P energy: -58.329 bonds (distance) P-C4' energy: -52.418 flat angles C4'-P-C4' energy: -53.345 flat angles P-C4'-P energy: -40.517 tors. eta vs tors. theta energy: -51.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -640.268904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.268904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.268904 (E_RNA) where: Base-Base interactions energy: -390.866 where: short stacking energy: -177.147 Base-Backbone interact. energy: -0.868 local terms energy: -248.534905 where: bonds (distance) C4'-P energy: -66.952 bonds (distance) P-C4' energy: -54.556 flat angles C4'-P-C4' energy: -56.509 flat angles P-C4'-P energy: -35.309 tors. eta vs tors. theta energy: -35.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -285.021118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.021118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.021118 (E_RNA) where: Base-Base interactions energy: -97.875 where: short stacking energy: -87.581 Base-Backbone interact. energy: -1.840 local terms energy: -185.305924 where: bonds (distance) C4'-P energy: -52.649 bonds (distance) P-C4' energy: -62.009 flat angles C4'-P-C4' energy: -42.398 flat angles P-C4'-P energy: -22.714 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -328.909004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.909004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.909004 (E_RNA) where: Base-Base interactions energy: -147.703 where: short stacking energy: -65.054 Base-Backbone interact. energy: 0.056 local terms energy: -181.261837 where: bonds (distance) C4'-P energy: -51.041 bonds (distance) P-C4' energy: -47.581 flat angles C4'-P-C4' energy: -60.604 flat angles P-C4'-P energy: -30.584 tors. eta vs tors. theta energy: 8.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1132.570365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.570365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.570365 (E_RNA) where: Base-Base interactions energy: -780.246 where: short stacking energy: -328.269 Base-Backbone interact. energy: 0.421 local terms energy: -352.745043 where: bonds (distance) C4'-P energy: -70.144 bonds (distance) P-C4' energy: -65.349 flat angles C4'-P-C4' energy: -73.038 flat angles P-C4'-P energy: -53.796 tors. eta vs tors. theta energy: -90.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1095.694381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.694381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.694381 (E_RNA) where: Base-Base interactions energy: -763.548 where: short stacking energy: -319.585 Base-Backbone interact. energy: 0.207 local terms energy: -332.352972 where: bonds (distance) C4'-P energy: -55.846 bonds (distance) P-C4' energy: -57.849 flat angles C4'-P-C4' energy: -72.995 flat angles P-C4'-P energy: -46.625 tors. eta vs tors. theta energy: -99.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -981.304083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.304083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.304083 (E_RNA) where: Base-Base interactions energy: -682.581 where: short stacking energy: -275.057 Base-Backbone interact. energy: 1.740 local terms energy: -300.463987 where: bonds (distance) C4'-P energy: -52.908 bonds (distance) P-C4' energy: -61.613 flat angles C4'-P-C4' energy: -71.559 flat angles P-C4'-P energy: -38.884 tors. eta vs tors. theta energy: -75.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1011.707245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.707245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.707245 (E_RNA) where: Base-Base interactions energy: -663.969 where: short stacking energy: -292.078 Base-Backbone interact. energy: -2.199 local terms energy: -345.539494 where: bonds (distance) C4'-P energy: -65.598 bonds (distance) P-C4' energy: -72.276 flat angles C4'-P-C4' energy: -69.650 flat angles P-C4'-P energy: -47.821 tors. eta vs tors. theta energy: -90.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -917.745041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.745041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.745041 (E_RNA) where: Base-Base interactions energy: -629.531 where: short stacking energy: -267.929 Base-Backbone interact. energy: 0.331 local terms energy: -288.544964 where: bonds (distance) C4'-P energy: -47.093 bonds (distance) P-C4' energy: -63.749 flat angles C4'-P-C4' energy: -62.680 flat angles P-C4'-P energy: -41.929 tors. eta vs tors. theta energy: -73.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -860.810738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.810738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.810738 (E_RNA) where: Base-Base interactions energy: -570.172 where: short stacking energy: -265.238 Base-Backbone interact. energy: -0.861 local terms energy: -289.777373 where: bonds (distance) C4'-P energy: -57.367 bonds (distance) P-C4' energy: -59.579 flat angles C4'-P-C4' energy: -60.696 flat angles P-C4'-P energy: -38.185 tors. eta vs tors. theta energy: -73.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -662.237772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.237772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.237772 (E_RNA) where: Base-Base interactions energy: -422.796 where: short stacking energy: -200.418 Base-Backbone interact. energy: 2.491 local terms energy: -241.932953 where: bonds (distance) C4'-P energy: -56.332 bonds (distance) P-C4' energy: -49.294 flat angles C4'-P-C4' energy: -60.608 flat angles P-C4'-P energy: -28.971 tors. eta vs tors. theta energy: -46.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -608.164852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.164852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.164852 (E_RNA) where: Base-Base interactions energy: -363.643 where: short stacking energy: -168.121 Base-Backbone interact. energy: -0.154 local terms energy: -244.367261 where: bonds (distance) C4'-P energy: -54.580 bonds (distance) P-C4' energy: -55.915 flat angles C4'-P-C4' energy: -64.915 flat angles P-C4'-P energy: -32.143 tors. eta vs tors. theta energy: -36.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -301.184478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.184478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.184478 (E_RNA) where: Base-Base interactions energy: -105.378 where: short stacking energy: -82.608 Base-Backbone interact. energy: 0.978 local terms energy: -196.784103 where: bonds (distance) C4'-P energy: -49.199 bonds (distance) P-C4' energy: -65.278 flat angles C4'-P-C4' energy: -60.402 flat angles P-C4'-P energy: -22.099 tors. eta vs tors. theta energy: 0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -285.755476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.755476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.755476 (E_RNA) where: Base-Base interactions energy: -109.716 where: short stacking energy: -87.718 Base-Backbone interact. energy: -0.825 local terms energy: -175.214637 where: bonds (distance) C4'-P energy: -41.080 bonds (distance) P-C4' energy: -57.468 flat angles C4'-P-C4' energy: -46.526 flat angles P-C4'-P energy: -33.421 tors. eta vs tors. theta energy: 3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1128.431322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.431322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.431322 (E_RNA) where: Base-Base interactions energy: -785.862 where: short stacking energy: -324.388 Base-Backbone interact. energy: -2.226 local terms energy: -340.343326 where: bonds (distance) C4'-P energy: -69.867 bonds (distance) P-C4' energy: -68.174 flat angles C4'-P-C4' energy: -73.333 flat angles P-C4'-P energy: -41.704 tors. eta vs tors. theta energy: -87.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1115.585527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.585527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.585527 (E_RNA) where: Base-Base interactions energy: -778.227 where: short stacking energy: -317.633 Base-Backbone interact. energy: -1.027 local terms energy: -336.331370 where: bonds (distance) C4'-P energy: -68.861 bonds (distance) P-C4' energy: -61.292 flat angles C4'-P-C4' energy: -64.481 flat angles P-C4'-P energy: -44.876 tors. eta vs tors. theta energy: -96.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -991.404612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.404612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.404612 (E_RNA) where: Base-Base interactions energy: -697.980 where: short stacking energy: -271.618 Base-Backbone interact. energy: 0.836 local terms energy: -294.261098 where: bonds (distance) C4'-P energy: -58.609 bonds (distance) P-C4' energy: -59.608 flat angles C4'-P-C4' energy: -66.282 flat angles P-C4'-P energy: -40.951 tors. eta vs tors. theta energy: -68.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1012.680457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.680457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.680457 (E_RNA) where: Base-Base interactions energy: -696.416 where: short stacking energy: -295.930 Base-Backbone interact. energy: -0.539 local terms energy: -315.725200 where: bonds (distance) C4'-P energy: -60.088 bonds (distance) P-C4' energy: -50.905 flat angles C4'-P-C4' energy: -66.681 flat angles P-C4'-P energy: -43.399 tors. eta vs tors. theta energy: -94.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -941.104427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.104427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.104427 (E_RNA) where: Base-Base interactions energy: -635.689 where: short stacking energy: -276.500 Base-Backbone interact. energy: -1.178 local terms energy: -304.236799 where: bonds (distance) C4'-P energy: -58.383 bonds (distance) P-C4' energy: -55.742 flat angles C4'-P-C4' energy: -69.771 flat angles P-C4'-P energy: -44.784 tors. eta vs tors. theta energy: -75.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -806.676030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.676030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.676030 (E_RNA) where: Base-Base interactions energy: -525.253 where: short stacking energy: -241.345 Base-Backbone interact. energy: -2.094 local terms energy: -279.329440 where: bonds (distance) C4'-P energy: -48.970 bonds (distance) P-C4' energy: -63.057 flat angles C4'-P-C4' energy: -62.440 flat angles P-C4'-P energy: -44.511 tors. eta vs tors. theta energy: -60.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -628.948655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.948655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.948655 (E_RNA) where: Base-Base interactions energy: -399.520 where: short stacking energy: -181.500 Base-Backbone interact. energy: -3.174 local terms energy: -226.254434 where: bonds (distance) C4'-P energy: -48.012 bonds (distance) P-C4' energy: -47.359 flat angles C4'-P-C4' energy: -50.631 flat angles P-C4'-P energy: -35.543 tors. eta vs tors. theta energy: -44.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -578.396806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.396806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.396806 (E_RNA) where: Base-Base interactions energy: -345.607 where: short stacking energy: -175.069 Base-Backbone interact. energy: -1.070 local terms energy: -231.720478 where: bonds (distance) C4'-P energy: -51.725 bonds (distance) P-C4' energy: -58.502 flat angles C4'-P-C4' energy: -44.148 flat angles P-C4'-P energy: -36.669 tors. eta vs tors. theta energy: -40.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -319.450260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.450260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.450260 (E_RNA) where: Base-Base interactions energy: -124.806 where: short stacking energy: -112.552 Base-Backbone interact. energy: -1.549 local terms energy: -193.094561 where: bonds (distance) C4'-P energy: -59.661 bonds (distance) P-C4' energy: -45.333 flat angles C4'-P-C4' energy: -46.606 flat angles P-C4'-P energy: -36.301 tors. eta vs tors. theta energy: -5.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -275.396414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.396414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.396414 (E_RNA) where: Base-Base interactions energy: -90.294 where: short stacking energy: -81.846 Base-Backbone interact. energy: -1.056 local terms energy: -184.046495 where: bonds (distance) C4'-P energy: -56.238 bonds (distance) P-C4' energy: -60.206 flat angles C4'-P-C4' energy: -45.399 flat angles P-C4'-P energy: -20.011 tors. eta vs tors. theta energy: -2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1122.653674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.653674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.653674 (E_RNA) where: Base-Base interactions energy: -784.811 where: short stacking energy: -327.080 Base-Backbone interact. energy: -2.587 local terms energy: -335.255299 where: bonds (distance) C4'-P energy: -63.288 bonds (distance) P-C4' energy: -59.605 flat angles C4'-P-C4' energy: -67.820 flat angles P-C4'-P energy: -54.312 tors. eta vs tors. theta energy: -90.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1088.763830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.763830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.763830 (E_RNA) where: Base-Base interactions energy: -746.135 where: short stacking energy: -319.939 Base-Backbone interact. energy: -2.234 local terms energy: -340.394191 where: bonds (distance) C4'-P energy: -58.323 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -71.736 flat angles P-C4'-P energy: -52.437 tors. eta vs tors. theta energy: -92.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -993.785529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.785529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.785529 (E_RNA) where: Base-Base interactions energy: -679.952 where: short stacking energy: -275.015 Base-Backbone interact. energy: 0.704 local terms energy: -314.537193 where: bonds (distance) C4'-P energy: -59.483 bonds (distance) P-C4' energy: -64.610 flat angles C4'-P-C4' energy: -70.690 flat angles P-C4'-P energy: -36.534 tors. eta vs tors. theta energy: -83.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -994.030980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.030980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.030980 (E_RNA) where: Base-Base interactions energy: -669.686 where: short stacking energy: -305.950 Base-Backbone interact. energy: -0.212 local terms energy: -324.132516 where: bonds (distance) C4'-P energy: -59.121 bonds (distance) P-C4' energy: -58.315 flat angles C4'-P-C4' energy: -62.057 flat angles P-C4'-P energy: -53.364 tors. eta vs tors. theta energy: -91.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -938.379780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.379780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.379780 (E_RNA) where: Base-Base interactions energy: -636.137 where: short stacking energy: -278.486 Base-Backbone interact. energy: -1.553 local terms energy: -300.689517 where: bonds (distance) C4'-P energy: -65.813 bonds (distance) P-C4' energy: -57.982 flat angles C4'-P-C4' energy: -56.877 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: -80.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -841.937870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.937870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.937870 (E_RNA) where: Base-Base interactions energy: -563.928 where: short stacking energy: -274.377 Base-Backbone interact. energy: -0.265 local terms energy: -277.744803 where: bonds (distance) C4'-P energy: -47.705 bonds (distance) P-C4' energy: -50.761 flat angles C4'-P-C4' energy: -66.679 flat angles P-C4'-P energy: -47.089 tors. eta vs tors. theta energy: -65.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -615.977656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.977656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.977656 (E_RNA) where: Base-Base interactions energy: -378.339 where: short stacking energy: -185.990 Base-Backbone interact. energy: -1.662 local terms energy: -235.976752 where: bonds (distance) C4'-P energy: -62.016 bonds (distance) P-C4' energy: -55.239 flat angles C4'-P-C4' energy: -60.887 flat angles P-C4'-P energy: -28.993 tors. eta vs tors. theta energy: -28.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -550.103156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.103156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.103156 (E_RNA) where: Base-Base interactions energy: -329.780 where: short stacking energy: -163.341 Base-Backbone interact. energy: -1.405 local terms energy: -218.918500 where: bonds (distance) C4'-P energy: -61.760 bonds (distance) P-C4' energy: -55.664 flat angles C4'-P-C4' energy: -45.941 flat angles P-C4'-P energy: -29.378 tors. eta vs tors. theta energy: -26.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -303.417372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.417372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.417372 (E_RNA) where: Base-Base interactions energy: -102.298 where: short stacking energy: -70.335 Base-Backbone interact. energy: -0.364 local terms energy: -200.755983 where: bonds (distance) C4'-P energy: -57.868 bonds (distance) P-C4' energy: -43.889 flat angles C4'-P-C4' energy: -50.143 flat angles P-C4'-P energy: -45.730 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -262.608022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.608022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.608022 (E_RNA) where: Base-Base interactions energy: -89.585 where: short stacking energy: -75.774 Base-Backbone interact. energy: -1.440 local terms energy: -171.583029 where: bonds (distance) C4'-P energy: -43.777 bonds (distance) P-C4' energy: -60.963 flat angles C4'-P-C4' energy: -49.036 flat angles P-C4'-P energy: -26.239 tors. eta vs tors. theta energy: 8.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1112.834128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.834128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.834128 (E_RNA) where: Base-Base interactions energy: -784.091 where: short stacking energy: -342.076 Base-Backbone interact. energy: -0.079 local terms energy: -328.664143 where: bonds (distance) C4'-P energy: -58.721 bonds (distance) P-C4' energy: -54.842 flat angles C4'-P-C4' energy: -74.399 flat angles P-C4'-P energy: -42.442 tors. eta vs tors. theta energy: -98.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1096.024965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.024965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.024965 (E_RNA) where: Base-Base interactions energy: -790.578 where: short stacking energy: -308.048 Base-Backbone interact. energy: -1.746 local terms energy: -303.701523 where: bonds (distance) C4'-P energy: -57.971 bonds (distance) P-C4' energy: -52.446 flat angles C4'-P-C4' energy: -66.076 flat angles P-C4'-P energy: -34.722 tors. eta vs tors. theta energy: -92.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1016.606890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.606890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.606890 (E_RNA) where: Base-Base interactions energy: -692.956 where: short stacking energy: -328.849 Base-Backbone interact. energy: -0.205 local terms energy: -323.445946 where: bonds (distance) C4'-P energy: -53.074 bonds (distance) P-C4' energy: -58.670 flat angles C4'-P-C4' energy: -66.526 flat angles P-C4'-P energy: -47.551 tors. eta vs tors. theta energy: -97.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -982.487051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.487051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.487051 (E_RNA) where: Base-Base interactions energy: -679.887 where: short stacking energy: -266.034 Base-Backbone interact. energy: -1.091 local terms energy: -301.508857 where: bonds (distance) C4'-P energy: -63.659 bonds (distance) P-C4' energy: -52.324 flat angles C4'-P-C4' energy: -71.133 flat angles P-C4'-P energy: -40.114 tors. eta vs tors. theta energy: -74.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -921.244181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.244181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.244181 (E_RNA) where: Base-Base interactions energy: -613.958 where: short stacking energy: -257.353 Base-Backbone interact. energy: -1.749 local terms energy: -305.536886 where: bonds (distance) C4'-P energy: -63.243 bonds (distance) P-C4' energy: -62.967 flat angles C4'-P-C4' energy: -67.612 flat angles P-C4'-P energy: -40.676 tors. eta vs tors. theta energy: -71.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -819.022765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.022765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.022765 (E_RNA) where: Base-Base interactions energy: -528.858 where: short stacking energy: -262.120 Base-Backbone interact. energy: -1.569 local terms energy: -288.595811 where: bonds (distance) C4'-P energy: -51.647 bonds (distance) P-C4' energy: -65.916 flat angles C4'-P-C4' energy: -57.080 flat angles P-C4'-P energy: -49.512 tors. eta vs tors. theta energy: -64.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -604.870802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.870802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.870802 (E_RNA) where: Base-Base interactions energy: -357.624 where: short stacking energy: -186.376 Base-Backbone interact. energy: -1.053 local terms energy: -246.193044 where: bonds (distance) C4'-P energy: -49.549 bonds (distance) P-C4' energy: -62.039 flat angles C4'-P-C4' energy: -58.602 flat angles P-C4'-P energy: -36.636 tors. eta vs tors. theta energy: -39.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -549.685188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.685188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.685188 (E_RNA) where: Base-Base interactions energy: -316.961 where: short stacking energy: -147.712 Base-Backbone interact. energy: -1.728 local terms energy: -230.996210 where: bonds (distance) C4'-P energy: -53.823 bonds (distance) P-C4' energy: -62.695 flat angles C4'-P-C4' energy: -54.326 flat angles P-C4'-P energy: -30.047 tors. eta vs tors. theta energy: -30.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -277.108238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.108238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.108238 (E_RNA) where: Base-Base interactions energy: -123.304 where: short stacking energy: -78.921 Base-Backbone interact. energy: -0.498 local terms energy: -153.305960 where: bonds (distance) C4'-P energy: -52.454 bonds (distance) P-C4' energy: -48.532 flat angles C4'-P-C4' energy: -44.620 flat angles P-C4'-P energy: -19.220 tors. eta vs tors. theta energy: 11.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -325.867909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.867909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.867909 (E_RNA) where: Base-Base interactions energy: -136.296 where: short stacking energy: -97.813 Base-Backbone interact. energy: -0.808 local terms energy: -188.764423 where: bonds (distance) C4'-P energy: -49.336 bonds (distance) P-C4' energy: -45.860 flat angles C4'-P-C4' energy: -54.142 flat angles P-C4'-P energy: -32.877 tors. eta vs tors. theta energy: -6.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1132.780359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.780359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.780359 (E_RNA) where: Base-Base interactions energy: -781.134 where: short stacking energy: -337.058 Base-Backbone interact. energy: -1.489 local terms energy: -350.156854 where: bonds (distance) C4'-P energy: -69.631 bonds (distance) P-C4' energy: -59.667 flat angles C4'-P-C4' energy: -72.877 flat angles P-C4'-P energy: -51.747 tors. eta vs tors. theta energy: -96.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1124.658161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.658161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.658161 (E_RNA) where: Base-Base interactions energy: -799.739 where: short stacking energy: -324.562 Base-Backbone interact. energy: -0.475 local terms energy: -324.443799 where: bonds (distance) C4'-P energy: -63.932 bonds (distance) P-C4' energy: -52.856 flat angles C4'-P-C4' energy: -69.072 flat angles P-C4'-P energy: -43.356 tors. eta vs tors. theta energy: -95.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1026.341431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.341431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.341431 (E_RNA) where: Base-Base interactions energy: -693.813 where: short stacking energy: -321.652 Base-Backbone interact. energy: 0.508 local terms energy: -333.037232 where: bonds (distance) C4'-P energy: -57.816 bonds (distance) P-C4' energy: -64.301 flat angles C4'-P-C4' energy: -74.018 flat angles P-C4'-P energy: -35.911 tors. eta vs tors. theta energy: -100.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -980.353285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.353285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.353285 (E_RNA) where: Base-Base interactions energy: -678.209 where: short stacking energy: -274.377 Base-Backbone interact. energy: 2.324 local terms energy: -304.468481 where: bonds (distance) C4'-P energy: -58.060 bonds (distance) P-C4' energy: -60.430 flat angles C4'-P-C4' energy: -65.958 flat angles P-C4'-P energy: -41.462 tors. eta vs tors. theta energy: -78.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -936.665776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.665776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.665776 (E_RNA) where: Base-Base interactions energy: -637.218 where: short stacking energy: -273.595 Base-Backbone interact. energy: -1.954 local terms energy: -297.493104 where: bonds (distance) C4'-P energy: -65.754 bonds (distance) P-C4' energy: -60.473 flat angles C4'-P-C4' energy: -59.926 flat angles P-C4'-P energy: -41.993 tors. eta vs tors. theta energy: -69.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -797.906083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.906083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.906083 (E_RNA) where: Base-Base interactions energy: -523.921 where: short stacking energy: -234.828 Base-Backbone interact. energy: -1.678 local terms energy: -272.307741 where: bonds (distance) C4'-P energy: -53.042 bonds (distance) P-C4' energy: -55.187 flat angles C4'-P-C4' energy: -66.971 flat angles P-C4'-P energy: -41.163 tors. eta vs tors. theta energy: -55.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -592.505835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.505835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.505835 (E_RNA) where: Base-Base interactions energy: -352.003 where: short stacking energy: -169.640 Base-Backbone interact. energy: -2.705 local terms energy: -237.797748 where: bonds (distance) C4'-P energy: -58.351 bonds (distance) P-C4' energy: -55.437 flat angles C4'-P-C4' energy: -55.304 flat angles P-C4'-P energy: -32.250 tors. eta vs tors. theta energy: -36.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -556.042201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.042201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.042201 (E_RNA) where: Base-Base interactions energy: -319.050 where: short stacking energy: -153.128 Base-Backbone interact. energy: -0.895 local terms energy: -236.097768 where: bonds (distance) C4'-P energy: -50.322 bonds (distance) P-C4' energy: -58.674 flat angles C4'-P-C4' energy: -56.661 flat angles P-C4'-P energy: -33.483 tors. eta vs tors. theta energy: -36.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -300.381726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.381726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.381726 (E_RNA) where: Base-Base interactions energy: -116.823 where: short stacking energy: -75.279 Base-Backbone interact. energy: -0.765 local terms energy: -182.793892 where: bonds (distance) C4'-P energy: -49.848 bonds (distance) P-C4' energy: -50.991 flat angles C4'-P-C4' energy: -53.222 flat angles P-C4'-P energy: -37.215 tors. eta vs tors. theta energy: 8.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -262.883239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.883239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.883239 (E_RNA) where: Base-Base interactions energy: -95.310 where: short stacking energy: -77.896 Base-Backbone interact. energy: -1.056 local terms energy: -166.517447 where: bonds (distance) C4'-P energy: -55.198 bonds (distance) P-C4' energy: -51.226 flat angles C4'-P-C4' energy: -44.107 flat angles P-C4'-P energy: -19.755 tors. eta vs tors. theta energy: 3.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1141.361190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.361190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.361190 (E_RNA) where: Base-Base interactions energy: -787.981 where: short stacking energy: -344.458 Base-Backbone interact. energy: -1.443 local terms energy: -351.936490 where: bonds (distance) C4'-P energy: -71.617 bonds (distance) P-C4' energy: -57.005 flat angles C4'-P-C4' energy: -76.418 flat angles P-C4'-P energy: -49.591 tors. eta vs tors. theta energy: -97.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1121.407401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.407401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.407401 (E_RNA) where: Base-Base interactions energy: -794.295 where: short stacking energy: -338.025 Base-Backbone interact. energy: -1.584 local terms energy: -325.528071 where: bonds (distance) C4'-P energy: -51.967 bonds (distance) P-C4' energy: -65.620 flat angles C4'-P-C4' energy: -65.203 flat angles P-C4'-P energy: -48.591 tors. eta vs tors. theta energy: -94.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1002.867523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.867523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.867523 (E_RNA) where: Base-Base interactions energy: -695.665 where: short stacking energy: -283.562 Base-Backbone interact. energy: 4.544 local terms energy: -311.746058 where: bonds (distance) C4'-P energy: -58.838 bonds (distance) P-C4' energy: -63.507 flat angles C4'-P-C4' energy: -68.392 flat angles P-C4'-P energy: -40.079 tors. eta vs tors. theta energy: -80.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1001.583311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.583311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.583311 (E_RNA) where: Base-Base interactions energy: -665.191 where: short stacking energy: -287.831 Base-Backbone interact. energy: -1.332 local terms energy: -335.060232 where: bonds (distance) C4'-P energy: -64.644 bonds (distance) P-C4' energy: -59.862 flat angles C4'-P-C4' energy: -70.352 flat angles P-C4'-P energy: -41.792 tors. eta vs tors. theta energy: -98.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -927.251380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.251380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.251380 (E_RNA) where: Base-Base interactions energy: -632.486 where: short stacking energy: -277.729 Base-Backbone interact. energy: -3.366 local terms energy: -291.399037 where: bonds (distance) C4'-P energy: -52.773 bonds (distance) P-C4' energy: -58.595 flat angles C4'-P-C4' energy: -59.646 flat angles P-C4'-P energy: -37.441 tors. eta vs tors. theta energy: -82.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -798.178686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.178686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.178686 (E_RNA) where: Base-Base interactions energy: -508.858 where: short stacking energy: -237.980 Base-Backbone interact. energy: -2.000 local terms energy: -287.321095 where: bonds (distance) C4'-P energy: -64.338 bonds (distance) P-C4' energy: -55.076 flat angles C4'-P-C4' energy: -62.049 flat angles P-C4'-P energy: -40.765 tors. eta vs tors. theta energy: -65.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -643.190917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.190917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.190917 (E_RNA) where: Base-Base interactions energy: -397.897 where: short stacking energy: -193.732 Base-Backbone interact. energy: -0.683 local terms energy: -244.610689 where: bonds (distance) C4'-P energy: -46.111 bonds (distance) P-C4' energy: -52.255 flat angles C4'-P-C4' energy: -61.233 flat angles P-C4'-P energy: -31.424 tors. eta vs tors. theta energy: -53.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -531.121631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.121631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.121631 (E_RNA) where: Base-Base interactions energy: -304.578 where: short stacking energy: -164.860 Base-Backbone interact. energy: 7.768 local terms energy: -234.311419 where: bonds (distance) C4'-P energy: -59.621 bonds (distance) P-C4' energy: -56.968 flat angles C4'-P-C4' energy: -51.660 flat angles P-C4'-P energy: -35.634 tors. eta vs tors. theta energy: -30.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -286.588015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.588015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.588015 (E_RNA) where: Base-Base interactions energy: -102.220 where: short stacking energy: -91.608 Base-Backbone interact. energy: -0.846 local terms energy: -183.521804 where: bonds (distance) C4'-P energy: -53.947 bonds (distance) P-C4' energy: -58.112 flat angles C4'-P-C4' energy: -35.302 flat angles P-C4'-P energy: -29.063 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -271.649212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.649212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.649212 (E_RNA) where: Base-Base interactions energy: -75.784 where: short stacking energy: -64.152 Base-Backbone interact. energy: -2.210 local terms energy: -193.655145 where: bonds (distance) C4'-P energy: -59.266 bonds (distance) P-C4' energy: -50.015 flat angles C4'-P-C4' energy: -47.768 flat angles P-C4'-P energy: -38.304 tors. eta vs tors. theta energy: 1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1119.416044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.416044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.416044 (E_RNA) where: Base-Base interactions energy: -790.184 where: short stacking energy: -333.050 Base-Backbone interact. energy: 4.877 local terms energy: -334.109008 where: bonds (distance) C4'-P energy: -66.487 bonds (distance) P-C4' energy: -56.195 flat angles C4'-P-C4' energy: -64.302 flat angles P-C4'-P energy: -50.433 tors. eta vs tors. theta energy: -96.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1122.018772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.018772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.018772 (E_RNA) where: Base-Base interactions energy: -784.096 where: short stacking energy: -327.569 Base-Backbone interact. energy: -0.846 local terms energy: -337.076292 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -72.012 flat angles C4'-P-C4' energy: -61.959 flat angles P-C4'-P energy: -45.812 tors. eta vs tors. theta energy: -91.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1009.209061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.209061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.209061 (E_RNA) where: Base-Base interactions energy: -706.040 where: short stacking energy: -283.525 Base-Backbone interact. energy: -0.392 local terms energy: -302.776454 where: bonds (distance) C4'-P energy: -61.268 bonds (distance) P-C4' energy: -55.824 flat angles C4'-P-C4' energy: -54.834 flat angles P-C4'-P energy: -49.379 tors. eta vs tors. theta energy: -81.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1000.902750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.902750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.902750 (E_RNA) where: Base-Base interactions energy: -678.868 where: short stacking energy: -319.956 Base-Backbone interact. energy: -1.160 local terms energy: -320.875428 where: bonds (distance) C4'-P energy: -66.892 bonds (distance) P-C4' energy: -48.128 flat angles C4'-P-C4' energy: -60.577 flat angles P-C4'-P energy: -44.933 tors. eta vs tors. theta energy: -100.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -916.795540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.795540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.795540 (E_RNA) where: Base-Base interactions energy: -623.323 where: short stacking energy: -262.773 Base-Backbone interact. energy: -1.045 local terms energy: -292.427131 where: bonds (distance) C4'-P energy: -64.284 bonds (distance) P-C4' energy: -49.679 flat angles C4'-P-C4' energy: -66.029 flat angles P-C4'-P energy: -43.672 tors. eta vs tors. theta energy: -68.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -795.115683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.115683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.115683 (E_RNA) where: Base-Base interactions energy: -516.224 where: short stacking energy: -241.464 Base-Backbone interact. energy: -1.293 local terms energy: -277.598315 where: bonds (distance) C4'-P energy: -49.611 bonds (distance) P-C4' energy: -53.513 flat angles C4'-P-C4' energy: -72.020 flat angles P-C4'-P energy: -45.799 tors. eta vs tors. theta energy: -56.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -640.759750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.759750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.759750 (E_RNA) where: Base-Base interactions energy: -394.336 where: short stacking energy: -195.164 Base-Backbone interact. energy: 2.193 local terms energy: -248.617196 where: bonds (distance) C4'-P energy: -60.516 bonds (distance) P-C4' energy: -54.946 flat angles C4'-P-C4' energy: -47.171 flat angles P-C4'-P energy: -32.717 tors. eta vs tors. theta energy: -53.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -523.847672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.847672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.847672 (E_RNA) where: Base-Base interactions energy: -306.367 where: short stacking energy: -157.944 Base-Backbone interact. energy: -2.356 local terms energy: -215.124279 where: bonds (distance) C4'-P energy: -42.855 bonds (distance) P-C4' energy: -51.043 flat angles C4'-P-C4' energy: -59.254 flat angles P-C4'-P energy: -32.372 tors. eta vs tors. theta energy: -29.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -286.153831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.153831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.153831 (E_RNA) where: Base-Base interactions energy: -105.384 where: short stacking energy: -77.485 Base-Backbone interact. energy: -1.289 local terms energy: -179.481180 where: bonds (distance) C4'-P energy: -52.739 bonds (distance) P-C4' energy: -61.935 flat angles C4'-P-C4' energy: -45.389 flat angles P-C4'-P energy: -31.027 tors. eta vs tors. theta energy: 11.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -269.746357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.746357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.746357 (E_RNA) where: Base-Base interactions energy: -100.024 where: short stacking energy: -74.993 Base-Backbone interact. energy: -1.369 local terms energy: -168.354087 where: bonds (distance) C4'-P energy: -51.140 bonds (distance) P-C4' energy: -40.620 flat angles C4'-P-C4' energy: -47.288 flat angles P-C4'-P energy: -38.695 tors. eta vs tors. theta energy: 9.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1135.576654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.576654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.576654 (E_RNA) where: Base-Base interactions energy: -792.936 where: short stacking energy: -307.322 Base-Backbone interact. energy: -2.239 local terms energy: -340.401440 where: bonds (distance) C4'-P energy: -61.146 bonds (distance) P-C4' energy: -64.065 flat angles C4'-P-C4' energy: -77.740 flat angles P-C4'-P energy: -41.331 tors. eta vs tors. theta energy: -96.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1103.701484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.701484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.701484 (E_RNA) where: Base-Base interactions energy: -781.447 where: short stacking energy: -326.013 Base-Backbone interact. energy: 5.319 local terms energy: -327.573861 where: bonds (distance) C4'-P energy: -63.419 bonds (distance) P-C4' energy: -53.461 flat angles C4'-P-C4' energy: -71.960 flat angles P-C4'-P energy: -43.714 tors. eta vs tors. theta energy: -95.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1015.676247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.676247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.676247 (E_RNA) where: Base-Base interactions energy: -685.739 where: short stacking energy: -292.426 Base-Backbone interact. energy: -0.393 local terms energy: -329.544581 where: bonds (distance) C4'-P energy: -64.856 bonds (distance) P-C4' energy: -65.704 flat angles C4'-P-C4' energy: -71.489 flat angles P-C4'-P energy: -37.612 tors. eta vs tors. theta energy: -89.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -973.346413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.346413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.346413 (E_RNA) where: Base-Base interactions energy: -662.530 where: short stacking energy: -261.304 Base-Backbone interact. energy: -2.055 local terms energy: -308.761202 where: bonds (distance) C4'-P energy: -66.042 bonds (distance) P-C4' energy: -65.560 flat angles C4'-P-C4' energy: -69.527 flat angles P-C4'-P energy: -29.231 tors. eta vs tors. theta energy: -78.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -935.079848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.079848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.079848 (E_RNA) where: Base-Base interactions energy: -631.444 where: short stacking energy: -272.870 Base-Backbone interact. energy: -1.632 local terms energy: -302.004394 where: bonds (distance) C4'-P energy: -63.629 bonds (distance) P-C4' energy: -63.234 flat angles C4'-P-C4' energy: -64.524 flat angles P-C4'-P energy: -38.742 tors. eta vs tors. theta energy: -71.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -811.298206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.298206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.298206 (E_RNA) where: Base-Base interactions energy: -512.397 where: short stacking energy: -236.842 Base-Backbone interact. energy: 0.082 local terms energy: -298.983927 where: bonds (distance) C4'-P energy: -56.002 bonds (distance) P-C4' energy: -66.136 flat angles C4'-P-C4' energy: -62.530 flat angles P-C4'-P energy: -48.261 tors. eta vs tors. theta energy: -66.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -663.843292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.843292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.843292 (E_RNA) where: Base-Base interactions energy: -425.337 where: short stacking energy: -204.795 Base-Backbone interact. energy: -0.975 local terms energy: -237.530628 where: bonds (distance) C4'-P energy: -51.362 bonds (distance) P-C4' energy: -58.699 flat angles C4'-P-C4' energy: -59.035 flat angles P-C4'-P energy: -30.176 tors. eta vs tors. theta energy: -38.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -509.981803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.981803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.981803 (E_RNA) where: Base-Base interactions energy: -294.470 where: short stacking energy: -163.251 Base-Backbone interact. energy: -0.130 local terms energy: -215.381912 where: bonds (distance) C4'-P energy: -34.120 bonds (distance) P-C4' energy: -49.614 flat angles C4'-P-C4' energy: -59.927 flat angles P-C4'-P energy: -36.780 tors. eta vs tors. theta energy: -34.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -284.193837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.193837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.193837 (E_RNA) where: Base-Base interactions energy: -112.969 where: short stacking energy: -94.100 Base-Backbone interact. energy: 5.775 local terms energy: -176.999764 where: bonds (distance) C4'-P energy: -51.558 bonds (distance) P-C4' energy: -60.181 flat angles C4'-P-C4' energy: -48.516 flat angles P-C4'-P energy: -26.511 tors. eta vs tors. theta energy: 9.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -273.671455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.671455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.671455 (E_RNA) where: Base-Base interactions energy: -107.143 where: short stacking energy: -81.344 Base-Backbone interact. energy: -0.774 local terms energy: -165.753851 where: bonds (distance) C4'-P energy: -55.492 bonds (distance) P-C4' energy: -60.643 flat angles C4'-P-C4' energy: -33.234 flat angles P-C4'-P energy: -21.968 tors. eta vs tors. theta energy: 5.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1146.781326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.781326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.781326 (E_RNA) where: Base-Base interactions energy: -792.526 where: short stacking energy: -329.161 Base-Backbone interact. energy: 1.304 local terms energy: -355.558764 where: bonds (distance) C4'-P energy: -65.240 bonds (distance) P-C4' energy: -73.307 flat angles C4'-P-C4' energy: -68.155 flat angles P-C4'-P energy: -54.039 tors. eta vs tors. theta energy: -94.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1121.890203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.890203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.890203 (E_RNA) where: Base-Base interactions energy: -785.163 where: short stacking energy: -342.151 Base-Backbone interact. energy: 5.587 local terms energy: -342.313921 where: bonds (distance) C4'-P energy: -61.770 bonds (distance) P-C4' energy: -58.169 flat angles C4'-P-C4' energy: -70.812 flat angles P-C4'-P energy: -50.652 tors. eta vs tors. theta energy: -100.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1011.618870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.618870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.618870 (E_RNA) where: Base-Base interactions energy: -676.034 where: short stacking energy: -312.994 Base-Backbone interact. energy: 0.700 local terms energy: -336.285264 where: bonds (distance) C4'-P energy: -67.781 bonds (distance) P-C4' energy: -61.672 flat angles C4'-P-C4' energy: -65.563 flat angles P-C4'-P energy: -49.965 tors. eta vs tors. theta energy: -91.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1004.412652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.412652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.412652 (E_RNA) where: Base-Base interactions energy: -683.404 where: short stacking energy: -278.064 Base-Backbone interact. energy: 1.937 local terms energy: -322.945807 where: bonds (distance) C4'-P energy: -67.285 bonds (distance) P-C4' energy: -75.552 flat angles C4'-P-C4' energy: -62.808 flat angles P-C4'-P energy: -37.017 tors. eta vs tors. theta energy: -80.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -929.396067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.396067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.396067 (E_RNA) where: Base-Base interactions energy: -636.770 where: short stacking energy: -261.762 Base-Backbone interact. energy: -1.105 local terms energy: -291.521920 where: bonds (distance) C4'-P energy: -58.929 bonds (distance) P-C4' energy: -55.466 flat angles C4'-P-C4' energy: -63.196 flat angles P-C4'-P energy: -41.557 tors. eta vs tors. theta energy: -72.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -808.847849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.847849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.847849 (E_RNA) where: Base-Base interactions energy: -538.524 where: short stacking energy: -238.856 Base-Backbone interact. energy: -1.890 local terms energy: -268.433843 where: bonds (distance) C4'-P energy: -47.788 bonds (distance) P-C4' energy: -59.153 flat angles C4'-P-C4' energy: -61.680 flat angles P-C4'-P energy: -42.163 tors. eta vs tors. theta energy: -57.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -701.596256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.596256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.596256 (E_RNA) where: Base-Base interactions energy: -429.731 where: short stacking energy: -217.425 Base-Backbone interact. energy: 0.305 local terms energy: -272.169802 where: bonds (distance) C4'-P energy: -49.124 bonds (distance) P-C4' energy: -66.133 flat angles C4'-P-C4' energy: -67.162 flat angles P-C4'-P energy: -39.144 tors. eta vs tors. theta energy: -50.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -488.027632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.027632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.027632 (E_RNA) where: Base-Base interactions energy: -268.241 where: short stacking energy: -132.476 Base-Backbone interact. energy: -0.752 local terms energy: -219.034454 where: bonds (distance) C4'-P energy: -49.871 bonds (distance) P-C4' energy: -57.949 flat angles C4'-P-C4' energy: -58.167 flat angles P-C4'-P energy: -28.689 tors. eta vs tors. theta energy: -24.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -289.318866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.318866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.318866 (E_RNA) where: Base-Base interactions energy: -111.593 where: short stacking energy: -82.276 Base-Backbone interact. energy: -1.150 local terms energy: -176.576268 where: bonds (distance) C4'-P energy: -53.100 bonds (distance) P-C4' energy: -57.862 flat angles C4'-P-C4' energy: -51.320 flat angles P-C4'-P energy: -19.538 tors. eta vs tors. theta energy: 5.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -272.036921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.036921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.036921 (E_RNA) where: Base-Base interactions energy: -89.004 where: short stacking energy: -76.833 Base-Backbone interact. energy: 0.674 local terms energy: -183.706247 where: bonds (distance) C4'-P energy: -55.463 bonds (distance) P-C4' energy: -59.244 flat angles C4'-P-C4' energy: -38.712 flat angles P-C4'-P energy: -31.398 tors. eta vs tors. theta energy: 1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1147.018551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.018551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.018551 (E_RNA) where: Base-Base interactions energy: -791.315 where: short stacking energy: -329.434 Base-Backbone interact. energy: 1.313 local terms energy: -357.016642 where: bonds (distance) C4'-P energy: -67.086 bonds (distance) P-C4' energy: -73.809 flat angles C4'-P-C4' energy: -67.903 flat angles P-C4'-P energy: -53.326 tors. eta vs tors. theta energy: -94.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1091.915638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.915638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.915638 (E_RNA) where: Base-Base interactions energy: -774.041 where: short stacking energy: -326.555 Base-Backbone interact. energy: -0.948 local terms energy: -316.926400 where: bonds (distance) C4'-P energy: -55.101 bonds (distance) P-C4' energy: -56.502 flat angles C4'-P-C4' energy: -71.306 flat angles P-C4'-P energy: -43.025 tors. eta vs tors. theta energy: -90.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1002.242206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.242206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.242206 (E_RNA) where: Base-Base interactions energy: -656.265 where: short stacking energy: -301.315 Base-Backbone interact. energy: -1.138 local terms energy: -344.838680 where: bonds (distance) C4'-P energy: -61.537 bonds (distance) P-C4' energy: -67.461 flat angles C4'-P-C4' energy: -74.244 flat angles P-C4'-P energy: -54.010 tors. eta vs tors. theta energy: -87.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1005.942785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.942785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.942785 (E_RNA) where: Base-Base interactions energy: -704.178 where: short stacking energy: -267.465 Base-Backbone interact. energy: -1.962 local terms energy: -299.802757 where: bonds (distance) C4'-P energy: -56.702 bonds (distance) P-C4' energy: -55.935 flat angles C4'-P-C4' energy: -68.181 flat angles P-C4'-P energy: -37.806 tors. eta vs tors. theta energy: -81.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -927.846520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.846520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.846520 (E_RNA) where: Base-Base interactions energy: -623.751 where: short stacking energy: -264.507 Base-Backbone interact. energy: 2.322 local terms energy: -306.417158 where: bonds (distance) C4'-P energy: -59.288 bonds (distance) P-C4' energy: -56.472 flat angles C4'-P-C4' energy: -65.342 flat angles P-C4'-P energy: -45.849 tors. eta vs tors. theta energy: -79.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -811.556182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.556182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.556182 (E_RNA) where: Base-Base interactions energy: -537.337 where: short stacking energy: -240.403 Base-Backbone interact. energy: -1.293 local terms energy: -272.926703 where: bonds (distance) C4'-P energy: -52.452 bonds (distance) P-C4' energy: -54.053 flat angles C4'-P-C4' energy: -60.396 flat angles P-C4'-P energy: -43.270 tors. eta vs tors. theta energy: -62.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -664.113625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.113625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.113625 (E_RNA) where: Base-Base interactions energy: -417.304 where: short stacking energy: -198.431 Base-Backbone interact. energy: 2.310 local terms energy: -249.119814 where: bonds (distance) C4'-P energy: -46.749 bonds (distance) P-C4' energy: -64.412 flat angles C4'-P-C4' energy: -49.931 flat angles P-C4'-P energy: -41.208 tors. eta vs tors. theta energy: -46.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -517.056821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.056821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.056821 (E_RNA) where: Base-Base interactions energy: -290.832 where: short stacking energy: -137.544 Base-Backbone interact. energy: -0.676 local terms energy: -225.548915 where: bonds (distance) C4'-P energy: -51.678 bonds (distance) P-C4' energy: -61.709 flat angles C4'-P-C4' energy: -54.332 flat angles P-C4'-P energy: -37.363 tors. eta vs tors. theta energy: -20.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -282.779754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.779754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.779754 (E_RNA) where: Base-Base interactions energy: -105.169 where: short stacking energy: -69.504 Base-Backbone interact. energy: -0.460 local terms energy: -177.151209 where: bonds (distance) C4'-P energy: -54.348 bonds (distance) P-C4' energy: -61.988 flat angles C4'-P-C4' energy: -51.400 flat angles P-C4'-P energy: -27.983 tors. eta vs tors. theta energy: 18.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -268.665185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.665185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.665185 (E_RNA) where: Base-Base interactions energy: -89.447 where: short stacking energy: -79.064 Base-Backbone interact. energy: -1.989 local terms energy: -177.228775 where: bonds (distance) C4'-P energy: -55.735 bonds (distance) P-C4' energy: -46.766 flat angles C4'-P-C4' energy: -53.114 flat angles P-C4'-P energy: -25.733 tors. eta vs tors. theta energy: 4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1127.054386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.054386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.054386 (E_RNA) where: Base-Base interactions energy: -783.182 where: short stacking energy: -310.838 Base-Backbone interact. energy: -1.722 local terms energy: -342.150438 where: bonds (distance) C4'-P energy: -57.208 bonds (distance) P-C4' energy: -57.230 flat angles C4'-P-C4' energy: -72.893 flat angles P-C4'-P energy: -58.731 tors. eta vs tors. theta energy: -96.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1142.167578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.167578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.167578 (E_RNA) where: Base-Base interactions energy: -784.078 where: short stacking energy: -338.201 Base-Backbone interact. energy: -1.677 local terms energy: -356.413021 where: bonds (distance) C4'-P energy: -62.691 bonds (distance) P-C4' energy: -71.581 flat angles C4'-P-C4' energy: -71.141 flat angles P-C4'-P energy: -49.560 tors. eta vs tors. theta energy: -101.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -986.966425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.966425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.966425 (E_RNA) where: Base-Base interactions energy: -677.021 where: short stacking energy: -294.880 Base-Backbone interact. energy: 1.607 local terms energy: -311.553088 where: bonds (distance) C4'-P energy: -60.795 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -73.543 flat angles P-C4'-P energy: -36.242 tors. eta vs tors. theta energy: -78.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -955.476071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.476071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.476071 (E_RNA) where: Base-Base interactions energy: -645.006 where: short stacking energy: -276.599 Base-Backbone interact. energy: 2.577 local terms energy: -313.046456 where: bonds (distance) C4'-P energy: -57.548 bonds (distance) P-C4' energy: -66.276 flat angles C4'-P-C4' energy: -66.701 flat angles P-C4'-P energy: -44.253 tors. eta vs tors. theta energy: -78.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -960.486728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.486728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.486728 (E_RNA) where: Base-Base interactions energy: -667.540 where: short stacking energy: -269.936 Base-Backbone interact. energy: 0.887 local terms energy: -293.834073 where: bonds (distance) C4'-P energy: -63.814 bonds (distance) P-C4' energy: -63.147 flat angles C4'-P-C4' energy: -65.424 flat angles P-C4'-P energy: -28.432 tors. eta vs tors. theta energy: -73.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -823.010340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.010340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.010340 (E_RNA) where: Base-Base interactions energy: -540.965 where: short stacking energy: -246.970 Base-Backbone interact. energy: -1.143 local terms energy: -280.902370 where: bonds (distance) C4'-P energy: -53.083 bonds (distance) P-C4' energy: -59.372 flat angles C4'-P-C4' energy: -58.601 flat angles P-C4'-P energy: -46.908 tors. eta vs tors. theta energy: -62.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -686.921567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.921567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.921567 (E_RNA) where: Base-Base interactions energy: -440.845 where: short stacking energy: -216.136 Base-Backbone interact. energy: 3.712 local terms energy: -249.789018 where: bonds (distance) C4'-P energy: -52.871 bonds (distance) P-C4' energy: -49.057 flat angles C4'-P-C4' energy: -61.754 flat angles P-C4'-P energy: -34.370 tors. eta vs tors. theta energy: -51.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -571.264633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.264633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.264633 (E_RNA) where: Base-Base interactions energy: -339.621 where: short stacking energy: -180.060 Base-Backbone interact. energy: -1.479 local terms energy: -230.163903 where: bonds (distance) C4'-P energy: -50.163 bonds (distance) P-C4' energy: -60.083 flat angles C4'-P-C4' energy: -55.037 flat angles P-C4'-P energy: -40.805 tors. eta vs tors. theta energy: -24.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -309.535619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.535619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.535619 (E_RNA) where: Base-Base interactions energy: -116.384 where: short stacking energy: -107.876 Base-Backbone interact. energy: 1.530 local terms energy: -194.681881 where: bonds (distance) C4'-P energy: -51.893 bonds (distance) P-C4' energy: -47.929 flat angles C4'-P-C4' energy: -51.660 flat angles P-C4'-P energy: -38.227 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -264.281948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.281948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.281948 (E_RNA) where: Base-Base interactions energy: -75.441 where: short stacking energy: -46.889 Base-Backbone interact. energy: -0.146 local terms energy: -188.694301 where: bonds (distance) C4'-P energy: -63.001 bonds (distance) P-C4' energy: -53.225 flat angles C4'-P-C4' energy: -43.409 flat angles P-C4'-P energy: -38.254 tors. eta vs tors. theta energy: 9.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1134.548006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.548006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.548006 (E_RNA) where: Base-Base interactions energy: -786.465 where: short stacking energy: -325.176 Base-Backbone interact. energy: -1.745 local terms energy: -346.337803 where: bonds (distance) C4'-P energy: -59.330 bonds (distance) P-C4' energy: -71.909 flat angles C4'-P-C4' energy: -74.307 flat angles P-C4'-P energy: -45.368 tors. eta vs tors. theta energy: -95.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1113.436234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.436234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.436234 (E_RNA) where: Base-Base interactions energy: -774.772 where: short stacking energy: -302.454 Base-Backbone interact. energy: -1.166 local terms energy: -337.498153 where: bonds (distance) C4'-P energy: -54.791 bonds (distance) P-C4' energy: -71.855 flat angles C4'-P-C4' energy: -73.348 flat angles P-C4'-P energy: -46.923 tors. eta vs tors. theta energy: -90.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -965.974253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.974253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.974253 (E_RNA) where: Base-Base interactions energy: -659.172 where: short stacking energy: -288.982 Base-Backbone interact. energy: -0.927 local terms energy: -305.875728 where: bonds (distance) C4'-P energy: -52.494 bonds (distance) P-C4' energy: -58.729 flat angles C4'-P-C4' energy: -67.293 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: -88.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -956.953876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.953876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.953876 (E_RNA) where: Base-Base interactions energy: -635.012 where: short stacking energy: -271.543 Base-Backbone interact. energy: 0.762 local terms energy: -322.704089 where: bonds (distance) C4'-P energy: -62.065 bonds (distance) P-C4' energy: -63.421 flat angles C4'-P-C4' energy: -69.046 flat angles P-C4'-P energy: -44.076 tors. eta vs tors. theta energy: -84.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -973.323995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.323995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.323995 (E_RNA) where: Base-Base interactions energy: -684.280 where: short stacking energy: -266.911 Base-Backbone interact. energy: -0.595 local terms energy: -288.449031 where: bonds (distance) C4'-P energy: -49.642 bonds (distance) P-C4' energy: -56.700 flat angles C4'-P-C4' energy: -62.944 flat angles P-C4'-P energy: -43.493 tors. eta vs tors. theta energy: -75.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -789.910911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.910911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.910911 (E_RNA) where: Base-Base interactions energy: -504.765 where: short stacking energy: -234.005 Base-Backbone interact. energy: -2.568 local terms energy: -282.577941 where: bonds (distance) C4'-P energy: -55.548 bonds (distance) P-C4' energy: -60.673 flat angles C4'-P-C4' energy: -60.674 flat angles P-C4'-P energy: -41.630 tors. eta vs tors. theta energy: -64.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -661.056482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.056482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.056482 (E_RNA) where: Base-Base interactions energy: -388.979 where: short stacking energy: -187.468 Base-Backbone interact. energy: 0.588 local terms energy: -272.665518 where: bonds (distance) C4'-P energy: -58.167 bonds (distance) P-C4' energy: -70.499 flat angles C4'-P-C4' energy: -57.632 flat angles P-C4'-P energy: -41.183 tors. eta vs tors. theta energy: -45.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -607.658845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.658845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.658845 (E_RNA) where: Base-Base interactions energy: -346.350 where: short stacking energy: -193.747 Base-Backbone interact. energy: -0.949 local terms energy: -260.359022 where: bonds (distance) C4'-P energy: -46.235 bonds (distance) P-C4' energy: -63.872 flat angles C4'-P-C4' energy: -64.775 flat angles P-C4'-P energy: -43.134 tors. eta vs tors. theta energy: -42.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -316.114854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.114854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.114854 (E_RNA) where: Base-Base interactions energy: -131.201 where: short stacking energy: -98.930 Base-Backbone interact. energy: -1.116 local terms energy: -183.798209 where: bonds (distance) C4'-P energy: -51.345 bonds (distance) P-C4' energy: -54.220 flat angles C4'-P-C4' energy: -53.614 flat angles P-C4'-P energy: -28.052 tors. eta vs tors. theta energy: 3.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -265.211371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.211371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.211371 (E_RNA) where: Base-Base interactions energy: -104.671 where: short stacking energy: -71.715 Base-Backbone interact. energy: -0.199 local terms energy: -160.341670 where: bonds (distance) C4'-P energy: -54.955 bonds (distance) P-C4' energy: -43.136 flat angles C4'-P-C4' energy: -43.261 flat angles P-C4'-P energy: -26.451 tors. eta vs tors. theta energy: 7.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1130.854223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.854223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.854223 (E_RNA) where: Base-Base interactions energy: -791.889 where: short stacking energy: -329.841 Base-Backbone interact. energy: -2.078 local terms energy: -336.886587 where: bonds (distance) C4'-P energy: -58.181 bonds (distance) P-C4' energy: -62.972 flat angles C4'-P-C4' energy: -74.911 flat angles P-C4'-P energy: -48.088 tors. eta vs tors. theta energy: -92.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1104.393906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.393906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.393906 (E_RNA) where: Base-Base interactions energy: -773.886 where: short stacking energy: -304.122 Base-Backbone interact. energy: -1.459 local terms energy: -329.049364 where: bonds (distance) C4'-P energy: -55.886 bonds (distance) P-C4' energy: -61.758 flat angles C4'-P-C4' energy: -72.803 flat angles P-C4'-P energy: -48.557 tors. eta vs tors. theta energy: -90.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1004.331788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.331788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.331788 (E_RNA) where: Base-Base interactions energy: -668.555 where: short stacking energy: -291.772 Base-Backbone interact. energy: -0.224 local terms energy: -335.552224 where: bonds (distance) C4'-P energy: -57.781 bonds (distance) P-C4' energy: -62.075 flat angles C4'-P-C4' energy: -74.477 flat angles P-C4'-P energy: -56.129 tors. eta vs tors. theta energy: -85.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -995.703988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.703988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.703988 (E_RNA) where: Base-Base interactions energy: -675.170 where: short stacking energy: -291.813 Base-Backbone interact. energy: -1.405 local terms energy: -319.128758 where: bonds (distance) C4'-P energy: -63.550 bonds (distance) P-C4' energy: -64.538 flat angles C4'-P-C4' energy: -70.715 flat angles P-C4'-P energy: -38.976 tors. eta vs tors. theta energy: -81.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -915.042951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.042951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.042951 (E_RNA) where: Base-Base interactions energy: -631.297 where: short stacking energy: -261.529 Base-Backbone interact. energy: -3.248 local terms energy: -280.497795 where: bonds (distance) C4'-P energy: -61.827 bonds (distance) P-C4' energy: -57.897 flat angles C4'-P-C4' energy: -55.551 flat angles P-C4'-P energy: -31.719 tors. eta vs tors. theta energy: -73.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -787.267707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.267707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.267707 (E_RNA) where: Base-Base interactions energy: -518.529 where: short stacking energy: -239.495 Base-Backbone interact. energy: -1.522 local terms energy: -267.216733 where: bonds (distance) C4'-P energy: -45.103 bonds (distance) P-C4' energy: -57.238 flat angles C4'-P-C4' energy: -61.801 flat angles P-C4'-P energy: -46.441 tors. eta vs tors. theta energy: -56.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -676.914050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.914050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.914050 (E_RNA) where: Base-Base interactions energy: -418.994 where: short stacking energy: -209.101 Base-Backbone interact. energy: -2.468 local terms energy: -255.451919 where: bonds (distance) C4'-P energy: -51.966 bonds (distance) P-C4' energy: -64.290 flat angles C4'-P-C4' energy: -53.216 flat angles P-C4'-P energy: -37.073 tors. eta vs tors. theta energy: -48.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -610.855343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.855343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.855343 (E_RNA) where: Base-Base interactions energy: -383.122 where: short stacking energy: -187.856 Base-Backbone interact. energy: -0.720 local terms energy: -227.013221 where: bonds (distance) C4'-P energy: -49.595 bonds (distance) P-C4' energy: -65.767 flat angles C4'-P-C4' energy: -48.762 flat angles P-C4'-P energy: -27.382 tors. eta vs tors. theta energy: -35.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -287.109511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.109511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.109511 (E_RNA) where: Base-Base interactions energy: -95.244 where: short stacking energy: -85.533 Base-Backbone interact. energy: -2.673 local terms energy: -189.193101 where: bonds (distance) C4'-P energy: -40.652 bonds (distance) P-C4' energy: -55.338 flat angles C4'-P-C4' energy: -65.244 flat angles P-C4'-P energy: -25.243 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -259.162082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.162082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.162082 (E_RNA) where: Base-Base interactions energy: -105.241 where: short stacking energy: -99.210 Base-Backbone interact. energy: 1.032 local terms energy: -154.952505 where: bonds (distance) C4'-P energy: -40.847 bonds (distance) P-C4' energy: -54.992 flat angles C4'-P-C4' energy: -32.247 flat angles P-C4'-P energy: -30.129 tors. eta vs tors. theta energy: 3.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1128.457193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.457193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.457193 (E_RNA) where: Base-Base interactions energy: -793.915 where: short stacking energy: -319.815 Base-Backbone interact. energy: -1.007 local terms energy: -333.535827 where: bonds (distance) C4'-P energy: -71.379 bonds (distance) P-C4' energy: -62.184 flat angles C4'-P-C4' energy: -67.233 flat angles P-C4'-P energy: -44.786 tors. eta vs tors. theta energy: -87.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1115.211406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.211406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.211406 (E_RNA) where: Base-Base interactions energy: -772.922 where: short stacking energy: -320.275 Base-Backbone interact. energy: -1.877 local terms energy: -340.412288 where: bonds (distance) C4'-P energy: -60.796 bonds (distance) P-C4' energy: -65.271 flat angles C4'-P-C4' energy: -69.684 flat angles P-C4'-P energy: -50.719 tors. eta vs tors. theta energy: -93.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1042.958185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.958185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.958185 (E_RNA) where: Base-Base interactions energy: -716.402 where: short stacking energy: -291.730 Base-Backbone interact. energy: 1.832 local terms energy: -328.389121 where: bonds (distance) C4'-P energy: -63.823 bonds (distance) P-C4' energy: -59.620 flat angles C4'-P-C4' energy: -71.670 flat angles P-C4'-P energy: -46.569 tors. eta vs tors. theta energy: -86.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -984.453645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.453645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.453645 (E_RNA) where: Base-Base interactions energy: -660.002 where: short stacking energy: -304.831 Base-Backbone interact. energy: -1.982 local terms energy: -322.470116 where: bonds (distance) C4'-P energy: -51.463 bonds (distance) P-C4' energy: -62.482 flat angles C4'-P-C4' energy: -65.169 flat angles P-C4'-P energy: -47.920 tors. eta vs tors. theta energy: -95.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -930.680701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.680701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.680701 (E_RNA) where: Base-Base interactions energy: -649.791 where: short stacking energy: -267.079 Base-Backbone interact. energy: -0.142 local terms energy: -280.747168 where: bonds (distance) C4'-P energy: -54.395 bonds (distance) P-C4' energy: -66.998 flat angles C4'-P-C4' energy: -53.882 flat angles P-C4'-P energy: -36.701 tors. eta vs tors. theta energy: -68.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -780.128059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.128059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.128059 (E_RNA) where: Base-Base interactions energy: -497.449 where: short stacking energy: -226.990 Base-Backbone interact. energy: -0.908 local terms energy: -281.771342 where: bonds (distance) C4'-P energy: -51.562 bonds (distance) P-C4' energy: -63.796 flat angles C4'-P-C4' energy: -67.355 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -52.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -564.651069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.651069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.651069 (E_RNA) where: Base-Base interactions energy: -314.058 where: short stacking energy: -173.835 Base-Backbone interact. energy: -1.176 local terms energy: -249.416607 where: bonds (distance) C4'-P energy: -60.245 bonds (distance) P-C4' energy: -65.633 flat angles C4'-P-C4' energy: -57.646 flat angles P-C4'-P energy: -25.222 tors. eta vs tors. theta energy: -40.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -634.756016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.756016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.756016 (E_RNA) where: Base-Base interactions energy: -374.851 where: short stacking energy: -200.731 Base-Backbone interact. energy: -0.216 local terms energy: -259.689483 where: bonds (distance) C4'-P energy: -48.171 bonds (distance) P-C4' energy: -56.018 flat angles C4'-P-C4' energy: -56.402 flat angles P-C4'-P energy: -46.842 tors. eta vs tors. theta energy: -52.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -287.921782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.921782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.921782 (E_RNA) where: Base-Base interactions energy: -103.542 where: short stacking energy: -96.718 Base-Backbone interact. energy: -0.907 local terms energy: -183.472152 where: bonds (distance) C4'-P energy: -55.110 bonds (distance) P-C4' energy: -52.548 flat angles C4'-P-C4' energy: -43.346 flat angles P-C4'-P energy: -29.272 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -288.112052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.112052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.112052 (E_RNA) where: Base-Base interactions energy: -103.159 where: short stacking energy: -84.708 Base-Backbone interact. energy: 0.759 local terms energy: -185.712017 where: bonds (distance) C4'-P energy: -46.184 bonds (distance) P-C4' energy: -63.297 flat angles C4'-P-C4' energy: -57.430 flat angles P-C4'-P energy: -19.529 tors. eta vs tors. theta energy: 0.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1138.150403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.150403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.150403 (E_RNA) where: Base-Base interactions energy: -782.915 where: short stacking energy: -322.569 Base-Backbone interact. energy: -2.127 local terms energy: -353.108246 where: bonds (distance) C4'-P energy: -61.040 bonds (distance) P-C4' energy: -73.915 flat angles C4'-P-C4' energy: -71.760 flat angles P-C4'-P energy: -55.608 tors. eta vs tors. theta energy: -90.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1119.079472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.079472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.079472 (E_RNA) where: Base-Base interactions energy: -792.780 where: short stacking energy: -342.462 Base-Backbone interact. energy: -0.501 local terms energy: -325.799176 where: bonds (distance) C4'-P energy: -61.781 bonds (distance) P-C4' energy: -64.998 flat angles C4'-P-C4' energy: -68.088 flat angles P-C4'-P energy: -34.143 tors. eta vs tors. theta energy: -96.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1037.573779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.573779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.573779 (E_RNA) where: Base-Base interactions energy: -712.217 where: short stacking energy: -294.266 Base-Backbone interact. energy: -1.734 local terms energy: -323.623273 where: bonds (distance) C4'-P energy: -51.710 bonds (distance) P-C4' energy: -61.379 flat angles C4'-P-C4' energy: -69.332 flat angles P-C4'-P energy: -53.161 tors. eta vs tors. theta energy: -88.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -970.484721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.484721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.484721 (E_RNA) where: Base-Base interactions energy: -667.570 where: short stacking energy: -304.650 Base-Backbone interact. energy: -0.450 local terms energy: -302.465431 where: bonds (distance) C4'-P energy: -58.753 bonds (distance) P-C4' energy: -45.304 flat angles C4'-P-C4' energy: -66.900 flat angles P-C4'-P energy: -46.869 tors. eta vs tors. theta energy: -84.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -945.656811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.656811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.656811 (E_RNA) where: Base-Base interactions energy: -650.323 where: short stacking energy: -264.909 Base-Backbone interact. energy: -2.987 local terms energy: -292.346384 where: bonds (distance) C4'-P energy: -46.705 bonds (distance) P-C4' energy: -63.099 flat angles C4'-P-C4' energy: -67.289 flat angles P-C4'-P energy: -39.359 tors. eta vs tors. theta energy: -75.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -783.783904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.783904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.783904 (E_RNA) where: Base-Base interactions energy: -499.767 where: short stacking energy: -243.408 Base-Backbone interact. energy: -0.531 local terms energy: -283.485379 where: bonds (distance) C4'-P energy: -57.133 bonds (distance) P-C4' energy: -58.738 flat angles C4'-P-C4' energy: -60.440 flat angles P-C4'-P energy: -45.977 tors. eta vs tors. theta energy: -61.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -549.911258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.911258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.911258 (E_RNA) where: Base-Base interactions energy: -311.270 where: short stacking energy: -161.346 Base-Backbone interact. energy: -1.575 local terms energy: -237.066598 where: bonds (distance) C4'-P energy: -64.951 bonds (distance) P-C4' energy: -51.998 flat angles C4'-P-C4' energy: -56.649 flat angles P-C4'-P energy: -41.921 tors. eta vs tors. theta energy: -21.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -631.019225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.019225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.019225 (E_RNA) where: Base-Base interactions energy: -395.850 where: short stacking energy: -184.556 Base-Backbone interact. energy: 0.600 local terms energy: -235.769242 where: bonds (distance) C4'-P energy: -40.798 bonds (distance) P-C4' energy: -56.564 flat angles C4'-P-C4' energy: -60.084 flat angles P-C4'-P energy: -43.314 tors. eta vs tors. theta energy: -35.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -286.042719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.042719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.042719 (E_RNA) where: Base-Base interactions energy: -110.860 where: short stacking energy: -98.458 Base-Backbone interact. energy: -0.722 local terms energy: -174.461014 where: bonds (distance) C4'-P energy: -51.445 bonds (distance) P-C4' energy: -62.822 flat angles C4'-P-C4' energy: -34.192 flat angles P-C4'-P energy: -31.146 tors. eta vs tors. theta energy: 5.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -283.533441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.533441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.533441 (E_RNA) where: Base-Base interactions energy: -115.866 where: short stacking energy: -59.536 Base-Backbone interact. energy: 2.202 local terms energy: -169.869028 where: bonds (distance) C4'-P energy: -60.472 bonds (distance) P-C4' energy: -49.067 flat angles C4'-P-C4' energy: -44.368 flat angles P-C4'-P energy: -35.889 tors. eta vs tors. theta energy: 19.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1112.829302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.829302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.829302 (E_RNA) where: Base-Base interactions energy: -771.727 where: short stacking energy: -299.458 Base-Backbone interact. energy: -2.178 local terms energy: -338.925110 where: bonds (distance) C4'-P energy: -65.424 bonds (distance) P-C4' energy: -61.743 flat angles C4'-P-C4' energy: -74.352 flat angles P-C4'-P energy: -50.782 tors. eta vs tors. theta energy: -86.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1091.043549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.043549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.043549 (E_RNA) where: Base-Base interactions energy: -752.293 where: short stacking energy: -316.844 Base-Backbone interact. energy: -0.404 local terms energy: -338.345865 where: bonds (distance) C4'-P energy: -64.806 bonds (distance) P-C4' energy: -60.629 flat angles C4'-P-C4' energy: -68.666 flat angles P-C4'-P energy: -46.042 tors. eta vs tors. theta energy: -98.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1044.374551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.374551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.374551 (E_RNA) where: Base-Base interactions energy: -705.221 where: short stacking energy: -293.721 Base-Backbone interact. energy: 0.500 local terms energy: -339.653864 where: bonds (distance) C4'-P energy: -68.929 bonds (distance) P-C4' energy: -62.818 flat angles C4'-P-C4' energy: -72.871 flat angles P-C4'-P energy: -51.285 tors. eta vs tors. theta energy: -83.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -950.839518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.839518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.839518 (E_RNA) where: Base-Base interactions energy: -634.820 where: short stacking energy: -260.423 Base-Backbone interact. energy: -2.416 local terms energy: -313.602687 where: bonds (distance) C4'-P energy: -62.880 bonds (distance) P-C4' energy: -58.964 flat angles C4'-P-C4' energy: -66.828 flat angles P-C4'-P energy: -46.858 tors. eta vs tors. theta energy: -78.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -953.272554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.272554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.272554 (E_RNA) where: Base-Base interactions energy: -655.716 where: short stacking energy: -270.228 Base-Backbone interact. energy: -0.147 local terms energy: -297.409348 where: bonds (distance) C4'-P energy: -61.258 bonds (distance) P-C4' energy: -56.983 flat angles C4'-P-C4' energy: -63.906 flat angles P-C4'-P energy: -40.454 tors. eta vs tors. theta energy: -74.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -793.453119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.453119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.453119 (E_RNA) where: Base-Base interactions energy: -535.044 where: short stacking energy: -248.885 Base-Backbone interact. energy: -1.475 local terms energy: -256.933555 where: bonds (distance) C4'-P energy: -53.069 bonds (distance) P-C4' energy: -53.635 flat angles C4'-P-C4' energy: -58.195 flat angles P-C4'-P energy: -33.759 tors. eta vs tors. theta energy: -58.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -655.510067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.510067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.510067 (E_RNA) where: Base-Base interactions energy: -397.276 where: short stacking energy: -192.507 Base-Backbone interact. energy: -1.243 local terms energy: -256.991438 where: bonds (distance) C4'-P energy: -62.030 bonds (distance) P-C4' energy: -64.698 flat angles C4'-P-C4' energy: -47.094 flat angles P-C4'-P energy: -35.148 tors. eta vs tors. theta energy: -48.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -523.546873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.546873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.546873 (E_RNA) where: Base-Base interactions energy: -280.223 where: short stacking energy: -169.092 Base-Backbone interact. energy: 1.457 local terms energy: -244.780809 where: bonds (distance) C4'-P energy: -54.198 bonds (distance) P-C4' energy: -56.222 flat angles C4'-P-C4' energy: -57.039 flat angles P-C4'-P energy: -41.578 tors. eta vs tors. theta energy: -35.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -334.877112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.877112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.877112 (E_RNA) where: Base-Base interactions energy: -156.817 where: short stacking energy: -106.975 Base-Backbone interact. energy: -1.826 local terms energy: -176.233792 where: bonds (distance) C4'-P energy: -57.612 bonds (distance) P-C4' energy: -43.981 flat angles C4'-P-C4' energy: -38.384 flat angles P-C4'-P energy: -32.334 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -282.387804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.387804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.387804 (E_RNA) where: Base-Base interactions energy: -96.332 where: short stacking energy: -65.844 Base-Backbone interact. energy: -2.735 local terms energy: -183.320971 where: bonds (distance) C4'-P energy: -57.858 bonds (distance) P-C4' energy: -65.128 flat angles C4'-P-C4' energy: -38.493 flat angles P-C4'-P energy: -33.852 tors. eta vs tors. theta energy: 12.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1115.235996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.235996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.235996 (E_RNA) where: Base-Base interactions energy: -784.093 where: short stacking energy: -327.622 Base-Backbone interact. energy: -2.454 local terms energy: -328.688928 where: bonds (distance) C4'-P energy: -60.585 bonds (distance) P-C4' energy: -55.596 flat angles C4'-P-C4' energy: -69.507 flat angles P-C4'-P energy: -49.496 tors. eta vs tors. theta energy: -93.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1081.064637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.064637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.064637 (E_RNA) where: Base-Base interactions energy: -748.030 where: short stacking energy: -306.804 Base-Backbone interact. energy: -1.869 local terms energy: -331.165601 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -60.702 flat angles C4'-P-C4' energy: -74.650 flat angles P-C4'-P energy: -42.843 tors. eta vs tors. theta energy: -93.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1071.717324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.717324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.717324 (E_RNA) where: Base-Base interactions energy: -750.641 where: short stacking energy: -320.969 Base-Backbone interact. energy: 1.925 local terms energy: -323.001188 where: bonds (distance) C4'-P energy: -52.799 bonds (distance) P-C4' energy: -67.702 flat angles C4'-P-C4' energy: -73.167 flat angles P-C4'-P energy: -36.543 tors. eta vs tors. theta energy: -92.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -957.386103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.386103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.386103 (E_RNA) where: Base-Base interactions energy: -663.423 where: short stacking energy: -283.377 Base-Backbone interact. energy: -1.352 local terms energy: -292.610310 where: bonds (distance) C4'-P energy: -61.576 bonds (distance) P-C4' energy: -53.803 flat angles C4'-P-C4' energy: -64.333 flat angles P-C4'-P energy: -29.585 tors. eta vs tors. theta energy: -83.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -986.820662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.820662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.820662 (E_RNA) where: Base-Base interactions energy: -655.692 where: short stacking energy: -280.246 Base-Backbone interact. energy: -2.945 local terms energy: -328.184294 where: bonds (distance) C4'-P energy: -55.944 bonds (distance) P-C4' energy: -66.156 flat angles C4'-P-C4' energy: -66.596 flat angles P-C4'-P energy: -52.211 tors. eta vs tors. theta energy: -87.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -826.314293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.314293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.314293 (E_RNA) where: Base-Base interactions energy: -543.291 where: short stacking energy: -255.333 Base-Backbone interact. energy: -1.035 local terms energy: -281.988311 where: bonds (distance) C4'-P energy: -51.340 bonds (distance) P-C4' energy: -64.395 flat angles C4'-P-C4' energy: -56.402 flat angles P-C4'-P energy: -40.723 tors. eta vs tors. theta energy: -69.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -701.305207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.305207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.305207 (E_RNA) where: Base-Base interactions energy: -438.725 where: short stacking energy: -186.764 Base-Backbone interact. energy: -0.553 local terms energy: -262.027257 where: bonds (distance) C4'-P energy: -53.852 bonds (distance) P-C4' energy: -53.064 flat angles C4'-P-C4' energy: -57.005 flat angles P-C4'-P energy: -45.587 tors. eta vs tors. theta energy: -52.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -537.569723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.569723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.569723 (E_RNA) where: Base-Base interactions energy: -318.357 where: short stacking energy: -150.179 Base-Backbone interact. energy: -1.369 local terms energy: -217.843306 where: bonds (distance) C4'-P energy: -47.053 bonds (distance) P-C4' energy: -58.177 flat angles C4'-P-C4' energy: -54.180 flat angles P-C4'-P energy: -36.521 tors. eta vs tors. theta energy: -21.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -314.601869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.601869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.601869 (E_RNA) where: Base-Base interactions energy: -128.226 where: short stacking energy: -90.677 Base-Backbone interact. energy: 1.242 local terms energy: -187.617752 where: bonds (distance) C4'-P energy: -50.993 bonds (distance) P-C4' energy: -65.131 flat angles C4'-P-C4' energy: -44.810 flat angles P-C4'-P energy: -38.970 tors. eta vs tors. theta energy: 12.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -290.734802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.734802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.734802 (E_RNA) where: Base-Base interactions energy: -120.335 where: short stacking energy: -76.762 Base-Backbone interact. energy: 0.481 local terms energy: -170.881479 where: bonds (distance) C4'-P energy: -55.688 bonds (distance) P-C4' energy: -52.969 flat angles C4'-P-C4' energy: -50.341 flat angles P-C4'-P energy: -20.630 tors. eta vs tors. theta energy: 8.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1120.309266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.309266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.309266 (E_RNA) where: Base-Base interactions energy: -759.842 where: short stacking energy: -330.874 Base-Backbone interact. energy: -2.061 local terms energy: -358.407115 where: bonds (distance) C4'-P energy: -64.108 bonds (distance) P-C4' energy: -73.593 flat angles C4'-P-C4' energy: -73.214 flat angles P-C4'-P energy: -52.145 tors. eta vs tors. theta energy: -95.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1077.528705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.528705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.528705 (E_RNA) where: Base-Base interactions energy: -725.872 where: short stacking energy: -311.852 Base-Backbone interact. energy: -1.038 local terms energy: -350.618875 where: bonds (distance) C4'-P energy: -69.955 bonds (distance) P-C4' energy: -69.102 flat angles C4'-P-C4' energy: -69.063 flat angles P-C4'-P energy: -49.042 tors. eta vs tors. theta energy: -93.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1061.870345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.870345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.870345 (E_RNA) where: Base-Base interactions energy: -730.320 where: short stacking energy: -310.874 Base-Backbone interact. energy: -1.721 local terms energy: -329.829289 where: bonds (distance) C4'-P energy: -65.927 bonds (distance) P-C4' energy: -59.067 flat angles C4'-P-C4' energy: -59.970 flat angles P-C4'-P energy: -46.075 tors. eta vs tors. theta energy: -98.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -953.508297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.508297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.508297 (E_RNA) where: Base-Base interactions energy: -649.273 where: short stacking energy: -279.831 Base-Backbone interact. energy: 0.057 local terms energy: -304.292437 where: bonds (distance) C4'-P energy: -59.032 bonds (distance) P-C4' energy: -56.776 flat angles C4'-P-C4' energy: -66.031 flat angles P-C4'-P energy: -39.954 tors. eta vs tors. theta energy: -82.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -942.525190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.525190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.525190 (E_RNA) where: Base-Base interactions energy: -644.201 where: short stacking energy: -277.357 Base-Backbone interact. energy: -1.096 local terms energy: -297.227945 where: bonds (distance) C4'-P energy: -65.013 bonds (distance) P-C4' energy: -56.549 flat angles C4'-P-C4' energy: -54.487 flat angles P-C4'-P energy: -37.589 tors. eta vs tors. theta energy: -83.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -795.918174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.918174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.918174 (E_RNA) where: Base-Base interactions energy: -522.352 where: short stacking energy: -232.291 Base-Backbone interact. energy: -1.957 local terms energy: -271.608640 where: bonds (distance) C4'-P energy: -53.869 bonds (distance) P-C4' energy: -51.703 flat angles C4'-P-C4' energy: -67.103 flat angles P-C4'-P energy: -36.343 tors. eta vs tors. theta energy: -62.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -680.242717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.242717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.242717 (E_RNA) where: Base-Base interactions energy: -434.492 where: short stacking energy: -207.515 Base-Backbone interact. energy: -0.346 local terms energy: -245.404398 where: bonds (distance) C4'-P energy: -52.888 bonds (distance) P-C4' energy: -56.261 flat angles C4'-P-C4' energy: -59.853 flat angles P-C4'-P energy: -32.424 tors. eta vs tors. theta energy: -43.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -518.562893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.562893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.562893 (E_RNA) where: Base-Base interactions energy: -312.505 where: short stacking energy: -140.400 Base-Backbone interact. energy: -1.724 local terms energy: -204.333502 where: bonds (distance) C4'-P energy: -39.089 bonds (distance) P-C4' energy: -58.992 flat angles C4'-P-C4' energy: -47.273 flat angles P-C4'-P energy: -34.390 tors. eta vs tors. theta energy: -24.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -349.778349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.778349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.778349 (E_RNA) where: Base-Base interactions energy: -167.561 where: short stacking energy: -115.599 Base-Backbone interact. energy: 4.324 local terms energy: -186.540881 where: bonds (distance) C4'-P energy: -56.709 bonds (distance) P-C4' energy: -58.229 flat angles C4'-P-C4' energy: -49.464 flat angles P-C4'-P energy: -17.286 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -295.977056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.977056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.977056 (E_RNA) where: Base-Base interactions energy: -111.796 where: short stacking energy: -69.670 Base-Backbone interact. energy: 0.526 local terms energy: -184.707139 where: bonds (distance) C4'-P energy: -47.327 bonds (distance) P-C4' energy: -61.026 flat angles C4'-P-C4' energy: -47.148 flat angles P-C4'-P energy: -31.319 tors. eta vs tors. theta energy: 2.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1141.539831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.539831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.539831 (E_RNA) where: Base-Base interactions energy: -803.920 where: short stacking energy: -324.378 Base-Backbone interact. energy: -2.087 local terms energy: -335.533198 where: bonds (distance) C4'-P energy: -65.041 bonds (distance) P-C4' energy: -64.259 flat angles C4'-P-C4' energy: -69.304 flat angles P-C4'-P energy: -40.961 tors. eta vs tors. theta energy: -95.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1084.273751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.273751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.273751 (E_RNA) where: Base-Base interactions energy: -755.472 where: short stacking energy: -317.785 Base-Backbone interact. energy: -0.214 local terms energy: -328.587800 where: bonds (distance) C4'-P energy: -62.140 bonds (distance) P-C4' energy: -59.311 flat angles C4'-P-C4' energy: -58.090 flat angles P-C4'-P energy: -52.955 tors. eta vs tors. theta energy: -96.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1040.693825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.693825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.693825 (E_RNA) where: Base-Base interactions energy: -709.737 where: short stacking energy: -319.707 Base-Backbone interact. energy: 1.131 local terms energy: -332.087270 where: bonds (distance) C4'-P energy: -62.626 bonds (distance) P-C4' energy: -64.133 flat angles C4'-P-C4' energy: -66.801 flat angles P-C4'-P energy: -41.571 tors. eta vs tors. theta energy: -96.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -942.459309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.459309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.459309 (E_RNA) where: Base-Base interactions energy: -642.985 where: short stacking energy: -269.877 Base-Backbone interact. energy: 4.668 local terms energy: -304.142159 where: bonds (distance) C4'-P energy: -45.740 bonds (distance) P-C4' energy: -57.982 flat angles C4'-P-C4' energy: -63.375 flat angles P-C4'-P energy: -52.684 tors. eta vs tors. theta energy: -84.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -922.831750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.831750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.831750 (E_RNA) where: Base-Base interactions energy: -620.959 where: short stacking energy: -274.231 Base-Backbone interact. energy: 1.269 local terms energy: -303.141348 where: bonds (distance) C4'-P energy: -59.073 bonds (distance) P-C4' energy: -56.572 flat angles C4'-P-C4' energy: -67.211 flat angles P-C4'-P energy: -35.242 tors. eta vs tors. theta energy: -85.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -795.479833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.479833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.479833 (E_RNA) where: Base-Base interactions energy: -519.784 where: short stacking energy: -237.313 Base-Backbone interact. energy: 0.241 local terms energy: -275.936787 where: bonds (distance) C4'-P energy: -56.617 bonds (distance) P-C4' energy: -58.730 flat angles C4'-P-C4' energy: -61.092 flat angles P-C4'-P energy: -40.211 tors. eta vs tors. theta energy: -59.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -712.797212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.797212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.797212 (E_RNA) where: Base-Base interactions energy: -442.711 where: short stacking energy: -203.966 Base-Backbone interact. energy: -0.859 local terms energy: -269.227428 where: bonds (distance) C4'-P energy: -54.571 bonds (distance) P-C4' energy: -56.544 flat angles C4'-P-C4' energy: -60.574 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: -51.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -522.578520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.578520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.578520 (E_RNA) where: Base-Base interactions energy: -317.466 where: short stacking energy: -152.471 Base-Backbone interact. energy: -0.232 local terms energy: -204.881165 where: bonds (distance) C4'-P energy: -47.835 bonds (distance) P-C4' energy: -63.212 flat angles C4'-P-C4' energy: -47.579 flat angles P-C4'-P energy: -27.099 tors. eta vs tors. theta energy: -19.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -285.790052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.790052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.790052 (E_RNA) where: Base-Base interactions energy: -107.543 where: short stacking energy: -85.198 Base-Backbone interact. energy: -0.481 local terms energy: -177.766105 where: bonds (distance) C4'-P energy: -54.862 bonds (distance) P-C4' energy: -52.921 flat angles C4'-P-C4' energy: -37.941 flat angles P-C4'-P energy: -29.214 tors. eta vs tors. theta energy: -2.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -270.362332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.362332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.362332 (E_RNA) where: Base-Base interactions energy: -104.214 where: short stacking energy: -91.450 Base-Backbone interact. energy: -1.406 local terms energy: -164.742540 where: bonds (distance) C4'-P energy: -51.238 bonds (distance) P-C4' energy: -48.843 flat angles C4'-P-C4' energy: -42.936 flat angles P-C4'-P energy: -22.817 tors. eta vs tors. theta energy: 1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1124.087613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.087613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.087613 (E_RNA) where: Base-Base interactions energy: -781.841 where: short stacking energy: -329.273 Base-Backbone interact. energy: -0.652 local terms energy: -341.594740 where: bonds (distance) C4'-P energy: -63.792 bonds (distance) P-C4' energy: -56.950 flat angles C4'-P-C4' energy: -72.249 flat angles P-C4'-P energy: -52.104 tors. eta vs tors. theta energy: -96.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1099.622781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.622781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.622781 (E_RNA) where: Base-Base interactions energy: -783.901 where: short stacking energy: -318.967 Base-Backbone interact. energy: -1.467 local terms energy: -314.254644 where: bonds (distance) C4'-P energy: -52.095 bonds (distance) P-C4' energy: -59.835 flat angles C4'-P-C4' energy: -76.956 flat angles P-C4'-P energy: -35.794 tors. eta vs tors. theta energy: -89.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1032.537403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.537403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.537403 (E_RNA) where: Base-Base interactions energy: -682.245 where: short stacking energy: -303.332 Base-Backbone interact. energy: 1.382 local terms energy: -351.673562 where: bonds (distance) C4'-P energy: -66.440 bonds (distance) P-C4' energy: -71.546 flat angles C4'-P-C4' energy: -77.175 flat angles P-C4'-P energy: -43.099 tors. eta vs tors. theta energy: -93.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -963.674789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.674789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.674789 (E_RNA) where: Base-Base interactions energy: -641.090 where: short stacking energy: -293.317 Base-Backbone interact. energy: -0.782 local terms energy: -321.803380 where: bonds (distance) C4'-P energy: -65.483 bonds (distance) P-C4' energy: -58.319 flat angles C4'-P-C4' energy: -68.221 flat angles P-C4'-P energy: -41.814 tors. eta vs tors. theta energy: -87.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -919.978644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.978644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.978644 (E_RNA) where: Base-Base interactions energy: -618.041 where: short stacking energy: -253.963 Base-Backbone interact. energy: 1.759 local terms energy: -303.696294 where: bonds (distance) C4'-P energy: -64.684 bonds (distance) P-C4' energy: -63.222 flat angles C4'-P-C4' energy: -58.899 flat angles P-C4'-P energy: -39.665 tors. eta vs tors. theta energy: -77.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -806.955592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.955592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.955592 (E_RNA) where: Base-Base interactions energy: -544.384 where: short stacking energy: -236.275 Base-Backbone interact. energy: -0.630 local terms energy: -261.941367 where: bonds (distance) C4'-P energy: -47.510 bonds (distance) P-C4' energy: -53.493 flat angles C4'-P-C4' energy: -55.595 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -62.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -671.986711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.986711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.986711 (E_RNA) where: Base-Base interactions energy: -412.404 where: short stacking energy: -197.073 Base-Backbone interact. energy: -1.947 local terms energy: -257.635125 where: bonds (distance) C4'-P energy: -59.431 bonds (distance) P-C4' energy: -63.076 flat angles C4'-P-C4' energy: -57.154 flat angles P-C4'-P energy: -38.084 tors. eta vs tors. theta energy: -39.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -536.303242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.303242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.303242 (E_RNA) where: Base-Base interactions energy: -300.890 where: short stacking energy: -164.616 Base-Backbone interact. energy: -1.117 local terms energy: -234.296043 where: bonds (distance) C4'-P energy: -46.683 bonds (distance) P-C4' energy: -64.180 flat angles C4'-P-C4' energy: -51.222 flat angles P-C4'-P energy: -34.467 tors. eta vs tors. theta energy: -37.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -339.788835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.788835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.788835 (E_RNA) where: Base-Base interactions energy: -156.886 where: short stacking energy: -102.811 Base-Backbone interact. energy: 0.166 local terms energy: -183.068395 where: bonds (distance) C4'-P energy: -49.411 bonds (distance) P-C4' energy: -51.946 flat angles C4'-P-C4' energy: -47.109 flat angles P-C4'-P energy: -35.996 tors. eta vs tors. theta energy: 1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -338.288748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.288748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.288748 (E_RNA) where: Base-Base interactions energy: -140.717 where: short stacking energy: -70.074 Base-Backbone interact. energy: -1.555 local terms energy: -196.016793 where: bonds (distance) C4'-P energy: -54.981 bonds (distance) P-C4' energy: -47.546 flat angles C4'-P-C4' energy: -61.173 flat angles P-C4'-P energy: -37.701 tors. eta vs tors. theta energy: 5.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1130.905188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.905188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.905188 (E_RNA) where: Base-Base interactions energy: -779.279 where: short stacking energy: -348.705 Base-Backbone interact. energy: -1.103 local terms energy: -350.523024 where: bonds (distance) C4'-P energy: -61.175 bonds (distance) P-C4' energy: -67.098 flat angles C4'-P-C4' energy: -68.094 flat angles P-C4'-P energy: -52.829 tors. eta vs tors. theta energy: -101.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1110.107805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.107805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.107805 (E_RNA) where: Base-Base interactions energy: -773.469 where: short stacking energy: -308.879 Base-Backbone interact. energy: -0.715 local terms energy: -335.924370 where: bonds (distance) C4'-P energy: -73.112 bonds (distance) P-C4' energy: -62.588 flat angles C4'-P-C4' energy: -61.268 flat angles P-C4'-P energy: -51.879 tors. eta vs tors. theta energy: -87.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1037.538794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.538794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.538794 (E_RNA) where: Base-Base interactions energy: -720.396 where: short stacking energy: -287.899 Base-Backbone interact. energy: -0.752 local terms energy: -316.390797 where: bonds (distance) C4'-P energy: -53.907 bonds (distance) P-C4' energy: -62.768 flat angles C4'-P-C4' energy: -70.857 flat angles P-C4'-P energy: -53.112 tors. eta vs tors. theta energy: -75.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -941.774715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.774715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.774715 (E_RNA) where: Base-Base interactions energy: -629.063 where: short stacking energy: -260.860 Base-Backbone interact. energy: 3.443 local terms energy: -316.154456 where: bonds (distance) C4'-P energy: -59.614 bonds (distance) P-C4' energy: -65.745 flat angles C4'-P-C4' energy: -67.778 flat angles P-C4'-P energy: -47.548 tors. eta vs tors. theta energy: -75.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -944.850772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.850772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.850772 (E_RNA) where: Base-Base interactions energy: -633.965 where: short stacking energy: -269.607 Base-Backbone interact. energy: -1.783 local terms energy: -309.103312 where: bonds (distance) C4'-P energy: -56.411 bonds (distance) P-C4' energy: -60.291 flat angles C4'-P-C4' energy: -72.204 flat angles P-C4'-P energy: -39.727 tors. eta vs tors. theta energy: -80.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -824.043514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.043514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.043514 (E_RNA) where: Base-Base interactions energy: -536.947 where: short stacking energy: -259.510 Base-Backbone interact. energy: -0.481 local terms energy: -286.615592 where: bonds (distance) C4'-P energy: -51.396 bonds (distance) P-C4' energy: -62.252 flat angles C4'-P-C4' energy: -62.878 flat angles P-C4'-P energy: -35.450 tors. eta vs tors. theta energy: -74.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -690.465403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.465403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.465403 (E_RNA) where: Base-Base interactions energy: -439.564 where: short stacking energy: -194.566 Base-Backbone interact. energy: -0.170 local terms energy: -250.731182 where: bonds (distance) C4'-P energy: -55.713 bonds (distance) P-C4' energy: -54.893 flat angles C4'-P-C4' energy: -57.167 flat angles P-C4'-P energy: -39.898 tors. eta vs tors. theta energy: -43.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -556.167094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.167094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.167094 (E_RNA) where: Base-Base interactions energy: -328.876 where: short stacking energy: -159.166 Base-Backbone interact. energy: -1.261 local terms energy: -226.030773 where: bonds (distance) C4'-P energy: -56.882 bonds (distance) P-C4' energy: -62.096 flat angles C4'-P-C4' energy: -52.292 flat angles P-C4'-P energy: -20.804 tors. eta vs tors. theta energy: -33.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -310.117198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.117198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.117198 (E_RNA) where: Base-Base interactions energy: -133.120 where: short stacking energy: -108.216 Base-Backbone interact. energy: -2.008 local terms energy: -174.989242 where: bonds (distance) C4'-P energy: -46.860 bonds (distance) P-C4' energy: -58.190 flat angles C4'-P-C4' energy: -43.610 flat angles P-C4'-P energy: -20.175 tors. eta vs tors. theta energy: -6.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -331.263300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.263300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.263300 (E_RNA) where: Base-Base interactions energy: -138.243 where: short stacking energy: -77.047 Base-Backbone interact. energy: -0.954 local terms energy: -192.065791 where: bonds (distance) C4'-P energy: -47.825 bonds (distance) P-C4' energy: -52.318 flat angles C4'-P-C4' energy: -53.511 flat angles P-C4'-P energy: -28.500 tors. eta vs tors. theta energy: -9.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1118.884649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.884649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.884649 (E_RNA) where: Base-Base interactions energy: -774.105 where: short stacking energy: -325.148 Base-Backbone interact. energy: -0.742 local terms energy: -344.037324 where: bonds (distance) C4'-P energy: -66.127 bonds (distance) P-C4' energy: -65.147 flat angles C4'-P-C4' energy: -68.057 flat angles P-C4'-P energy: -50.176 tors. eta vs tors. theta energy: -94.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1100.120979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.120979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.120979 (E_RNA) where: Base-Base interactions energy: -771.120 where: short stacking energy: -320.755 Base-Backbone interact. energy: -3.001 local terms energy: -326.000586 where: bonds (distance) C4'-P energy: -66.319 bonds (distance) P-C4' energy: -54.270 flat angles C4'-P-C4' energy: -64.870 flat angles P-C4'-P energy: -50.809 tors. eta vs tors. theta energy: -89.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1036.195326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.195326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.195326 (E_RNA) where: Base-Base interactions energy: -714.599 where: short stacking energy: -288.407 Base-Backbone interact. energy: -1.998 local terms energy: -319.597491 where: bonds (distance) C4'-P energy: -58.450 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -73.781 flat angles P-C4'-P energy: -41.143 tors. eta vs tors. theta energy: -85.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -987.063107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.063107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.063107 (E_RNA) where: Base-Base interactions energy: -663.069 where: short stacking energy: -286.787 Base-Backbone interact. energy: -3.087 local terms energy: -320.906871 where: bonds (distance) C4'-P energy: -64.100 bonds (distance) P-C4' energy: -60.834 flat angles C4'-P-C4' energy: -64.426 flat angles P-C4'-P energy: -48.223 tors. eta vs tors. theta energy: -83.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -952.861153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.861153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.861153 (E_RNA) where: Base-Base interactions energy: -661.455 where: short stacking energy: -284.026 Base-Backbone interact. energy: -0.627 local terms energy: -290.778771 where: bonds (distance) C4'-P energy: -61.345 bonds (distance) P-C4' energy: -40.182 flat angles C4'-P-C4' energy: -66.456 flat angles P-C4'-P energy: -35.320 tors. eta vs tors. theta energy: -87.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -788.586557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.586557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.586557 (E_RNA) where: Base-Base interactions energy: -503.949 where: short stacking energy: -223.779 Base-Backbone interact. energy: -0.450 local terms energy: -284.187887 where: bonds (distance) C4'-P energy: -58.081 bonds (distance) P-C4' energy: -64.106 flat angles C4'-P-C4' energy: -62.798 flat angles P-C4'-P energy: -37.700 tors. eta vs tors. theta energy: -61.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -751.453366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.453366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.453366 (E_RNA) where: Base-Base interactions energy: -467.408 where: short stacking energy: -243.000 Base-Backbone interact. energy: -0.527 local terms energy: -283.518230 where: bonds (distance) C4'-P energy: -47.702 bonds (distance) P-C4' energy: -57.215 flat angles C4'-P-C4' energy: -65.350 flat angles P-C4'-P energy: -37.287 tors. eta vs tors. theta energy: -75.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -538.517440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.517440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.517440 (E_RNA) where: Base-Base interactions energy: -319.859 where: short stacking energy: -172.933 Base-Backbone interact. energy: 0.155 local terms energy: -218.813820 where: bonds (distance) C4'-P energy: -44.584 bonds (distance) P-C4' energy: -53.551 flat angles C4'-P-C4' energy: -66.861 flat angles P-C4'-P energy: -25.504 tors. eta vs tors. theta energy: -28.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -350.499558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.499558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.499558 (E_RNA) where: Base-Base interactions energy: -156.551 where: short stacking energy: -103.216 Base-Backbone interact. energy: -0.866 local terms energy: -193.081991 where: bonds (distance) C4'-P energy: -59.135 bonds (distance) P-C4' energy: -60.628 flat angles C4'-P-C4' energy: -43.198 flat angles P-C4'-P energy: -25.532 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -273.002764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.002764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.002764 (E_RNA) where: Base-Base interactions energy: -110.100 where: short stacking energy: -90.840 Base-Backbone interact. energy: -0.400 local terms energy: -162.502308 where: bonds (distance) C4'-P energy: -46.671 bonds (distance) P-C4' energy: -48.542 flat angles C4'-P-C4' energy: -51.094 flat angles P-C4'-P energy: -32.416 tors. eta vs tors. theta energy: 16.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1138.250598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.250598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.250598 (E_RNA) where: Base-Base interactions energy: -807.768 where: short stacking energy: -327.463 Base-Backbone interact. energy: -2.344 local terms energy: -328.138269 where: bonds (distance) C4'-P energy: -58.541 bonds (distance) P-C4' energy: -66.466 flat angles C4'-P-C4' energy: -66.732 flat angles P-C4'-P energy: -49.736 tors. eta vs tors. theta energy: -86.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1117.802919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.802919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.802919 (E_RNA) where: Base-Base interactions energy: -785.713 where: short stacking energy: -342.153 Base-Backbone interact. energy: 2.252 local terms energy: -334.342347 where: bonds (distance) C4'-P energy: -56.658 bonds (distance) P-C4' energy: -52.258 flat angles C4'-P-C4' energy: -73.262 flat angles P-C4'-P energy: -48.517 tors. eta vs tors. theta energy: -103.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1028.590263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.590263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.590263 (E_RNA) where: Base-Base interactions energy: -733.562 where: short stacking energy: -294.307 Base-Backbone interact. energy: 2.138 local terms energy: -297.165976 where: bonds (distance) C4'-P energy: -52.116 bonds (distance) P-C4' energy: -57.487 flat angles C4'-P-C4' energy: -59.992 flat angles P-C4'-P energy: -42.029 tors. eta vs tors. theta energy: -85.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -957.241392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.241392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.241392 (E_RNA) where: Base-Base interactions energy: -630.822 where: short stacking energy: -294.815 Base-Backbone interact. energy: -1.621 local terms energy: -324.797823 where: bonds (distance) C4'-P energy: -59.243 bonds (distance) P-C4' energy: -65.227 flat angles C4'-P-C4' energy: -70.413 flat angles P-C4'-P energy: -45.378 tors. eta vs tors. theta energy: -84.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -909.561767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.561767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.561767 (E_RNA) where: Base-Base interactions energy: -638.895 where: short stacking energy: -248.707 Base-Backbone interact. energy: 0.679 local terms energy: -271.346314 where: bonds (distance) C4'-P energy: -52.531 bonds (distance) P-C4' energy: -51.806 flat angles C4'-P-C4' energy: -61.574 flat angles P-C4'-P energy: -40.860 tors. eta vs tors. theta energy: -64.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -780.145552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.145552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.145552 (E_RNA) where: Base-Base interactions energy: -509.083 where: short stacking energy: -248.511 Base-Backbone interact. energy: 1.128 local terms energy: -272.191136 where: bonds (distance) C4'-P energy: -59.559 bonds (distance) P-C4' energy: -61.062 flat angles C4'-P-C4' energy: -50.708 flat angles P-C4'-P energy: -37.181 tors. eta vs tors. theta energy: -63.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -792.410461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.410461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.410461 (E_RNA) where: Base-Base interactions energy: -517.291 where: short stacking energy: -245.025 Base-Backbone interact. energy: 1.120 local terms energy: -276.239691 where: bonds (distance) C4'-P energy: -60.980 bonds (distance) P-C4' energy: -56.944 flat angles C4'-P-C4' energy: -60.122 flat angles P-C4'-P energy: -33.437 tors. eta vs tors. theta energy: -64.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -559.176901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.176901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.176901 (E_RNA) where: Base-Base interactions energy: -310.619 where: short stacking energy: -158.611 Base-Backbone interact. energy: -0.206 local terms energy: -248.351584 where: bonds (distance) C4'-P energy: -55.211 bonds (distance) P-C4' energy: -66.937 flat angles C4'-P-C4' energy: -54.231 flat angles P-C4'-P energy: -38.076 tors. eta vs tors. theta energy: -33.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -317.818715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.818715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.818715 (E_RNA) where: Base-Base interactions energy: -149.611 where: short stacking energy: -77.468 Base-Backbone interact. energy: -2.224 local terms energy: -165.983347 where: bonds (distance) C4'-P energy: -52.120 bonds (distance) P-C4' energy: -59.041 flat angles C4'-P-C4' energy: -40.666 flat angles P-C4'-P energy: -21.534 tors. eta vs tors. theta energy: 7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -324.823397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.823397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.823397 (E_RNA) where: Base-Base interactions energy: -156.846 where: short stacking energy: -103.809 Base-Backbone interact. energy: -0.676 local terms energy: -167.301441 where: bonds (distance) C4'-P energy: -45.998 bonds (distance) P-C4' energy: -49.334 flat angles C4'-P-C4' energy: -44.496 flat angles P-C4'-P energy: -20.447 tors. eta vs tors. theta energy: -7.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1116.000090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.000090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.000090 (E_RNA) where: Base-Base interactions energy: -771.668 where: short stacking energy: -338.727 Base-Backbone interact. energy: 3.327 local terms energy: -347.658962 where: bonds (distance) C4'-P energy: -57.406 bonds (distance) P-C4' energy: -65.664 flat angles C4'-P-C4' energy: -70.120 flat angles P-C4'-P energy: -46.669 tors. eta vs tors. theta energy: -107.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1112.161364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.161364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.161364 (E_RNA) where: Base-Base interactions energy: -785.395 where: short stacking energy: -316.309 Base-Backbone interact. energy: -4.582 local terms energy: -322.184356 where: bonds (distance) C4'-P energy: -66.211 bonds (distance) P-C4' energy: -53.577 flat angles C4'-P-C4' energy: -66.362 flat angles P-C4'-P energy: -45.802 tors. eta vs tors. theta energy: -90.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1057.051348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.051348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.051348 (E_RNA) where: Base-Base interactions energy: -720.712 where: short stacking energy: -305.474 Base-Backbone interact. energy: -2.341 local terms energy: -333.997890 where: bonds (distance) C4'-P energy: -63.947 bonds (distance) P-C4' energy: -68.186 flat angles C4'-P-C4' energy: -70.270 flat angles P-C4'-P energy: -37.246 tors. eta vs tors. theta energy: -94.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -968.273828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.273828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.273828 (E_RNA) where: Base-Base interactions energy: -660.747 where: short stacking energy: -272.771 Base-Backbone interact. energy: 1.283 local terms energy: -308.810455 where: bonds (distance) C4'-P energy: -52.708 bonds (distance) P-C4' energy: -66.882 flat angles C4'-P-C4' energy: -61.686 flat angles P-C4'-P energy: -46.698 tors. eta vs tors. theta energy: -80.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -931.483269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.483269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.483269 (E_RNA) where: Base-Base interactions energy: -607.562 where: short stacking energy: -254.051 Base-Backbone interact. energy: 2.026 local terms energy: -325.947011 where: bonds (distance) C4'-P energy: -67.194 bonds (distance) P-C4' energy: -65.841 flat angles C4'-P-C4' energy: -70.822 flat angles P-C4'-P energy: -42.142 tors. eta vs tors. theta energy: -79.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -799.743877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.743877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.743877 (E_RNA) where: Base-Base interactions energy: -511.989 where: short stacking energy: -236.808 Base-Backbone interact. energy: -0.062 local terms energy: -287.692578 where: bonds (distance) C4'-P energy: -59.829 bonds (distance) P-C4' energy: -63.630 flat angles C4'-P-C4' energy: -61.904 flat angles P-C4'-P energy: -35.522 tors. eta vs tors. theta energy: -66.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -757.074486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.074486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.074486 (E_RNA) where: Base-Base interactions energy: -475.091 where: short stacking energy: -230.245 Base-Backbone interact. energy: -0.981 local terms energy: -281.002147 where: bonds (distance) C4'-P energy: -54.230 bonds (distance) P-C4' energy: -63.286 flat angles C4'-P-C4' energy: -54.925 flat angles P-C4'-P energy: -38.758 tors. eta vs tors. theta energy: -69.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -550.266480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.266480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.266480 (E_RNA) where: Base-Base interactions energy: -313.283 where: short stacking energy: -163.730 Base-Backbone interact. energy: -0.561 local terms energy: -236.422824 where: bonds (distance) C4'-P energy: -59.457 bonds (distance) P-C4' energy: -56.008 flat angles C4'-P-C4' energy: -48.515 flat angles P-C4'-P energy: -34.457 tors. eta vs tors. theta energy: -37.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -349.777086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.777086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.777086 (E_RNA) where: Base-Base interactions energy: -143.732 where: short stacking energy: -92.350 Base-Backbone interact. energy: -1.696 local terms energy: -204.348963 where: bonds (distance) C4'-P energy: -58.558 bonds (distance) P-C4' energy: -52.630 flat angles C4'-P-C4' energy: -55.852 flat angles P-C4'-P energy: -29.537 tors. eta vs tors. theta energy: -7.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -289.192987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.192987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.192987 (E_RNA) where: Base-Base interactions energy: -95.134 where: short stacking energy: -89.850 Base-Backbone interact. energy: 1.453 local terms energy: -195.511660 where: bonds (distance) C4'-P energy: -52.097 bonds (distance) P-C4' energy: -57.693 flat angles C4'-P-C4' energy: -58.524 flat angles P-C4'-P energy: -24.054 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1123.929852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.929852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.929852 (E_RNA) where: Base-Base interactions energy: -772.780 where: short stacking energy: -329.707 Base-Backbone interact. energy: 3.574 local terms energy: -354.723979 where: bonds (distance) C4'-P energy: -68.814 bonds (distance) P-C4' energy: -69.286 flat angles C4'-P-C4' energy: -70.137 flat angles P-C4'-P energy: -49.639 tors. eta vs tors. theta energy: -96.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1113.384064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.384064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.384064 (E_RNA) where: Base-Base interactions energy: -775.248 where: short stacking energy: -312.953 Base-Backbone interact. energy: -0.616 local terms energy: -337.520252 where: bonds (distance) C4'-P energy: -66.977 bonds (distance) P-C4' energy: -59.268 flat angles C4'-P-C4' energy: -64.339 flat angles P-C4'-P energy: -49.992 tors. eta vs tors. theta energy: -96.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1047.977815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.977815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.977815 (E_RNA) where: Base-Base interactions energy: -730.581 where: short stacking energy: -279.745 Base-Backbone interact. energy: 1.678 local terms energy: -319.075473 where: bonds (distance) C4'-P energy: -54.533 bonds (distance) P-C4' energy: -61.323 flat angles C4'-P-C4' energy: -63.449 flat angles P-C4'-P energy: -52.458 tors. eta vs tors. theta energy: -87.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -947.376991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.376991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.376991 (E_RNA) where: Base-Base interactions energy: -628.628 where: short stacking energy: -278.259 Base-Backbone interact. energy: -2.887 local terms energy: -315.862014 where: bonds (distance) C4'-P energy: -58.951 bonds (distance) P-C4' energy: -59.366 flat angles C4'-P-C4' energy: -68.172 flat angles P-C4'-P energy: -40.469 tors. eta vs tors. theta energy: -88.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -930.253633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.253633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.253633 (E_RNA) where: Base-Base interactions energy: -620.854 where: short stacking energy: -266.535 Base-Backbone interact. energy: -0.549 local terms energy: -308.849739 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -63.528 flat angles C4'-P-C4' energy: -66.569 flat angles P-C4'-P energy: -39.752 tors. eta vs tors. theta energy: -77.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -803.475776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.475776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.475776 (E_RNA) where: Base-Base interactions energy: -511.105 where: short stacking energy: -250.532 Base-Backbone interact. energy: 5.854 local terms energy: -298.224604 where: bonds (distance) C4'-P energy: -59.199 bonds (distance) P-C4' energy: -53.432 flat angles C4'-P-C4' energy: -66.833 flat angles P-C4'-P energy: -46.660 tors. eta vs tors. theta energy: -72.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -766.871477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.871477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.871477 (E_RNA) where: Base-Base interactions energy: -501.644 where: short stacking energy: -226.583 Base-Backbone interact. energy: 0.476 local terms energy: -265.702781 where: bonds (distance) C4'-P energy: -49.541 bonds (distance) P-C4' energy: -60.636 flat angles C4'-P-C4' energy: -66.124 flat angles P-C4'-P energy: -26.569 tors. eta vs tors. theta energy: -62.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -514.569458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.569458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.569458 (E_RNA) where: Base-Base interactions energy: -290.671 where: short stacking energy: -145.447 Base-Backbone interact. energy: -0.935 local terms energy: -222.963850 where: bonds (distance) C4'-P energy: -59.829 bonds (distance) P-C4' energy: -49.663 flat angles C4'-P-C4' energy: -55.869 flat angles P-C4'-P energy: -30.628 tors. eta vs tors. theta energy: -26.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -303.011324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.011324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.011324 (E_RNA) where: Base-Base interactions energy: -128.566 where: short stacking energy: -89.015 Base-Backbone interact. energy: 0.096 local terms energy: -174.540885 where: bonds (distance) C4'-P energy: -60.681 bonds (distance) P-C4' energy: -50.219 flat angles C4'-P-C4' energy: -36.069 flat angles P-C4'-P energy: -29.349 tors. eta vs tors. theta energy: 1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -275.642541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.642541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.642541 (E_RNA) where: Base-Base interactions energy: -97.099 where: short stacking energy: -81.509 Base-Backbone interact. energy: -1.398 local terms energy: -177.145166 where: bonds (distance) C4'-P energy: -52.814 bonds (distance) P-C4' energy: -59.358 flat angles C4'-P-C4' energy: -46.026 flat angles P-C4'-P energy: -18.905 tors. eta vs tors. theta energy: -0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1127.461330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.461330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.461330 (E_RNA) where: Base-Base interactions energy: -785.169 where: short stacking energy: -335.749 Base-Backbone interact. energy: 5.346 local terms energy: -347.638454 where: bonds (distance) C4'-P energy: -66.496 bonds (distance) P-C4' energy: -62.551 flat angles C4'-P-C4' energy: -70.960 flat angles P-C4'-P energy: -47.385 tors. eta vs tors. theta energy: -100.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1099.486839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.486839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.486839 (E_RNA) where: Base-Base interactions energy: -744.308 where: short stacking energy: -313.741 Base-Backbone interact. energy: -0.451 local terms energy: -354.727635 where: bonds (distance) C4'-P energy: -68.855 bonds (distance) P-C4' energy: -67.911 flat angles C4'-P-C4' energy: -72.617 flat angles P-C4'-P energy: -52.043 tors. eta vs tors. theta energy: -93.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1043.637379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.637379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.637379 (E_RNA) where: Base-Base interactions energy: -715.658 where: short stacking energy: -306.084 Base-Backbone interact. energy: -0.425 local terms energy: -327.554553 where: bonds (distance) C4'-P energy: -58.239 bonds (distance) P-C4' energy: -64.470 flat angles C4'-P-C4' energy: -69.867 flat angles P-C4'-P energy: -42.455 tors. eta vs tors. theta energy: -92.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -956.652005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.652005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.652005 (E_RNA) where: Base-Base interactions energy: -629.193 where: short stacking energy: -281.987 Base-Backbone interact. energy: -0.527 local terms energy: -326.931864 where: bonds (distance) C4'-P energy: -67.189 bonds (distance) P-C4' energy: -63.412 flat angles C4'-P-C4' energy: -72.928 flat angles P-C4'-P energy: -39.164 tors. eta vs tors. theta energy: -84.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -911.564840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.564840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.564840 (E_RNA) where: Base-Base interactions energy: -627.454 where: short stacking energy: -253.553 Base-Backbone interact. energy: -0.311 local terms energy: -283.799712 where: bonds (distance) C4'-P energy: -48.742 bonds (distance) P-C4' energy: -63.377 flat angles C4'-P-C4' energy: -65.638 flat angles P-C4'-P energy: -34.158 tors. eta vs tors. theta energy: -71.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -757.669142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.669142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.669142 (E_RNA) where: Base-Base interactions energy: -476.668 where: short stacking energy: -232.332 Base-Backbone interact. energy: -2.400 local terms energy: -278.600226 where: bonds (distance) C4'-P energy: -61.497 bonds (distance) P-C4' energy: -56.935 flat angles C4'-P-C4' energy: -60.225 flat angles P-C4'-P energy: -41.016 tors. eta vs tors. theta energy: -58.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -748.586667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.586667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.586667 (E_RNA) where: Base-Base interactions energy: -483.013 where: short stacking energy: -205.620 Base-Backbone interact. energy: -1.180 local terms energy: -264.393712 where: bonds (distance) C4'-P energy: -56.160 bonds (distance) P-C4' energy: -59.384 flat angles C4'-P-C4' energy: -58.574 flat angles P-C4'-P energy: -36.523 tors. eta vs tors. theta energy: -53.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -552.302236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.302236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.302236 (E_RNA) where: Base-Base interactions energy: -320.309 where: short stacking energy: -164.761 Base-Backbone interact. energy: 2.062 local terms energy: -234.055684 where: bonds (distance) C4'-P energy: -54.692 bonds (distance) P-C4' energy: -52.496 flat angles C4'-P-C4' energy: -56.578 flat angles P-C4'-P energy: -37.974 tors. eta vs tors. theta energy: -32.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -322.871073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.871073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.871073 (E_RNA) where: Base-Base interactions energy: -165.142 where: short stacking energy: -96.522 Base-Backbone interact. energy: -0.400 local terms energy: -157.328993 where: bonds (distance) C4'-P energy: -43.961 bonds (distance) P-C4' energy: -48.473 flat angles C4'-P-C4' energy: -39.891 flat angles P-C4'-P energy: -36.911 tors. eta vs tors. theta energy: 11.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -269.300538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.300538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.300538 (E_RNA) where: Base-Base interactions energy: -79.574 where: short stacking energy: -55.131 Base-Backbone interact. energy: -2.464 local terms energy: -187.262753 where: bonds (distance) C4'-P energy: -47.582 bonds (distance) P-C4' energy: -61.214 flat angles C4'-P-C4' energy: -57.843 flat angles P-C4'-P energy: -34.817 tors. eta vs tors. theta energy: 14.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1134.085236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.085236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.085236 (E_RNA) where: Base-Base interactions energy: -803.592 where: short stacking energy: -333.589 Base-Backbone interact. energy: -1.239 local terms energy: -329.254268 where: bonds (distance) C4'-P energy: -64.578 bonds (distance) P-C4' energy: -55.048 flat angles C4'-P-C4' energy: -71.948 flat angles P-C4'-P energy: -41.703 tors. eta vs tors. theta energy: -95.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1068.739795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.739795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.739795 (E_RNA) where: Base-Base interactions energy: -739.179 where: short stacking energy: -309.521 Base-Backbone interact. energy: -1.814 local terms energy: -327.746625 where: bonds (distance) C4'-P energy: -62.938 bonds (distance) P-C4' energy: -57.382 flat angles C4'-P-C4' energy: -73.792 flat angles P-C4'-P energy: -41.501 tors. eta vs tors. theta energy: -92.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1072.101749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.101749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.101749 (E_RNA) where: Base-Base interactions energy: -744.959 where: short stacking energy: -311.338 Base-Backbone interact. energy: -1.260 local terms energy: -325.883272 where: bonds (distance) C4'-P energy: -49.744 bonds (distance) P-C4' energy: -69.632 flat angles C4'-P-C4' energy: -71.015 flat angles P-C4'-P energy: -51.402 tors. eta vs tors. theta energy: -84.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -977.569666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.569666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.569666 (E_RNA) where: Base-Base interactions energy: -662.406 where: short stacking energy: -300.860 Base-Backbone interact. energy: -0.753 local terms energy: -314.410610 where: bonds (distance) C4'-P energy: -58.617 bonds (distance) P-C4' energy: -54.497 flat angles C4'-P-C4' energy: -68.996 flat angles P-C4'-P energy: -45.939 tors. eta vs tors. theta energy: -86.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -918.723640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.723640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.723640 (E_RNA) where: Base-Base interactions energy: -623.321 where: short stacking energy: -273.622 Base-Backbone interact. energy: 2.587 local terms energy: -297.989970 where: bonds (distance) C4'-P energy: -57.428 bonds (distance) P-C4' energy: -61.730 flat angles C4'-P-C4' energy: -64.451 flat angles P-C4'-P energy: -43.787 tors. eta vs tors. theta energy: -70.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -759.691658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.691658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.691658 (E_RNA) where: Base-Base interactions energy: -486.763 where: short stacking energy: -224.990 Base-Backbone interact. energy: 4.109 local terms energy: -277.038440 where: bonds (distance) C4'-P energy: -54.888 bonds (distance) P-C4' energy: -57.312 flat angles C4'-P-C4' energy: -70.456 flat angles P-C4'-P energy: -36.599 tors. eta vs tors. theta energy: -57.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -805.715091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.715091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.715091 (E_RNA) where: Base-Base interactions energy: -518.179 where: short stacking energy: -240.263 Base-Backbone interact. energy: 0.837 local terms energy: -288.372974 where: bonds (distance) C4'-P energy: -61.871 bonds (distance) P-C4' energy: -51.781 flat angles C4'-P-C4' energy: -63.808 flat angles P-C4'-P energy: -40.578 tors. eta vs tors. theta energy: -70.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -566.258754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.258754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.258754 (E_RNA) where: Base-Base interactions energy: -318.297 where: short stacking energy: -166.268 Base-Backbone interact. energy: -0.874 local terms energy: -247.087651 where: bonds (distance) C4'-P energy: -63.249 bonds (distance) P-C4' energy: -59.696 flat angles C4'-P-C4' energy: -51.746 flat angles P-C4'-P energy: -31.881 tors. eta vs tors. theta energy: -40.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -362.245644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.245644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.245644 (E_RNA) where: Base-Base interactions energy: -175.315 where: short stacking energy: -106.465 Base-Backbone interact. energy: -0.900 local terms energy: -186.031261 where: bonds (distance) C4'-P energy: -47.314 bonds (distance) P-C4' energy: -57.868 flat angles C4'-P-C4' energy: -49.816 flat angles P-C4'-P energy: -21.464 tors. eta vs tors. theta energy: -9.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -267.002018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.002018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.002018 (E_RNA) where: Base-Base interactions energy: -72.724 where: short stacking energy: -58.249 Base-Backbone interact. energy: -0.815 local terms energy: -193.463694 where: bonds (distance) C4'-P energy: -57.224 bonds (distance) P-C4' energy: -64.998 flat angles C4'-P-C4' energy: -52.198 flat angles P-C4'-P energy: -36.536 tors. eta vs tors. theta energy: 17.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1109.490703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.490703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.490703 (E_RNA) where: Base-Base interactions energy: -790.503 where: short stacking energy: -324.950 Base-Backbone interact. energy: 4.320 local terms energy: -323.308163 where: bonds (distance) C4'-P energy: -51.881 bonds (distance) P-C4' energy: -56.012 flat angles C4'-P-C4' energy: -75.806 flat angles P-C4'-P energy: -42.930 tors. eta vs tors. theta energy: -96.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1085.251241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.251241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.251241 (E_RNA) where: Base-Base interactions energy: -752.271 where: short stacking energy: -324.584 Base-Backbone interact. energy: 1.396 local terms energy: -334.376360 where: bonds (distance) C4'-P energy: -54.299 bonds (distance) P-C4' energy: -61.403 flat angles C4'-P-C4' energy: -72.444 flat angles P-C4'-P energy: -50.633 tors. eta vs tors. theta energy: -95.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1050.632592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.632592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.632592 (E_RNA) where: Base-Base interactions energy: -727.175 where: short stacking energy: -290.723 Base-Backbone interact. energy: -1.209 local terms energy: -322.248730 where: bonds (distance) C4'-P energy: -53.351 bonds (distance) P-C4' energy: -76.954 flat angles C4'-P-C4' energy: -63.305 flat angles P-C4'-P energy: -46.912 tors. eta vs tors. theta energy: -81.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -967.867517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.867517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.867517 (E_RNA) where: Base-Base interactions energy: -673.309 where: short stacking energy: -298.803 Base-Backbone interact. energy: -1.024 local terms energy: -293.535154 where: bonds (distance) C4'-P energy: -63.429 bonds (distance) P-C4' energy: -47.274 flat angles C4'-P-C4' energy: -66.822 flat angles P-C4'-P energy: -33.984 tors. eta vs tors. theta energy: -82.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -927.290035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.290035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.290035 (E_RNA) where: Base-Base interactions energy: -624.032 where: short stacking energy: -269.050 Base-Backbone interact. energy: 1.843 local terms energy: -305.100731 where: bonds (distance) C4'-P energy: -63.088 bonds (distance) P-C4' energy: -57.422 flat angles C4'-P-C4' energy: -71.205 flat angles P-C4'-P energy: -38.094 tors. eta vs tors. theta energy: -75.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -764.743010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.743010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.743010 (E_RNA) where: Base-Base interactions energy: -509.801 where: short stacking energy: -225.924 Base-Backbone interact. energy: -0.653 local terms energy: -254.289107 where: bonds (distance) C4'-P energy: -47.453 bonds (distance) P-C4' energy: -58.634 flat angles C4'-P-C4' energy: -57.137 flat angles P-C4'-P energy: -38.916 tors. eta vs tors. theta energy: -52.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -793.962817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.962817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.962817 (E_RNA) where: Base-Base interactions energy: -530.336 where: short stacking energy: -238.240 Base-Backbone interact. energy: -2.851 local terms energy: -260.776065 where: bonds (distance) C4'-P energy: -47.771 bonds (distance) P-C4' energy: -58.949 flat angles C4'-P-C4' energy: -51.775 flat angles P-C4'-P energy: -32.168 tors. eta vs tors. theta energy: -70.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -555.281985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.281985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.281985 (E_RNA) where: Base-Base interactions energy: -313.779 where: short stacking energy: -159.506 Base-Backbone interact. energy: 0.291 local terms energy: -241.793733 where: bonds (distance) C4'-P energy: -57.794 bonds (distance) P-C4' energy: -51.276 flat angles C4'-P-C4' energy: -52.676 flat angles P-C4'-P energy: -41.870 tors. eta vs tors. theta energy: -38.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -297.330526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.330526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.330526 (E_RNA) where: Base-Base interactions energy: -105.991 where: short stacking energy: -83.307 Base-Backbone interact. energy: -0.725 local terms energy: -190.614485 where: bonds (distance) C4'-P energy: -55.936 bonds (distance) P-C4' energy: -64.328 flat angles C4'-P-C4' energy: -45.680 flat angles P-C4'-P energy: -31.589 tors. eta vs tors. theta energy: 6.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -299.585589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.585589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.585589 (E_RNA) where: Base-Base interactions energy: -135.768 where: short stacking energy: -89.037 Base-Backbone interact. energy: 2.476 local terms energy: -166.294018 where: bonds (distance) C4'-P energy: -49.762 bonds (distance) P-C4' energy: -50.618 flat angles C4'-P-C4' energy: -45.080 flat angles P-C4'-P energy: -20.881 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1113.975123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.975123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.975123 (E_RNA) where: Base-Base interactions energy: -778.212 where: short stacking energy: -332.884 Base-Backbone interact. energy: 2.873 local terms energy: -338.636071 where: bonds (distance) C4'-P energy: -61.994 bonds (distance) P-C4' energy: -65.535 flat angles C4'-P-C4' energy: -68.698 flat angles P-C4'-P energy: -44.490 tors. eta vs tors. theta energy: -97.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1077.585254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.585254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.585254 (E_RNA) where: Base-Base interactions energy: -747.977 where: short stacking energy: -324.112 Base-Backbone interact. energy: 1.117 local terms energy: -330.725249 where: bonds (distance) C4'-P energy: -67.230 bonds (distance) P-C4' energy: -56.650 flat angles C4'-P-C4' energy: -71.411 flat angles P-C4'-P energy: -44.820 tors. eta vs tors. theta energy: -90.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1072.484590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.484590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.484590 (E_RNA) where: Base-Base interactions energy: -752.426 where: short stacking energy: -303.409 Base-Backbone interact. energy: -2.131 local terms energy: -317.927238 where: bonds (distance) C4'-P energy: -50.558 bonds (distance) P-C4' energy: -68.424 flat angles C4'-P-C4' energy: -65.789 flat angles P-C4'-P energy: -46.710 tors. eta vs tors. theta energy: -86.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -947.869642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.869642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.869642 (E_RNA) where: Base-Base interactions energy: -651.434 where: short stacking energy: -288.988 Base-Backbone interact. energy: 3.303 local terms energy: -299.738098 where: bonds (distance) C4'-P energy: -53.701 bonds (distance) P-C4' energy: -56.292 flat angles C4'-P-C4' energy: -65.509 flat angles P-C4'-P energy: -42.398 tors. eta vs tors. theta energy: -81.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -919.988770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.988770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.988770 (E_RNA) where: Base-Base interactions energy: -621.435 where: short stacking energy: -275.994 Base-Backbone interact. energy: 1.880 local terms energy: -300.433328 where: bonds (distance) C4'-P energy: -56.396 bonds (distance) P-C4' energy: -59.965 flat angles C4'-P-C4' energy: -63.717 flat angles P-C4'-P energy: -37.719 tors. eta vs tors. theta energy: -82.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -794.695136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.695136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.695136 (E_RNA) where: Base-Base interactions energy: -507.152 where: short stacking energy: -234.632 Base-Backbone interact. energy: -1.993 local terms energy: -285.549796 where: bonds (distance) C4'-P energy: -64.516 bonds (distance) P-C4' energy: -55.871 flat angles C4'-P-C4' energy: -69.854 flat angles P-C4'-P energy: -39.459 tors. eta vs tors. theta energy: -55.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -720.639092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.639092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.639092 (E_RNA) where: Base-Base interactions energy: -479.286 where: short stacking energy: -233.594 Base-Backbone interact. energy: -1.817 local terms energy: -239.535907 where: bonds (distance) C4'-P energy: -60.264 bonds (distance) P-C4' energy: -49.942 flat angles C4'-P-C4' energy: -40.255 flat angles P-C4'-P energy: -38.956 tors. eta vs tors. theta energy: -50.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -535.654136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.654136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.654136 (E_RNA) where: Base-Base interactions energy: -288.434 where: short stacking energy: -161.165 Base-Backbone interact. energy: -1.287 local terms energy: -245.932586 where: bonds (distance) C4'-P energy: -49.409 bonds (distance) P-C4' energy: -55.873 flat angles C4'-P-C4' energy: -66.494 flat angles P-C4'-P energy: -37.795 tors. eta vs tors. theta energy: -36.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -303.296225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.296225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.296225 (E_RNA) where: Base-Base interactions energy: -122.031 where: short stacking energy: -108.282 Base-Backbone interact. energy: -0.776 local terms energy: -180.488726 where: bonds (distance) C4'-P energy: -55.907 bonds (distance) P-C4' energy: -63.419 flat angles C4'-P-C4' energy: -37.716 flat angles P-C4'-P energy: -17.548 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -307.742438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.742438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.742438 (E_RNA) where: Base-Base interactions energy: -126.813 where: short stacking energy: -100.984 Base-Backbone interact. energy: 0.322 local terms energy: -181.251916 where: bonds (distance) C4'-P energy: -51.540 bonds (distance) P-C4' energy: -61.896 flat angles C4'-P-C4' energy: -36.651 flat angles P-C4'-P energy: -28.789 tors. eta vs tors. theta energy: -2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1124.358854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.358854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.358854 (E_RNA) where: Base-Base interactions energy: -779.689 where: short stacking energy: -332.635 Base-Backbone interact. energy: 0.929 local terms energy: -345.599097 where: bonds (distance) C4'-P energy: -62.309 bonds (distance) P-C4' energy: -72.814 flat angles C4'-P-C4' energy: -64.084 flat angles P-C4'-P energy: -51.958 tors. eta vs tors. theta energy: -94.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1085.521222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.521222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.521222 (E_RNA) where: Base-Base interactions energy: -772.475 where: short stacking energy: -333.978 Base-Backbone interact. energy: -0.153 local terms energy: -312.892280 where: bonds (distance) C4'-P energy: -56.150 bonds (distance) P-C4' energy: -53.815 flat angles C4'-P-C4' energy: -65.734 flat angles P-C4'-P energy: -39.955 tors. eta vs tors. theta energy: -97.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1044.251661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.251661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.251661 (E_RNA) where: Base-Base interactions energy: -741.160 where: short stacking energy: -287.983 Base-Backbone interact. energy: -1.589 local terms energy: -301.502749 where: bonds (distance) C4'-P energy: -60.476 bonds (distance) P-C4' energy: -54.034 flat angles C4'-P-C4' energy: -63.219 flat angles P-C4'-P energy: -46.238 tors. eta vs tors. theta energy: -77.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -984.167087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.167087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.167087 (E_RNA) where: Base-Base interactions energy: -664.318 where: short stacking energy: -294.436 Base-Backbone interact. energy: 1.910 local terms energy: -321.758436 where: bonds (distance) C4'-P energy: -46.862 bonds (distance) P-C4' energy: -56.773 flat angles C4'-P-C4' energy: -73.729 flat angles P-C4'-P energy: -48.750 tors. eta vs tors. theta energy: -95.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -945.001574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.001574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.001574 (E_RNA) where: Base-Base interactions energy: -625.505 where: short stacking energy: -275.117 Base-Backbone interact. energy: -0.172 local terms energy: -319.324305 where: bonds (distance) C4'-P energy: -56.566 bonds (distance) P-C4' energy: -66.407 flat angles C4'-P-C4' energy: -70.624 flat angles P-C4'-P energy: -42.745 tors. eta vs tors. theta energy: -82.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -785.700028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.700028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.700028 (E_RNA) where: Base-Base interactions energy: -512.212 where: short stacking energy: -247.728 Base-Backbone interact. energy: -1.292 local terms energy: -272.196240 where: bonds (distance) C4'-P energy: -54.946 bonds (distance) P-C4' energy: -62.080 flat angles C4'-P-C4' energy: -50.439 flat angles P-C4'-P energy: -35.010 tors. eta vs tors. theta energy: -69.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -738.117306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.117306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.117306 (E_RNA) where: Base-Base interactions energy: -465.177 where: short stacking energy: -220.948 Base-Backbone interact. energy: -0.874 local terms energy: -272.066265 where: bonds (distance) C4'-P energy: -53.999 bonds (distance) P-C4' energy: -58.762 flat angles C4'-P-C4' energy: -57.942 flat angles P-C4'-P energy: -42.365 tors. eta vs tors. theta energy: -58.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -533.395425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.395425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.395425 (E_RNA) where: Base-Base interactions energy: -321.850 where: short stacking energy: -151.518 Base-Backbone interact. energy: 1.270 local terms energy: -212.815546 where: bonds (distance) C4'-P energy: -53.400 bonds (distance) P-C4' energy: -51.525 flat angles C4'-P-C4' energy: -44.593 flat angles P-C4'-P energy: -39.353 tors. eta vs tors. theta energy: -23.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -286.988207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.988207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.988207 (E_RNA) where: Base-Base interactions energy: -107.384 where: short stacking energy: -95.593 Base-Backbone interact. energy: 0.784 local terms energy: -180.387860 where: bonds (distance) C4'-P energy: -46.312 bonds (distance) P-C4' energy: -52.474 flat angles C4'-P-C4' energy: -46.507 flat angles P-C4'-P energy: -31.760 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -267.571485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.571485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.571485 (E_RNA) where: Base-Base interactions energy: -92.410 where: short stacking energy: -76.887 Base-Backbone interact. energy: -0.817 local terms energy: -174.344377 where: bonds (distance) C4'-P energy: -54.056 bonds (distance) P-C4' energy: -51.715 flat angles C4'-P-C4' energy: -43.331 flat angles P-C4'-P energy: -31.790 tors. eta vs tors. theta energy: 6.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1118.491558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.491558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.491558 (E_RNA) where: Base-Base interactions energy: -795.043 where: short stacking energy: -317.290 Base-Backbone interact. energy: -2.661 local terms energy: -320.787813 where: bonds (distance) C4'-P energy: -55.503 bonds (distance) P-C4' energy: -61.047 flat angles C4'-P-C4' energy: -68.394 flat angles P-C4'-P energy: -46.501 tors. eta vs tors. theta energy: -89.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1095.238200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.238200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.238200 (E_RNA) where: Base-Base interactions energy: -748.387 where: short stacking energy: -312.069 Base-Backbone interact. energy: 1.151 local terms energy: -348.001919 where: bonds (distance) C4'-P energy: -65.892 bonds (distance) P-C4' energy: -64.113 flat angles C4'-P-C4' energy: -72.233 flat angles P-C4'-P energy: -49.164 tors. eta vs tors. theta energy: -96.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1057.761969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.761969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.761969 (E_RNA) where: Base-Base interactions energy: -725.489 where: short stacking energy: -308.199 Base-Backbone interact. energy: -1.371 local terms energy: -330.902142 where: bonds (distance) C4'-P energy: -69.749 bonds (distance) P-C4' energy: -54.429 flat angles C4'-P-C4' energy: -67.279 flat angles P-C4'-P energy: -46.023 tors. eta vs tors. theta energy: -93.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -972.764069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.764069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.764069 (E_RNA) where: Base-Base interactions energy: -657.085 where: short stacking energy: -297.851 Base-Backbone interact. energy: -0.833 local terms energy: -314.846129 where: bonds (distance) C4'-P energy: -46.019 bonds (distance) P-C4' energy: -69.462 flat angles C4'-P-C4' energy: -71.336 flat angles P-C4'-P energy: -39.285 tors. eta vs tors. theta energy: -88.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -928.047402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.047402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.047402 (E_RNA) where: Base-Base interactions energy: -614.786 where: short stacking energy: -263.008 Base-Backbone interact. energy: -2.303 local terms energy: -310.957934 where: bonds (distance) C4'-P energy: -73.390 bonds (distance) P-C4' energy: -53.992 flat angles C4'-P-C4' energy: -61.957 flat angles P-C4'-P energy: -47.208 tors. eta vs tors. theta energy: -74.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -781.870010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.870010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.870010 (E_RNA) where: Base-Base interactions energy: -493.193 where: short stacking energy: -242.000 Base-Backbone interact. energy: -1.380 local terms energy: -287.296927 where: bonds (distance) C4'-P energy: -49.662 bonds (distance) P-C4' energy: -65.321 flat angles C4'-P-C4' energy: -68.901 flat angles P-C4'-P energy: -37.607 tors. eta vs tors. theta energy: -65.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -744.796453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.796453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.796453 (E_RNA) where: Base-Base interactions energy: -467.778 where: short stacking energy: -230.078 Base-Backbone interact. energy: -1.441 local terms energy: -275.578247 where: bonds (distance) C4'-P energy: -43.919 bonds (distance) P-C4' energy: -64.236 flat angles C4'-P-C4' energy: -69.409 flat angles P-C4'-P energy: -33.962 tors. eta vs tors. theta energy: -64.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -557.768845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.768845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.768845 (E_RNA) where: Base-Base interactions energy: -325.845 where: short stacking energy: -172.054 Base-Backbone interact. energy: -0.832 local terms energy: -231.091795 where: bonds (distance) C4'-P energy: -44.606 bonds (distance) P-C4' energy: -51.975 flat angles C4'-P-C4' energy: -52.280 flat angles P-C4'-P energy: -37.567 tors. eta vs tors. theta energy: -44.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -279.867395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.867395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.867395 (E_RNA) where: Base-Base interactions energy: -104.743 where: short stacking energy: -93.747 Base-Backbone interact. energy: -0.606 local terms energy: -174.518543 where: bonds (distance) C4'-P energy: -50.278 bonds (distance) P-C4' energy: -47.771 flat angles C4'-P-C4' energy: -45.556 flat angles P-C4'-P energy: -24.940 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -330.169549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.169549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.169549 (E_RNA) where: Base-Base interactions energy: -139.644 where: short stacking energy: -107.420 Base-Backbone interact. energy: -1.182 local terms energy: -189.343709 where: bonds (distance) C4'-P energy: -45.522 bonds (distance) P-C4' energy: -50.193 flat angles C4'-P-C4' energy: -54.385 flat angles P-C4'-P energy: -31.126 tors. eta vs tors. theta energy: -8.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1129.961060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.961060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.961060 (E_RNA) where: Base-Base interactions energy: -791.044 where: short stacking energy: -335.371 Base-Backbone interact. energy: 5.841 local terms energy: -344.758136 where: bonds (distance) C4'-P energy: -56.188 bonds (distance) P-C4' energy: -65.292 flat angles C4'-P-C4' energy: -75.559 flat angles P-C4'-P energy: -54.802 tors. eta vs tors. theta energy: -92.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1092.679346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.679346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.679346 (E_RNA) where: Base-Base interactions energy: -754.891 where: short stacking energy: -317.241 Base-Backbone interact. energy: -0.847 local terms energy: -336.940819 where: bonds (distance) C4'-P energy: -59.444 bonds (distance) P-C4' energy: -67.400 flat angles C4'-P-C4' energy: -76.834 flat angles P-C4'-P energy: -39.547 tors. eta vs tors. theta energy: -93.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1055.321452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.321452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.321452 (E_RNA) where: Base-Base interactions energy: -730.478 where: short stacking energy: -296.561 Base-Backbone interact. energy: -1.763 local terms energy: -323.081405 where: bonds (distance) C4'-P energy: -56.404 bonds (distance) P-C4' energy: -66.903 flat angles C4'-P-C4' energy: -70.738 flat angles P-C4'-P energy: -43.764 tors. eta vs tors. theta energy: -85.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -957.348828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.348828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.348828 (E_RNA) where: Base-Base interactions energy: -641.608 where: short stacking energy: -286.564 Base-Backbone interact. energy: -0.594 local terms energy: -315.146953 where: bonds (distance) C4'-P energy: -53.532 bonds (distance) P-C4' energy: -53.632 flat angles C4'-P-C4' energy: -67.777 flat angles P-C4'-P energy: -52.032 tors. eta vs tors. theta energy: -88.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -924.863289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.863289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.863289 (E_RNA) where: Base-Base interactions energy: -634.221 where: short stacking energy: -261.472 Base-Backbone interact. energy: -0.667 local terms energy: -289.974795 where: bonds (distance) C4'-P energy: -56.020 bonds (distance) P-C4' energy: -61.164 flat angles C4'-P-C4' energy: -62.628 flat angles P-C4'-P energy: -39.367 tors. eta vs tors. theta energy: -70.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -795.330987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.330987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.330987 (E_RNA) where: Base-Base interactions energy: -510.643 where: short stacking energy: -238.826 Base-Backbone interact. energy: -1.848 local terms energy: -282.840308 where: bonds (distance) C4'-P energy: -50.968 bonds (distance) P-C4' energy: -60.078 flat angles C4'-P-C4' energy: -65.477 flat angles P-C4'-P energy: -44.145 tors. eta vs tors. theta energy: -62.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -750.181676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.181676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.181676 (E_RNA) where: Base-Base interactions energy: -477.427 where: short stacking energy: -250.025 Base-Backbone interact. energy: -0.407 local terms energy: -272.347172 where: bonds (distance) C4'-P energy: -44.721 bonds (distance) P-C4' energy: -58.296 flat angles C4'-P-C4' energy: -63.267 flat angles P-C4'-P energy: -42.112 tors. eta vs tors. theta energy: -63.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -513.279350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.279350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.279350 (E_RNA) where: Base-Base interactions energy: -283.760 where: short stacking energy: -157.875 Base-Backbone interact. energy: 0.960 local terms energy: -230.479149 where: bonds (distance) C4'-P energy: -54.762 bonds (distance) P-C4' energy: -66.141 flat angles C4'-P-C4' energy: -40.204 flat angles P-C4'-P energy: -32.246 tors. eta vs tors. theta energy: -37.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -351.819620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.819620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.819620 (E_RNA) where: Base-Base interactions energy: -152.048 where: short stacking energy: -85.537 Base-Backbone interact. energy: -0.272 local terms energy: -199.498742 where: bonds (distance) C4'-P energy: -59.515 bonds (distance) P-C4' energy: -66.271 flat angles C4'-P-C4' energy: -50.762 flat angles P-C4'-P energy: -30.439 tors. eta vs tors. theta energy: 7.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -277.891493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.891493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.891493 (E_RNA) where: Base-Base interactions energy: -119.372 where: short stacking energy: -77.867 Base-Backbone interact. energy: -1.209 local terms energy: -157.310763 where: bonds (distance) C4'-P energy: -45.128 bonds (distance) P-C4' energy: -55.572 flat angles C4'-P-C4' energy: -44.391 flat angles P-C4'-P energy: -29.715 tors. eta vs tors. theta energy: 17.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1135.587830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.587830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.587830 (E_RNA) where: Base-Base interactions energy: -791.074 where: short stacking energy: -342.329 Base-Backbone interact. energy: 0.485 local terms energy: -344.998477 where: bonds (distance) C4'-P energy: -65.416 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -67.013 flat angles P-C4'-P energy: -54.140 tors. eta vs tors. theta energy: -95.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1079.308374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.308374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.308374 (E_RNA) where: Base-Base interactions energy: -729.095 where: short stacking energy: -302.355 Base-Backbone interact. energy: -0.095 local terms energy: -350.119126 where: bonds (distance) C4'-P energy: -67.687 bonds (distance) P-C4' energy: -69.204 flat angles C4'-P-C4' energy: -74.127 flat angles P-C4'-P energy: -47.496 tors. eta vs tors. theta energy: -91.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1039.188744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.188744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.188744 (E_RNA) where: Base-Base interactions energy: -735.623 where: short stacking energy: -285.854 Base-Backbone interact. energy: 0.321 local terms energy: -303.886562 where: bonds (distance) C4'-P energy: -54.530 bonds (distance) P-C4' energy: -52.645 flat angles C4'-P-C4' energy: -66.150 flat angles P-C4'-P energy: -45.477 tors. eta vs tors. theta energy: -85.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -988.790230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.790230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.790230 (E_RNA) where: Base-Base interactions energy: -669.970 where: short stacking energy: -315.538 Base-Backbone interact. energy: -2.380 local terms energy: -316.440107 where: bonds (distance) C4'-P energy: -65.916 bonds (distance) P-C4' energy: -57.446 flat angles C4'-P-C4' energy: -57.477 flat angles P-C4'-P energy: -35.709 tors. eta vs tors. theta energy: -99.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -928.108597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.108597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.108597 (E_RNA) where: Base-Base interactions energy: -631.263 where: short stacking energy: -268.683 Base-Backbone interact. energy: -1.026 local terms energy: -295.819640 where: bonds (distance) C4'-P energy: -56.956 bonds (distance) P-C4' energy: -59.507 flat angles C4'-P-C4' energy: -66.692 flat angles P-C4'-P energy: -33.354 tors. eta vs tors. theta energy: -79.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -748.228074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.228074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.228074 (E_RNA) where: Base-Base interactions energy: -489.814 where: short stacking energy: -230.868 Base-Backbone interact. energy: 0.008 local terms energy: -258.421831 where: bonds (distance) C4'-P energy: -55.936 bonds (distance) P-C4' energy: -54.267 flat angles C4'-P-C4' energy: -60.494 flat angles P-C4'-P energy: -33.691 tors. eta vs tors. theta energy: -54.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -778.950592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.950592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.950592 (E_RNA) where: Base-Base interactions energy: -506.671 where: short stacking energy: -249.570 Base-Backbone interact. energy: -0.854 local terms energy: -271.425795 where: bonds (distance) C4'-P energy: -60.254 bonds (distance) P-C4' energy: -53.890 flat angles C4'-P-C4' energy: -60.690 flat angles P-C4'-P energy: -38.760 tors. eta vs tors. theta energy: -57.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -558.892564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.892564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.892564 (E_RNA) where: Base-Base interactions energy: -348.958 where: short stacking energy: -159.259 Base-Backbone interact. energy: -1.947 local terms energy: -207.987880 where: bonds (distance) C4'-P energy: -60.785 bonds (distance) P-C4' energy: -55.029 flat angles C4'-P-C4' energy: -40.399 flat angles P-C4'-P energy: -23.826 tors. eta vs tors. theta energy: -27.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -347.207208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.207208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.207208 (E_RNA) where: Base-Base interactions energy: -159.343 where: short stacking energy: -103.348 Base-Backbone interact. energy: -2.279 local terms energy: -185.585194 where: bonds (distance) C4'-P energy: -52.022 bonds (distance) P-C4' energy: -58.609 flat angles C4'-P-C4' energy: -46.322 flat angles P-C4'-P energy: -25.382 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -350.704163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.704163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.704163 (E_RNA) where: Base-Base interactions energy: -156.853 where: short stacking energy: -101.960 Base-Backbone interact. energy: -2.946 local terms energy: -190.905270 where: bonds (distance) C4'-P energy: -55.361 bonds (distance) P-C4' energy: -45.387 flat angles C4'-P-C4' energy: -56.242 flat angles P-C4'-P energy: -33.976 tors. eta vs tors. theta energy: 0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1130.636681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.636681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.636681 (E_RNA) where: Base-Base interactions energy: -774.127 where: short stacking energy: -339.472 Base-Backbone interact. energy: -1.450 local terms energy: -355.059534 where: bonds (distance) C4'-P energy: -61.267 bonds (distance) P-C4' energy: -72.890 flat angles C4'-P-C4' energy: -74.911 flat angles P-C4'-P energy: -46.110 tors. eta vs tors. theta energy: -99.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1086.942683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.942683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.942683 (E_RNA) where: Base-Base interactions energy: -743.727 where: short stacking energy: -322.486 Base-Backbone interact. energy: -0.992 local terms energy: -342.224183 where: bonds (distance) C4'-P energy: -64.531 bonds (distance) P-C4' energy: -68.197 flat angles C4'-P-C4' energy: -68.475 flat angles P-C4'-P energy: -43.715 tors. eta vs tors. theta energy: -97.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1057.767849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.767849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.767849 (E_RNA) where: Base-Base interactions energy: -759.322 where: short stacking energy: -300.281 Base-Backbone interact. energy: 0.266 local terms energy: -298.711696 where: bonds (distance) C4'-P energy: -61.451 bonds (distance) P-C4' energy: -57.493 flat angles C4'-P-C4' energy: -58.505 flat angles P-C4'-P energy: -43.943 tors. eta vs tors. theta energy: -77.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -965.478815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.478815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.478815 (E_RNA) where: Base-Base interactions energy: -651.739 where: short stacking energy: -298.016 Base-Backbone interact. energy: -2.283 local terms energy: -311.457481 where: bonds (distance) C4'-P energy: -51.018 bonds (distance) P-C4' energy: -66.318 flat angles C4'-P-C4' energy: -67.383 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -84.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -944.634130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.634130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.634130 (E_RNA) where: Base-Base interactions energy: -631.944 where: short stacking energy: -273.369 Base-Backbone interact. energy: -0.963 local terms energy: -311.727644 where: bonds (distance) C4'-P energy: -54.462 bonds (distance) P-C4' energy: -57.362 flat angles C4'-P-C4' energy: -65.719 flat angles P-C4'-P energy: -45.100 tors. eta vs tors. theta energy: -89.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -728.731019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.731019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.731019 (E_RNA) where: Base-Base interactions energy: -465.721 where: short stacking energy: -214.907 Base-Backbone interact. energy: 0.246 local terms energy: -263.255741 where: bonds (distance) C4'-P energy: -49.399 bonds (distance) P-C4' energy: -62.828 flat angles C4'-P-C4' energy: -67.273 flat angles P-C4'-P energy: -34.638 tors. eta vs tors. theta energy: -49.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -774.587474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.587474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.587474 (E_RNA) where: Base-Base interactions energy: -506.017 where: short stacking energy: -232.813 Base-Backbone interact. energy: -0.699 local terms energy: -267.871063 where: bonds (distance) C4'-P energy: -58.053 bonds (distance) P-C4' energy: -53.953 flat angles C4'-P-C4' energy: -55.008 flat angles P-C4'-P energy: -40.108 tors. eta vs tors. theta energy: -60.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -578.147304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.147304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.147304 (E_RNA) where: Base-Base interactions energy: -356.867 where: short stacking energy: -170.307 Base-Backbone interact. energy: -1.592 local terms energy: -219.688591 where: bonds (distance) C4'-P energy: -46.333 bonds (distance) P-C4' energy: -40.727 flat angles C4'-P-C4' energy: -54.848 flat angles P-C4'-P energy: -40.376 tors. eta vs tors. theta energy: -37.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -355.086745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.086745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.086745 (E_RNA) where: Base-Base interactions energy: -163.547 where: short stacking energy: -101.042 Base-Backbone interact. energy: -1.581 local terms energy: -189.959661 where: bonds (distance) C4'-P energy: -56.227 bonds (distance) P-C4' energy: -66.160 flat angles C4'-P-C4' energy: -51.639 flat angles P-C4'-P energy: -13.234 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -255.105840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.105840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.105840 (E_RNA) where: Base-Base interactions energy: -92.277 where: short stacking energy: -62.715 Base-Backbone interact. energy: -0.989 local terms energy: -161.839344 where: bonds (distance) C4'-P energy: -56.098 bonds (distance) P-C4' energy: -57.496 flat angles C4'-P-C4' energy: -38.351 flat angles P-C4'-P energy: -19.027 tors. eta vs tors. theta energy: 9.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1132.101665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.101665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.101665 (E_RNA) where: Base-Base interactions energy: -791.913 where: short stacking energy: -338.003 Base-Backbone interact. energy: -3.563 local terms energy: -336.625508 where: bonds (distance) C4'-P energy: -61.357 bonds (distance) P-C4' energy: -65.461 flat angles C4'-P-C4' energy: -69.341 flat angles P-C4'-P energy: -41.379 tors. eta vs tors. theta energy: -99.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1059.880033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.880033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.880033 (E_RNA) where: Base-Base interactions energy: -738.396 where: short stacking energy: -323.500 Base-Backbone interact. energy: -0.993 local terms energy: -320.491339 where: bonds (distance) C4'-P energy: -60.888 bonds (distance) P-C4' energy: -61.739 flat angles C4'-P-C4' energy: -66.636 flat angles P-C4'-P energy: -46.472 tors. eta vs tors. theta energy: -84.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1047.625700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.625700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.625700 (E_RNA) where: Base-Base interactions energy: -735.179 where: short stacking energy: -289.283 Base-Backbone interact. energy: -3.225 local terms energy: -309.221438 where: bonds (distance) C4'-P energy: -57.829 bonds (distance) P-C4' energy: -68.905 flat angles C4'-P-C4' energy: -65.874 flat angles P-C4'-P energy: -38.276 tors. eta vs tors. theta energy: -78.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -928.987686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.987686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.987686 (E_RNA) where: Base-Base interactions energy: -645.698 where: short stacking energy: -259.182 Base-Backbone interact. energy: -2.483 local terms energy: -280.805867 where: bonds (distance) C4'-P energy: -53.388 bonds (distance) P-C4' energy: -63.494 flat angles C4'-P-C4' energy: -59.382 flat angles P-C4'-P energy: -35.666 tors. eta vs tors. theta energy: -68.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -949.335468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.335468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.335468 (E_RNA) where: Base-Base interactions energy: -624.929 where: short stacking energy: -291.515 Base-Backbone interact. energy: -3.246 local terms energy: -321.160802 where: bonds (distance) C4'-P energy: -54.058 bonds (distance) P-C4' energy: -60.141 flat angles C4'-P-C4' energy: -69.154 flat angles P-C4'-P energy: -50.606 tors. eta vs tors. theta energy: -87.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -801.648097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.648097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.648097 (E_RNA) where: Base-Base interactions energy: -532.368 where: short stacking energy: -252.038 Base-Backbone interact. energy: -2.927 local terms energy: -266.353299 where: bonds (distance) C4'-P energy: -47.600 bonds (distance) P-C4' energy: -55.255 flat angles C4'-P-C4' energy: -65.100 flat angles P-C4'-P energy: -36.320 tors. eta vs tors. theta energy: -62.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -657.911800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.911800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.911800 (E_RNA) where: Base-Base interactions energy: -413.141 where: short stacking energy: -187.962 Base-Backbone interact. energy: -0.716 local terms energy: -244.053924 where: bonds (distance) C4'-P energy: -48.323 bonds (distance) P-C4' energy: -51.959 flat angles C4'-P-C4' energy: -55.161 flat angles P-C4'-P energy: -43.952 tors. eta vs tors. theta energy: -44.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -545.455153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.455153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.455153 (E_RNA) where: Base-Base interactions energy: -320.117 where: short stacking energy: -159.485 Base-Backbone interact. energy: -1.674 local terms energy: -223.664434 where: bonds (distance) C4'-P energy: -52.300 bonds (distance) P-C4' energy: -53.599 flat angles C4'-P-C4' energy: -57.572 flat angles P-C4'-P energy: -30.936 tors. eta vs tors. theta energy: -29.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -351.759890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.759890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.759890 (E_RNA) where: Base-Base interactions energy: -157.337 where: short stacking energy: -96.678 Base-Backbone interact. energy: 0.729 local terms energy: -195.152325 where: bonds (distance) C4'-P energy: -57.778 bonds (distance) P-C4' energy: -55.221 flat angles C4'-P-C4' energy: -52.842 flat angles P-C4'-P energy: -28.581 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -286.240895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.240895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.240895 (E_RNA) where: Base-Base interactions energy: -117.284 where: short stacking energy: -67.019 Base-Backbone interact. energy: -0.787 local terms energy: -168.169206 where: bonds (distance) C4'-P energy: -49.728 bonds (distance) P-C4' energy: -63.887 flat angles C4'-P-C4' energy: -50.670 flat angles P-C4'-P energy: -17.987 tors. eta vs tors. theta energy: 14.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1124.558242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.558242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.558242 (E_RNA) where: Base-Base interactions energy: -781.065 where: short stacking energy: -331.685 Base-Backbone interact. energy: -0.463 local terms energy: -343.029768 where: bonds (distance) C4'-P energy: -68.371 bonds (distance) P-C4' energy: -57.132 flat angles C4'-P-C4' energy: -79.444 flat angles P-C4'-P energy: -43.638 tors. eta vs tors. theta energy: -94.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1058.740978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.740978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.740978 (E_RNA) where: Base-Base interactions energy: -724.245 where: short stacking energy: -286.883 Base-Backbone interact. energy: 0.465 local terms energy: -334.961244 where: bonds (distance) C4'-P energy: -70.504 bonds (distance) P-C4' energy: -60.855 flat angles C4'-P-C4' energy: -72.571 flat angles P-C4'-P energy: -42.841 tors. eta vs tors. theta energy: -88.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1045.818345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.818345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.818345 (E_RNA) where: Base-Base interactions energy: -747.241 where: short stacking energy: -296.338 Base-Backbone interact. energy: -0.898 local terms energy: -297.679110 where: bonds (distance) C4'-P energy: -56.476 bonds (distance) P-C4' energy: -56.131 flat angles C4'-P-C4' energy: -62.560 flat angles P-C4'-P energy: -40.711 tors. eta vs tors. theta energy: -81.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -956.732507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.732507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.732507 (E_RNA) where: Base-Base interactions energy: -655.291 where: short stacking energy: -255.149 Base-Backbone interact. energy: -2.923 local terms energy: -298.518299 where: bonds (distance) C4'-P energy: -65.146 bonds (distance) P-C4' energy: -64.695 flat angles C4'-P-C4' energy: -58.355 flat angles P-C4'-P energy: -40.125 tors. eta vs tors. theta energy: -70.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -932.826914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.826914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.826914 (E_RNA) where: Base-Base interactions energy: -639.528 where: short stacking energy: -293.476 Base-Backbone interact. energy: -0.484 local terms energy: -292.814688 where: bonds (distance) C4'-P energy: -47.327 bonds (distance) P-C4' energy: -55.162 flat angles C4'-P-C4' energy: -68.706 flat angles P-C4'-P energy: -45.285 tors. eta vs tors. theta energy: -76.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -805.038391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.038391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.038391 (E_RNA) where: Base-Base interactions energy: -515.079 where: short stacking energy: -234.928 Base-Backbone interact. energy: -1.593 local terms energy: -288.367105 where: bonds (distance) C4'-P energy: -57.019 bonds (distance) P-C4' energy: -51.382 flat angles C4'-P-C4' energy: -69.250 flat angles P-C4'-P energy: -49.701 tors. eta vs tors. theta energy: -61.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -643.889950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.889950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.889950 (E_RNA) where: Base-Base interactions energy: -381.921 where: short stacking energy: -182.746 Base-Backbone interact. energy: -2.008 local terms energy: -259.961262 where: bonds (distance) C4'-P energy: -55.937 bonds (distance) P-C4' energy: -65.168 flat angles C4'-P-C4' energy: -56.395 flat angles P-C4'-P energy: -33.504 tors. eta vs tors. theta energy: -48.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -495.517724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.517724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.517724 (E_RNA) where: Base-Base interactions energy: -267.236 where: short stacking energy: -163.147 Base-Backbone interact. energy: 1.613 local terms energy: -229.894887 where: bonds (distance) C4'-P energy: -53.818 bonds (distance) P-C4' energy: -56.010 flat angles C4'-P-C4' energy: -57.171 flat angles P-C4'-P energy: -33.118 tors. eta vs tors. theta energy: -29.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -344.857974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.857974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.857974 (E_RNA) where: Base-Base interactions energy: -134.483 where: short stacking energy: -85.489 Base-Backbone interact. energy: 0.475 local terms energy: -210.849605 where: bonds (distance) C4'-P energy: -50.339 bonds (distance) P-C4' energy: -61.938 flat angles C4'-P-C4' energy: -49.056 flat angles P-C4'-P energy: -43.313 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -278.886988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.886988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.886988 (E_RNA) where: Base-Base interactions energy: -100.045 where: short stacking energy: -70.933 Base-Backbone interact. energy: 1.963 local terms energy: -180.804944 where: bonds (distance) C4'-P energy: -48.324 bonds (distance) P-C4' energy: -66.118 flat angles C4'-P-C4' energy: -43.051 flat angles P-C4'-P energy: -34.761 tors. eta vs tors. theta energy: 11.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1131.980058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.980058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.980058 (E_RNA) where: Base-Base interactions energy: -789.551 where: short stacking energy: -333.433 Base-Backbone interact. energy: 3.008 local terms energy: -345.436652 where: bonds (distance) C4'-P energy: -71.715 bonds (distance) P-C4' energy: -61.920 flat angles C4'-P-C4' energy: -71.755 flat angles P-C4'-P energy: -46.045 tors. eta vs tors. theta energy: -94.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1052.123345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.123345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.123345 (E_RNA) where: Base-Base interactions energy: -738.690 where: short stacking energy: -322.336 Base-Backbone interact. energy: 0.032 local terms energy: -313.465248 where: bonds (distance) C4'-P energy: -58.005 bonds (distance) P-C4' energy: -58.711 flat angles C4'-P-C4' energy: -63.008 flat angles P-C4'-P energy: -39.619 tors. eta vs tors. theta energy: -94.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1059.299976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.299976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.299976 (E_RNA) where: Base-Base interactions energy: -735.978 where: short stacking energy: -297.752 Base-Backbone interact. energy: -0.757 local terms energy: -322.565704 where: bonds (distance) C4'-P energy: -65.726 bonds (distance) P-C4' energy: -61.877 flat angles C4'-P-C4' energy: -69.422 flat angles P-C4'-P energy: -41.487 tors. eta vs tors. theta energy: -84.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -965.984545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.984545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.984545 (E_RNA) where: Base-Base interactions energy: -644.983 where: short stacking energy: -298.016 Base-Backbone interact. energy: -0.821 local terms energy: -320.181038 where: bonds (distance) C4'-P energy: -53.884 bonds (distance) P-C4' energy: -64.184 flat angles C4'-P-C4' energy: -75.474 flat angles P-C4'-P energy: -42.053 tors. eta vs tors. theta energy: -84.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -944.035215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.035215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.035215 (E_RNA) where: Base-Base interactions energy: -636.429 where: short stacking energy: -278.923 Base-Backbone interact. energy: -1.494 local terms energy: -306.111692 where: bonds (distance) C4'-P energy: -60.095 bonds (distance) P-C4' energy: -60.383 flat angles C4'-P-C4' energy: -64.141 flat angles P-C4'-P energy: -35.186 tors. eta vs tors. theta energy: -86.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -810.485372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.485372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.485372 (E_RNA) where: Base-Base interactions energy: -531.831 where: short stacking energy: -255.537 Base-Backbone interact. energy: -1.406 local terms energy: -277.248398 where: bonds (distance) C4'-P energy: -57.020 bonds (distance) P-C4' energy: -60.766 flat angles C4'-P-C4' energy: -61.831 flat angles P-C4'-P energy: -36.802 tors. eta vs tors. theta energy: -60.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -660.903664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.903664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.903664 (E_RNA) where: Base-Base interactions energy: -395.058 where: short stacking energy: -205.392 Base-Backbone interact. energy: -3.033 local terms energy: -262.812711 where: bonds (distance) C4'-P energy: -59.480 bonds (distance) P-C4' energy: -62.316 flat angles C4'-P-C4' energy: -55.847 flat angles P-C4'-P energy: -40.084 tors. eta vs tors. theta energy: -45.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -452.798124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.798124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.798124 (E_RNA) where: Base-Base interactions energy: -233.597 where: short stacking energy: -140.771 Base-Backbone interact. energy: 0.105 local terms energy: -219.306418 where: bonds (distance) C4'-P energy: -49.430 bonds (distance) P-C4' energy: -58.624 flat angles C4'-P-C4' energy: -63.237 flat angles P-C4'-P energy: -38.403 tors. eta vs tors. theta energy: -9.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -335.285016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.285016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.285016 (E_RNA) where: Base-Base interactions energy: -168.784 where: short stacking energy: -93.867 Base-Backbone interact. energy: 1.477 local terms energy: -167.978353 where: bonds (distance) C4'-P energy: -45.864 bonds (distance) P-C4' energy: -55.183 flat angles C4'-P-C4' energy: -44.739 flat angles P-C4'-P energy: -30.404 tors. eta vs tors. theta energy: 8.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -320.871688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.871688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.871688 (E_RNA) where: Base-Base interactions energy: -132.388 where: short stacking energy: -68.521 Base-Backbone interact. energy: -1.561 local terms energy: -186.922895 where: bonds (distance) C4'-P energy: -39.494 bonds (distance) P-C4' energy: -51.116 flat angles C4'-P-C4' energy: -61.937 flat angles P-C4'-P energy: -34.414 tors. eta vs tors. theta energy: 0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1164.716611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.716611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.716611 (E_RNA) where: Base-Base interactions energy: -818.539 where: short stacking energy: -350.081 Base-Backbone interact. energy: -1.851 local terms energy: -344.327329 where: bonds (distance) C4'-P energy: -63.249 bonds (distance) P-C4' energy: -58.173 flat angles C4'-P-C4' energy: -73.035 flat angles P-C4'-P energy: -47.556 tors. eta vs tors. theta energy: -102.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1067.389718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.389718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.389718 (E_RNA) where: Base-Base interactions energy: -720.186 where: short stacking energy: -306.011 Base-Backbone interact. energy: 3.428 local terms energy: -350.631941 where: bonds (distance) C4'-P energy: -66.115 bonds (distance) P-C4' energy: -65.636 flat angles C4'-P-C4' energy: -77.286 flat angles P-C4'-P energy: -52.622 tors. eta vs tors. theta energy: -88.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1050.790745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.790745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.790745 (E_RNA) where: Base-Base interactions energy: -719.238 where: short stacking energy: -290.033 Base-Backbone interact. energy: -1.229 local terms energy: -330.323775 where: bonds (distance) C4'-P energy: -65.475 bonds (distance) P-C4' energy: -57.269 flat angles C4'-P-C4' energy: -67.313 flat angles P-C4'-P energy: -48.243 tors. eta vs tors. theta energy: -92.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -972.006867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.006867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.006867 (E_RNA) where: Base-Base interactions energy: -657.760 where: short stacking energy: -296.717 Base-Backbone interact. energy: -1.561 local terms energy: -312.685150 where: bonds (distance) C4'-P energy: -54.672 bonds (distance) P-C4' energy: -64.488 flat angles C4'-P-C4' energy: -59.884 flat angles P-C4'-P energy: -44.896 tors. eta vs tors. theta energy: -88.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -954.058896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.058896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.058896 (E_RNA) where: Base-Base interactions energy: -639.434 where: short stacking energy: -272.607 Base-Backbone interact. energy: -0.557 local terms energy: -314.068026 where: bonds (distance) C4'-P energy: -62.778 bonds (distance) P-C4' energy: -59.834 flat angles C4'-P-C4' energy: -67.348 flat angles P-C4'-P energy: -39.482 tors. eta vs tors. theta energy: -84.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -793.157112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.157112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.157112 (E_RNA) where: Base-Base interactions energy: -512.973 where: short stacking energy: -242.468 Base-Backbone interact. energy: -0.668 local terms energy: -279.516379 where: bonds (distance) C4'-P energy: -61.566 bonds (distance) P-C4' energy: -59.345 flat angles C4'-P-C4' energy: -64.222 flat angles P-C4'-P energy: -29.038 tors. eta vs tors. theta energy: -65.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -709.924318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.924318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.924318 (E_RNA) where: Base-Base interactions energy: -449.284 where: short stacking energy: -207.217 Base-Backbone interact. energy: -1.510 local terms energy: -259.130973 where: bonds (distance) C4'-P energy: -49.508 bonds (distance) P-C4' energy: -60.330 flat angles C4'-P-C4' energy: -53.076 flat angles P-C4'-P energy: -45.619 tors. eta vs tors. theta energy: -50.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -477.546424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.546424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.546424 (E_RNA) where: Base-Base interactions energy: -260.206 where: short stacking energy: -138.766 Base-Backbone interact. energy: -0.417 local terms energy: -216.923708 where: bonds (distance) C4'-P energy: -48.026 bonds (distance) P-C4' energy: -63.328 flat angles C4'-P-C4' energy: -43.580 flat angles P-C4'-P energy: -40.435 tors. eta vs tors. theta energy: -21.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -330.984836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.984836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.984836 (E_RNA) where: Base-Base interactions energy: -140.500 where: short stacking energy: -82.156 Base-Backbone interact. energy: 2.650 local terms energy: -193.134631 where: bonds (distance) C4'-P energy: -54.195 bonds (distance) P-C4' energy: -53.172 flat angles C4'-P-C4' energy: -58.661 flat angles P-C4'-P energy: -33.588 tors. eta vs tors. theta energy: 6.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -244.164314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.164314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.164314 (E_RNA) where: Base-Base interactions energy: -69.959 where: short stacking energy: -61.257 Base-Backbone interact. energy: 0.325 local terms energy: -174.529768 where: bonds (distance) C4'-P energy: -55.849 bonds (distance) P-C4' energy: -57.294 flat angles C4'-P-C4' energy: -45.630 flat angles P-C4'-P energy: -31.647 tors. eta vs tors. theta energy: 15.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1132.084775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.084775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.084775 (E_RNA) where: Base-Base interactions energy: -788.143 where: short stacking energy: -335.081 Base-Backbone interact. energy: -1.505 local terms energy: -342.437439 where: bonds (distance) C4'-P energy: -62.718 bonds (distance) P-C4' energy: -71.523 flat angles C4'-P-C4' energy: -58.183 flat angles P-C4'-P energy: -51.468 tors. eta vs tors. theta energy: -98.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1068.786553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.786553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.786553 (E_RNA) where: Base-Base interactions energy: -739.656 where: short stacking energy: -322.755 Base-Backbone interact. energy: -0.322 local terms energy: -328.808609 where: bonds (distance) C4'-P energy: -55.606 bonds (distance) P-C4' energy: -58.853 flat angles C4'-P-C4' energy: -82.374 flat angles P-C4'-P energy: -43.781 tors. eta vs tors. theta energy: -88.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1077.340095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.340095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.340095 (E_RNA) where: Base-Base interactions energy: -749.327 where: short stacking energy: -297.750 Base-Backbone interact. energy: 1.821 local terms energy: -329.834969 where: bonds (distance) C4'-P energy: -61.553 bonds (distance) P-C4' energy: -69.696 flat angles C4'-P-C4' energy: -67.719 flat angles P-C4'-P energy: -38.781 tors. eta vs tors. theta energy: -92.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -942.207203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.207203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.207203 (E_RNA) where: Base-Base interactions energy: -641.073 where: short stacking energy: -286.203 Base-Backbone interact. energy: -2.964 local terms energy: -298.169598 where: bonds (distance) C4'-P energy: -64.840 bonds (distance) P-C4' energy: -50.440 flat angles C4'-P-C4' energy: -60.214 flat angles P-C4'-P energy: -43.776 tors. eta vs tors. theta energy: -78.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -948.464934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.464934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.464934 (E_RNA) where: Base-Base interactions energy: -650.212 where: short stacking energy: -273.550 Base-Backbone interact. energy: 0.696 local terms energy: -298.948969 where: bonds (distance) C4'-P energy: -53.168 bonds (distance) P-C4' energy: -55.543 flat angles C4'-P-C4' energy: -77.587 flat angles P-C4'-P energy: -35.323 tors. eta vs tors. theta energy: -77.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -790.132986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.132986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.132986 (E_RNA) where: Base-Base interactions energy: -527.203 where: short stacking energy: -237.545 Base-Backbone interact. energy: -2.087 local terms energy: -260.842424 where: bonds (distance) C4'-P energy: -51.386 bonds (distance) P-C4' energy: -55.761 flat angles C4'-P-C4' energy: -57.293 flat angles P-C4'-P energy: -38.053 tors. eta vs tors. theta energy: -58.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -688.804492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.804492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.804492 (E_RNA) where: Base-Base interactions energy: -445.677 where: short stacking energy: -202.197 Base-Backbone interact. energy: -0.909 local terms energy: -242.217727 where: bonds (distance) C4'-P energy: -51.332 bonds (distance) P-C4' energy: -54.342 flat angles C4'-P-C4' energy: -59.543 flat angles P-C4'-P energy: -27.386 tors. eta vs tors. theta energy: -49.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -469.061702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.061702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.061702 (E_RNA) where: Base-Base interactions energy: -263.700 where: short stacking energy: -158.049 Base-Backbone interact. energy: -0.799 local terms energy: -204.563499 where: bonds (distance) C4'-P energy: -47.214 bonds (distance) P-C4' energy: -57.471 flat angles C4'-P-C4' energy: -48.121 flat angles P-C4'-P energy: -26.332 tors. eta vs tors. theta energy: -25.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -358.051468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.051468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.051468 (E_RNA) where: Base-Base interactions energy: -166.460 where: short stacking energy: -109.201 Base-Backbone interact. energy: 0.621 local terms energy: -192.213106 where: bonds (distance) C4'-P energy: -51.414 bonds (distance) P-C4' energy: -56.380 flat angles C4'-P-C4' energy: -47.502 flat angles P-C4'-P energy: -37.991 tors. eta vs tors. theta energy: 1.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -294.063217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.063217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.063217 (E_RNA) where: Base-Base interactions energy: -116.597 where: short stacking energy: -82.740 Base-Backbone interact. energy: 2.225 local terms energy: -179.690773 where: bonds (distance) C4'-P energy: -44.406 bonds (distance) P-C4' energy: -64.180 flat angles C4'-P-C4' energy: -34.125 flat angles P-C4'-P energy: -35.069 tors. eta vs tors. theta energy: -1.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1111.398276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.398276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.398276 (E_RNA) where: Base-Base interactions energy: -777.540 where: short stacking energy: -322.719 Base-Backbone interact. energy: -2.007 local terms energy: -331.851308 where: bonds (distance) C4'-P energy: -66.019 bonds (distance) P-C4' energy: -66.630 flat angles C4'-P-C4' energy: -71.148 flat angles P-C4'-P energy: -37.029 tors. eta vs tors. theta energy: -91.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1059.629718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.629718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.629718 (E_RNA) where: Base-Base interactions energy: -724.708 where: short stacking energy: -319.316 Base-Backbone interact. energy: -0.280 local terms energy: -334.641315 where: bonds (distance) C4'-P energy: -60.134 bonds (distance) P-C4' energy: -60.668 flat angles C4'-P-C4' energy: -71.253 flat angles P-C4'-P energy: -55.273 tors. eta vs tors. theta energy: -87.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1053.066137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.066137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.066137 (E_RNA) where: Base-Base interactions energy: -735.373 where: short stacking energy: -305.589 Base-Backbone interact. energy: -1.565 local terms energy: -316.128056 where: bonds (distance) C4'-P energy: -58.587 bonds (distance) P-C4' energy: -57.260 flat angles C4'-P-C4' energy: -69.467 flat angles P-C4'-P energy: -42.109 tors. eta vs tors. theta energy: -88.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -942.516708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.516708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.516708 (E_RNA) where: Base-Base interactions energy: -617.376 where: short stacking energy: -279.026 Base-Backbone interact. energy: -0.610 local terms energy: -324.530484 where: bonds (distance) C4'-P energy: -66.547 bonds (distance) P-C4' energy: -62.660 flat angles C4'-P-C4' energy: -58.929 flat angles P-C4'-P energy: -50.747 tors. eta vs tors. theta energy: -85.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -925.823687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.823687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.823687 (E_RNA) where: Base-Base interactions energy: -628.203 where: short stacking energy: -275.509 Base-Backbone interact. energy: -1.390 local terms energy: -296.231013 where: bonds (distance) C4'-P energy: -47.685 bonds (distance) P-C4' energy: -58.633 flat angles C4'-P-C4' energy: -60.089 flat angles P-C4'-P energy: -44.755 tors. eta vs tors. theta energy: -85.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -780.192841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.192841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.192841 (E_RNA) where: Base-Base interactions energy: -501.163 where: short stacking energy: -243.815 Base-Backbone interact. energy: -1.462 local terms energy: -277.567464 where: bonds (distance) C4'-P energy: -57.056 bonds (distance) P-C4' energy: -58.054 flat angles C4'-P-C4' energy: -56.844 flat angles P-C4'-P energy: -44.954 tors. eta vs tors. theta energy: -60.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -702.112199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.112199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.112199 (E_RNA) where: Base-Base interactions energy: -458.110 where: short stacking energy: -195.030 Base-Backbone interact. energy: -0.539 local terms energy: -243.464068 where: bonds (distance) C4'-P energy: -43.338 bonds (distance) P-C4' energy: -56.639 flat angles C4'-P-C4' energy: -61.864 flat angles P-C4'-P energy: -34.844 tors. eta vs tors. theta energy: -46.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -488.706354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.706354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.706354 (E_RNA) where: Base-Base interactions energy: -264.252 where: short stacking energy: -146.037 Base-Backbone interact. energy: 5.456 local terms energy: -229.910533 where: bonds (distance) C4'-P energy: -58.975 bonds (distance) P-C4' energy: -61.303 flat angles C4'-P-C4' energy: -59.263 flat angles P-C4'-P energy: -38.819 tors. eta vs tors. theta energy: -11.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -325.857232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.857232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.857232 (E_RNA) where: Base-Base interactions energy: -142.034 where: short stacking energy: -94.548 Base-Backbone interact. energy: -0.227 local terms energy: -183.596253 where: bonds (distance) C4'-P energy: -47.965 bonds (distance) P-C4' energy: -55.313 flat angles C4'-P-C4' energy: -50.696 flat angles P-C4'-P energy: -27.699 tors. eta vs tors. theta energy: -1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -351.778528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.778528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.778528 (E_RNA) where: Base-Base interactions energy: -174.189 where: short stacking energy: -114.795 Base-Backbone interact. energy: 1.503 local terms energy: -179.092944 where: bonds (distance) C4'-P energy: -37.537 bonds (distance) P-C4' energy: -49.091 flat angles C4'-P-C4' energy: -55.953 flat angles P-C4'-P energy: -32.903 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1143.146413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.146413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.146413 (E_RNA) where: Base-Base interactions energy: -799.375 where: short stacking energy: -340.075 Base-Backbone interact. energy: -1.192 local terms energy: -342.578894 where: bonds (distance) C4'-P energy: -54.393 bonds (distance) P-C4' energy: -73.154 flat angles C4'-P-C4' energy: -70.409 flat angles P-C4'-P energy: -49.214 tors. eta vs tors. theta energy: -95.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1071.876502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.876502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.876502 (E_RNA) where: Base-Base interactions energy: -757.179 where: short stacking energy: -309.763 Base-Backbone interact. energy: -1.700 local terms energy: -312.997612 where: bonds (distance) C4'-P energy: -54.623 bonds (distance) P-C4' energy: -63.975 flat angles C4'-P-C4' energy: -66.154 flat angles P-C4'-P energy: -45.158 tors. eta vs tors. theta energy: -83.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1041.169999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.169999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.169999 (E_RNA) where: Base-Base interactions energy: -708.320 where: short stacking energy: -309.479 Base-Backbone interact. energy: -1.068 local terms energy: -331.781346 where: bonds (distance) C4'-P energy: -56.466 bonds (distance) P-C4' energy: -63.224 flat angles C4'-P-C4' energy: -76.406 flat angles P-C4'-P energy: -43.706 tors. eta vs tors. theta energy: -91.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -974.195031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.195031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.195031 (E_RNA) where: Base-Base interactions energy: -647.821 where: short stacking energy: -273.345 Base-Backbone interact. energy: -1.588 local terms energy: -324.785674 where: bonds (distance) C4'-P energy: -60.264 bonds (distance) P-C4' energy: -57.658 flat angles C4'-P-C4' energy: -70.674 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: -94.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -963.125677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.125677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.125677 (E_RNA) where: Base-Base interactions energy: -650.001 where: short stacking energy: -292.817 Base-Backbone interact. energy: 1.795 local terms energy: -314.919539 where: bonds (distance) C4'-P energy: -60.247 bonds (distance) P-C4' energy: -57.044 flat angles C4'-P-C4' energy: -65.286 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: -85.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -801.124686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.124686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.124686 (E_RNA) where: Base-Base interactions energy: -517.126 where: short stacking energy: -246.650 Base-Backbone interact. energy: -1.560 local terms energy: -282.438483 where: bonds (distance) C4'-P energy: -53.936 bonds (distance) P-C4' energy: -61.741 flat angles C4'-P-C4' energy: -65.575 flat angles P-C4'-P energy: -41.591 tors. eta vs tors. theta energy: -59.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -721.681877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.681877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.681877 (E_RNA) where: Base-Base interactions energy: -462.184 where: short stacking energy: -225.150 Base-Backbone interact. energy: -0.390 local terms energy: -259.107468 where: bonds (distance) C4'-P energy: -43.805 bonds (distance) P-C4' energy: -58.578 flat angles C4'-P-C4' energy: -56.812 flat angles P-C4'-P energy: -38.886 tors. eta vs tors. theta energy: -61.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -463.329261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.329261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.329261 (E_RNA) where: Base-Base interactions energy: -256.283 where: short stacking energy: -130.404 Base-Backbone interact. energy: -0.259 local terms energy: -206.787701 where: bonds (distance) C4'-P energy: -50.579 bonds (distance) P-C4' energy: -50.809 flat angles C4'-P-C4' energy: -54.692 flat angles P-C4'-P energy: -33.270 tors. eta vs tors. theta energy: -17.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -355.865659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.865659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.865659 (E_RNA) where: Base-Base interactions energy: -175.180 where: short stacking energy: -92.621 Base-Backbone interact. energy: 0.914 local terms energy: -181.599637 where: bonds (distance) C4'-P energy: -54.678 bonds (distance) P-C4' energy: -55.501 flat angles C4'-P-C4' energy: -44.759 flat angles P-C4'-P energy: -29.074 tors. eta vs tors. theta energy: 2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -275.403141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.403141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.403141 (E_RNA) where: Base-Base interactions energy: -117.788 where: short stacking energy: -70.034 Base-Backbone interact. energy: 1.966 local terms energy: -159.581367 where: bonds (distance) C4'-P energy: -57.833 bonds (distance) P-C4' energy: -43.906 flat angles C4'-P-C4' energy: -36.939 flat angles P-C4'-P energy: -36.845 tors. eta vs tors. theta energy: 15.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1140.717033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.717033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.717033 (E_RNA) where: Base-Base interactions energy: -781.636 where: short stacking energy: -331.531 Base-Backbone interact. energy: -3.882 local terms energy: -355.198925 where: bonds (distance) C4'-P energy: -62.097 bonds (distance) P-C4' energy: -67.037 flat angles C4'-P-C4' energy: -77.504 flat angles P-C4'-P energy: -52.609 tors. eta vs tors. theta energy: -95.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1076.330185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.330185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.330185 (E_RNA) where: Base-Base interactions energy: -760.902 where: short stacking energy: -297.452 Base-Backbone interact. energy: -2.804 local terms energy: -312.624302 where: bonds (distance) C4'-P energy: -63.452 bonds (distance) P-C4' energy: -61.179 flat angles C4'-P-C4' energy: -71.600 flat angles P-C4'-P energy: -34.828 tors. eta vs tors. theta energy: -81.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1029.718799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.718799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.718799 (E_RNA) where: Base-Base interactions energy: -710.285 where: short stacking energy: -303.749 Base-Backbone interact. energy: 2.546 local terms energy: -321.979449 where: bonds (distance) C4'-P energy: -57.310 bonds (distance) P-C4' energy: -59.943 flat angles C4'-P-C4' energy: -78.075 flat angles P-C4'-P energy: -41.642 tors. eta vs tors. theta energy: -85.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -944.478887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.478887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.478887 (E_RNA) where: Base-Base interactions energy: -646.217 where: short stacking energy: -283.304 Base-Backbone interact. energy: 1.496 local terms energy: -299.757853 where: bonds (distance) C4'-P energy: -49.293 bonds (distance) P-C4' energy: -57.699 flat angles C4'-P-C4' energy: -65.234 flat angles P-C4'-P energy: -48.375 tors. eta vs tors. theta energy: -79.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -968.759090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.759090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.759090 (E_RNA) where: Base-Base interactions energy: -643.201 where: short stacking energy: -277.728 Base-Backbone interact. energy: -0.122 local terms energy: -325.436481 where: bonds (distance) C4'-P energy: -59.032 bonds (distance) P-C4' energy: -58.409 flat angles C4'-P-C4' energy: -64.416 flat angles P-C4'-P energy: -49.933 tors. eta vs tors. theta energy: -93.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -792.173390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.173390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.173390 (E_RNA) where: Base-Base interactions energy: -501.563 where: short stacking energy: -221.175 Base-Backbone interact. energy: -2.674 local terms energy: -287.936812 where: bonds (distance) C4'-P energy: -56.677 bonds (distance) P-C4' energy: -66.563 flat angles C4'-P-C4' energy: -69.536 flat angles P-C4'-P energy: -41.119 tors. eta vs tors. theta energy: -54.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -706.064738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.064738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.064738 (E_RNA) where: Base-Base interactions energy: -450.579 where: short stacking energy: -215.260 Base-Backbone interact. energy: -0.663 local terms energy: -254.822355 where: bonds (distance) C4'-P energy: -57.930 bonds (distance) P-C4' energy: -44.854 flat angles C4'-P-C4' energy: -57.793 flat angles P-C4'-P energy: -44.460 tors. eta vs tors. theta energy: -49.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -459.860349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.860349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.860349 (E_RNA) where: Base-Base interactions energy: -262.189 where: short stacking energy: -156.737 Base-Backbone interact. energy: -1.439 local terms energy: -196.232067 where: bonds (distance) C4'-P energy: -26.126 bonds (distance) P-C4' energy: -65.328 flat angles C4'-P-C4' energy: -50.894 flat angles P-C4'-P energy: -24.398 tors. eta vs tors. theta energy: -29.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -294.827896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.827896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.827896 (E_RNA) where: Base-Base interactions energy: -123.374 where: short stacking energy: -109.629 Base-Backbone interact. energy: -1.534 local terms energy: -169.919980 where: bonds (distance) C4'-P energy: -49.512 bonds (distance) P-C4' energy: -59.858 flat angles C4'-P-C4' energy: -45.643 flat angles P-C4'-P energy: -12.897 tors. eta vs tors. theta energy: -2.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -330.035561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.035561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.035561 (E_RNA) where: Base-Base interactions energy: -167.817 where: short stacking energy: -101.026 Base-Backbone interact. energy: 0.411 local terms energy: -162.629186 where: bonds (distance) C4'-P energy: -47.751 bonds (distance) P-C4' energy: -54.099 flat angles C4'-P-C4' energy: -37.584 flat angles P-C4'-P energy: -23.910 tors. eta vs tors. theta energy: 0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1123.161086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.161086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.161086 (E_RNA) where: Base-Base interactions energy: -792.051 where: short stacking energy: -323.138 Base-Backbone interact. energy: 1.907 local terms energy: -333.016570 where: bonds (distance) C4'-P energy: -58.068 bonds (distance) P-C4' energy: -67.198 flat angles C4'-P-C4' energy: -74.555 flat angles P-C4'-P energy: -42.545 tors. eta vs tors. theta energy: -90.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1067.066362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.066362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.066362 (E_RNA) where: Base-Base interactions energy: -741.264 where: short stacking energy: -306.880 Base-Backbone interact. energy: -0.253 local terms energy: -325.549659 where: bonds (distance) C4'-P energy: -62.456 bonds (distance) P-C4' energy: -66.323 flat angles C4'-P-C4' energy: -61.298 flat angles P-C4'-P energy: -48.355 tors. eta vs tors. theta energy: -87.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1065.426069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.426069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.426069 (E_RNA) where: Base-Base interactions energy: -740.651 where: short stacking energy: -302.885 Base-Backbone interact. energy: -2.733 local terms energy: -322.042367 where: bonds (distance) C4'-P energy: -58.450 bonds (distance) P-C4' energy: -67.512 flat angles C4'-P-C4' energy: -62.673 flat angles P-C4'-P energy: -46.787 tors. eta vs tors. theta energy: -86.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -986.080067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.080067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.080067 (E_RNA) where: Base-Base interactions energy: -658.643 where: short stacking energy: -288.888 Base-Backbone interact. energy: 0.628 local terms energy: -328.064719 where: bonds (distance) C4'-P energy: -57.929 bonds (distance) P-C4' energy: -63.265 flat angles C4'-P-C4' energy: -67.650 flat angles P-C4'-P energy: -51.021 tors. eta vs tors. theta energy: -88.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -931.244606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.244606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.244606 (E_RNA) where: Base-Base interactions energy: -633.334 where: short stacking energy: -255.347 Base-Backbone interact. energy: -2.493 local terms energy: -295.417261 where: bonds (distance) C4'-P energy: -56.219 bonds (distance) P-C4' energy: -59.238 flat angles C4'-P-C4' energy: -57.070 flat angles P-C4'-P energy: -42.116 tors. eta vs tors. theta energy: -80.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -728.104868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.104868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.104868 (E_RNA) where: Base-Base interactions energy: -451.787 where: short stacking energy: -211.383 Base-Backbone interact. energy: -1.638 local terms energy: -274.680113 where: bonds (distance) C4'-P energy: -60.764 bonds (distance) P-C4' energy: -50.395 flat angles C4'-P-C4' energy: -65.341 flat angles P-C4'-P energy: -39.108 tors. eta vs tors. theta energy: -59.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -759.346745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.346745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.346745 (E_RNA) where: Base-Base interactions energy: -502.321 where: short stacking energy: -236.300 Base-Backbone interact. energy: -1.409 local terms energy: -255.617213 where: bonds (distance) C4'-P energy: -54.583 bonds (distance) P-C4' energy: -40.184 flat angles C4'-P-C4' energy: -67.968 flat angles P-C4'-P energy: -34.413 tors. eta vs tors. theta energy: -58.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -507.440737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.440737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.440737 (E_RNA) where: Base-Base interactions energy: -280.451 where: short stacking energy: -147.900 Base-Backbone interact. energy: -0.237 local terms energy: -226.752881 where: bonds (distance) C4'-P energy: -51.439 bonds (distance) P-C4' energy: -68.051 flat angles C4'-P-C4' energy: -58.827 flat angles P-C4'-P energy: -28.205 tors. eta vs tors. theta energy: -20.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -277.837881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.837881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.837881 (E_RNA) where: Base-Base interactions energy: -106.711 where: short stacking energy: -94.896 Base-Backbone interact. energy: 3.533 local terms energy: -174.658940 where: bonds (distance) C4'-P energy: -51.858 bonds (distance) P-C4' energy: -51.643 flat angles C4'-P-C4' energy: -51.328 flat angles P-C4'-P energy: -19.309 tors. eta vs tors. theta energy: -0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -357.970418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.970418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.970418 (E_RNA) where: Base-Base interactions energy: -177.048 where: short stacking energy: -104.381 Base-Backbone interact. energy: 0.222 local terms energy: -181.145252 where: bonds (distance) C4'-P energy: -45.164 bonds (distance) P-C4' energy: -45.646 flat angles C4'-P-C4' energy: -55.908 flat angles P-C4'-P energy: -26.265 tors. eta vs tors. theta energy: -8.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1122.505823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.505823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.505823 (E_RNA) where: Base-Base interactions energy: -788.697 where: short stacking energy: -324.336 Base-Backbone interact. energy: 11.233 local terms energy: -345.041828 where: bonds (distance) C4'-P energy: -68.116 bonds (distance) P-C4' energy: -64.849 flat angles C4'-P-C4' energy: -72.104 flat angles P-C4'-P energy: -46.211 tors. eta vs tors. theta energy: -93.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1059.861760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.861760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.861760 (E_RNA) where: Base-Base interactions energy: -725.579 where: short stacking energy: -304.105 Base-Backbone interact. energy: -1.811 local terms energy: -332.471448 where: bonds (distance) C4'-P energy: -54.965 bonds (distance) P-C4' energy: -68.899 flat angles C4'-P-C4' energy: -67.700 flat angles P-C4'-P energy: -49.053 tors. eta vs tors. theta energy: -91.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1074.004315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.004315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.004315 (E_RNA) where: Base-Base interactions energy: -743.818 where: short stacking energy: -296.946 Base-Backbone interact. energy: 0.039 local terms energy: -330.225503 where: bonds (distance) C4'-P energy: -63.292 bonds (distance) P-C4' energy: -59.057 flat angles C4'-P-C4' energy: -76.108 flat angles P-C4'-P energy: -43.753 tors. eta vs tors. theta energy: -88.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1004.401666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.401666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.401666 (E_RNA) where: Base-Base interactions energy: -693.008 where: short stacking energy: -303.235 Base-Backbone interact. energy: 1.164 local terms energy: -312.558003 where: bonds (distance) C4'-P energy: -59.405 bonds (distance) P-C4' energy: -55.954 flat angles C4'-P-C4' energy: -64.825 flat angles P-C4'-P energy: -38.672 tors. eta vs tors. theta energy: -93.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -911.459846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.459846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.459846 (E_RNA) where: Base-Base interactions energy: -612.149 where: short stacking energy: -263.468 Base-Backbone interact. energy: -0.187 local terms energy: -299.124543 where: bonds (distance) C4'-P energy: -46.764 bonds (distance) P-C4' energy: -64.623 flat angles C4'-P-C4' energy: -71.837 flat angles P-C4'-P energy: -36.467 tors. eta vs tors. theta energy: -79.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -730.096207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.096207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.096207 (E_RNA) where: Base-Base interactions energy: -457.729 where: short stacking energy: -222.428 Base-Backbone interact. energy: -0.691 local terms energy: -271.675854 where: bonds (distance) C4'-P energy: -57.900 bonds (distance) P-C4' energy: -63.140 flat angles C4'-P-C4' energy: -55.502 flat angles P-C4'-P energy: -29.133 tors. eta vs tors. theta energy: -66.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -764.915522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.915522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.915522 (E_RNA) where: Base-Base interactions energy: -505.383 where: short stacking energy: -234.414 Base-Backbone interact. energy: 1.278 local terms energy: -260.810446 where: bonds (distance) C4'-P energy: -55.971 bonds (distance) P-C4' energy: -59.703 flat angles C4'-P-C4' energy: -63.414 flat angles P-C4'-P energy: -26.045 tors. eta vs tors. theta energy: -55.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -480.232217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.232217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.232217 (E_RNA) where: Base-Base interactions energy: -255.920 where: short stacking energy: -129.595 Base-Backbone interact. energy: 0.550 local terms energy: -224.862257 where: bonds (distance) C4'-P energy: -57.599 bonds (distance) P-C4' energy: -53.616 flat angles C4'-P-C4' energy: -55.687 flat angles P-C4'-P energy: -34.116 tors. eta vs tors. theta energy: -23.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -368.712889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.712889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.712889 (E_RNA) where: Base-Base interactions energy: -170.448 where: short stacking energy: -108.225 Base-Backbone interact. energy: -0.117 local terms energy: -198.147870 where: bonds (distance) C4'-P energy: -60.669 bonds (distance) P-C4' energy: -52.678 flat angles C4'-P-C4' energy: -45.625 flat angles P-C4'-P energy: -19.369 tors. eta vs tors. theta energy: -19.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -257.409741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.409741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.409741 (E_RNA) where: Base-Base interactions energy: -93.216 where: short stacking energy: -80.782 Base-Backbone interact. energy: 1.396 local terms energy: -165.589630 where: bonds (distance) C4'-P energy: -43.595 bonds (distance) P-C4' energy: -56.508 flat angles C4'-P-C4' energy: -56.103 flat angles P-C4'-P energy: -18.076 tors. eta vs tors. theta energy: 8.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1145.316623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.316623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.316623 (E_RNA) where: Base-Base interactions energy: -798.597 where: short stacking energy: -329.339 Base-Backbone interact. energy: -2.747 local terms energy: -343.973118 where: bonds (distance) C4'-P energy: -64.547 bonds (distance) P-C4' energy: -60.053 flat angles C4'-P-C4' energy: -71.583 flat angles P-C4'-P energy: -52.867 tors. eta vs tors. theta energy: -94.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1087.206429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.206429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.206429 (E_RNA) where: Base-Base interactions energy: -761.943 where: short stacking energy: -308.252 Base-Backbone interact. energy: -3.617 local terms energy: -321.646365 where: bonds (distance) C4'-P energy: -61.750 bonds (distance) P-C4' energy: -62.916 flat angles C4'-P-C4' energy: -61.702 flat angles P-C4'-P energy: -48.322 tors. eta vs tors. theta energy: -86.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1039.455752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.455752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.455752 (E_RNA) where: Base-Base interactions energy: -710.377 where: short stacking energy: -289.764 Base-Backbone interact. energy: -1.310 local terms energy: -327.769225 where: bonds (distance) C4'-P energy: -65.518 bonds (distance) P-C4' energy: -54.977 flat angles C4'-P-C4' energy: -70.910 flat angles P-C4'-P energy: -47.648 tors. eta vs tors. theta energy: -88.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -976.319149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.319149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.319149 (E_RNA) where: Base-Base interactions energy: -660.748 where: short stacking energy: -280.034 Base-Backbone interact. energy: -1.410 local terms energy: -314.161092 where: bonds (distance) C4'-P energy: -60.436 bonds (distance) P-C4' energy: -59.114 flat angles C4'-P-C4' energy: -63.468 flat angles P-C4'-P energy: -49.508 tors. eta vs tors. theta energy: -81.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -922.127336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.127336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.127336 (E_RNA) where: Base-Base interactions energy: -626.575 where: short stacking energy: -264.723 Base-Backbone interact. energy: -0.258 local terms energy: -295.294870 where: bonds (distance) C4'-P energy: -63.527 bonds (distance) P-C4' energy: -59.016 flat angles C4'-P-C4' energy: -58.888 flat angles P-C4'-P energy: -46.753 tors. eta vs tors. theta energy: -67.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -799.114728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.114728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.114728 (E_RNA) where: Base-Base interactions energy: -508.697 where: short stacking energy: -245.771 Base-Backbone interact. energy: -1.454 local terms energy: -288.964669 where: bonds (distance) C4'-P energy: -67.557 bonds (distance) P-C4' energy: -61.954 flat angles C4'-P-C4' energy: -56.262 flat angles P-C4'-P energy: -44.140 tors. eta vs tors. theta energy: -59.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -745.916890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.916890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.916890 (E_RNA) where: Base-Base interactions energy: -460.125 where: short stacking energy: -192.711 Base-Backbone interact. energy: -1.272 local terms energy: -284.519186 where: bonds (distance) C4'-P energy: -49.018 bonds (distance) P-C4' energy: -69.276 flat angles C4'-P-C4' energy: -65.352 flat angles P-C4'-P energy: -41.904 tors. eta vs tors. theta energy: -58.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -467.958176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.958176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.958176 (E_RNA) where: Base-Base interactions energy: -245.667 where: short stacking energy: -145.374 Base-Backbone interact. energy: 2.373 local terms energy: -224.664254 where: bonds (distance) C4'-P energy: -58.535 bonds (distance) P-C4' energy: -61.664 flat angles C4'-P-C4' energy: -50.794 flat angles P-C4'-P energy: -31.045 tors. eta vs tors. theta energy: -22.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -381.393743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.393743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.393743 (E_RNA) where: Base-Base interactions energy: -161.219 where: short stacking energy: -100.299 Base-Backbone interact. energy: -1.089 local terms energy: -219.085274 where: bonds (distance) C4'-P energy: -67.120 bonds (distance) P-C4' energy: -60.581 flat angles C4'-P-C4' energy: -59.310 flat angles P-C4'-P energy: -29.808 tors. eta vs tors. theta energy: -2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -267.675514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.675514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.675514 (E_RNA) where: Base-Base interactions energy: -84.578 where: short stacking energy: -73.509 Base-Backbone interact. energy: 2.240 local terms energy: -185.337233 where: bonds (distance) C4'-P energy: -55.440 bonds (distance) P-C4' energy: -53.866 flat angles C4'-P-C4' energy: -45.828 flat angles P-C4'-P energy: -33.147 tors. eta vs tors. theta energy: 2.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1150.809875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.809875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.809875 (E_RNA) where: Base-Base interactions energy: -812.755 where: short stacking energy: -332.889 Base-Backbone interact. energy: -2.931 local terms energy: -335.123780 where: bonds (distance) C4'-P energy: -75.527 bonds (distance) P-C4' energy: -50.111 flat angles C4'-P-C4' energy: -71.761 flat angles P-C4'-P energy: -43.447 tors. eta vs tors. theta energy: -94.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1101.455108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.455108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.455108 (E_RNA) where: Base-Base interactions energy: -782.985 where: short stacking energy: -309.099 Base-Backbone interact. energy: -0.907 local terms energy: -317.562892 where: bonds (distance) C4'-P energy: -55.979 bonds (distance) P-C4' energy: -61.316 flat angles C4'-P-C4' energy: -67.424 flat angles P-C4'-P energy: -48.872 tors. eta vs tors. theta energy: -83.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1065.534618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.534618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.534618 (E_RNA) where: Base-Base interactions energy: -713.784 where: short stacking energy: -305.908 Base-Backbone interact. energy: -2.094 local terms energy: -349.656373 where: bonds (distance) C4'-P energy: -59.108 bonds (distance) P-C4' energy: -66.320 flat angles C4'-P-C4' energy: -78.589 flat angles P-C4'-P energy: -52.911 tors. eta vs tors. theta energy: -92.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -956.885860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.885860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.885860 (E_RNA) where: Base-Base interactions energy: -636.758 where: short stacking energy: -297.683 Base-Backbone interact. energy: 1.874 local terms energy: -322.001735 where: bonds (distance) C4'-P energy: -61.407 bonds (distance) P-C4' energy: -57.060 flat angles C4'-P-C4' energy: -68.319 flat angles P-C4'-P energy: -45.494 tors. eta vs tors. theta energy: -89.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -924.941750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.941750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.941750 (E_RNA) where: Base-Base interactions energy: -635.225 where: short stacking energy: -262.492 Base-Backbone interact. energy: -0.552 local terms energy: -289.163996 where: bonds (distance) C4'-P energy: -57.293 bonds (distance) P-C4' energy: -49.519 flat angles C4'-P-C4' energy: -64.384 flat angles P-C4'-P energy: -41.247 tors. eta vs tors. theta energy: -76.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -846.361035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.361035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.361035 (E_RNA) where: Base-Base interactions energy: -552.675 where: short stacking energy: -255.536 Base-Backbone interact. energy: -0.723 local terms energy: -292.963546 where: bonds (distance) C4'-P energy: -48.452 bonds (distance) P-C4' energy: -62.995 flat angles C4'-P-C4' energy: -61.585 flat angles P-C4'-P energy: -43.284 tors. eta vs tors. theta energy: -76.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -688.325097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.325097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.325097 (E_RNA) where: Base-Base interactions energy: -437.829 where: short stacking energy: -185.566 Base-Backbone interact. energy: -0.619 local terms energy: -249.877121 where: bonds (distance) C4'-P energy: -52.411 bonds (distance) P-C4' energy: -58.968 flat angles C4'-P-C4' energy: -60.117 flat angles P-C4'-P energy: -31.816 tors. eta vs tors. theta energy: -46.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -520.263587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.263587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.263587 (E_RNA) where: Base-Base interactions energy: -295.008 where: short stacking energy: -147.672 Base-Backbone interact. energy: -2.062 local terms energy: -223.193370 where: bonds (distance) C4'-P energy: -51.333 bonds (distance) P-C4' energy: -63.982 flat angles C4'-P-C4' energy: -49.248 flat angles P-C4'-P energy: -42.595 tors. eta vs tors. theta energy: -16.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -400.833111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.833111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.833111 (E_RNA) where: Base-Base interactions energy: -203.384 where: short stacking energy: -123.970 Base-Backbone interact. energy: 1.765 local terms energy: -199.214257 where: bonds (distance) C4'-P energy: -58.103 bonds (distance) P-C4' energy: -53.941 flat angles C4'-P-C4' energy: -43.220 flat angles P-C4'-P energy: -27.259 tors. eta vs tors. theta energy: -16.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -285.813882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.813882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.813882 (E_RNA) where: Base-Base interactions energy: -118.217 where: short stacking energy: -85.382 Base-Backbone interact. energy: 0.858 local terms energy: -168.454594 where: bonds (distance) C4'-P energy: -45.069 bonds (distance) P-C4' energy: -50.089 flat angles C4'-P-C4' energy: -52.057 flat angles P-C4'-P energy: -23.566 tors. eta vs tors. theta energy: 2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1156.760413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.760413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.760413 (E_RNA) where: Base-Base interactions energy: -820.234 where: short stacking energy: -340.668 Base-Backbone interact. energy: -2.460 local terms energy: -334.067094 where: bonds (distance) C4'-P energy: -57.308 bonds (distance) P-C4' energy: -69.461 flat angles C4'-P-C4' energy: -67.964 flat angles P-C4'-P energy: -45.935 tors. eta vs tors. theta energy: -93.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1096.303923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.303923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.303923 (E_RNA) where: Base-Base interactions energy: -756.799 where: short stacking energy: -296.021 Base-Backbone interact. energy: -2.188 local terms energy: -337.316626 where: bonds (distance) C4'-P energy: -67.378 bonds (distance) P-C4' energy: -69.171 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -47.671 tors. eta vs tors. theta energy: -80.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1055.455767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.455767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.455767 (E_RNA) where: Base-Base interactions energy: -747.506 where: short stacking energy: -300.614 Base-Backbone interact. energy: 0.009 local terms energy: -307.958687 where: bonds (distance) C4'-P energy: -51.284 bonds (distance) P-C4' energy: -67.795 flat angles C4'-P-C4' energy: -59.154 flat angles P-C4'-P energy: -42.702 tors. eta vs tors. theta energy: -87.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -953.032137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.032137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.032137 (E_RNA) where: Base-Base interactions energy: -643.273 where: short stacking energy: -277.090 Base-Backbone interact. energy: 1.375 local terms energy: -311.134570 where: bonds (distance) C4'-P energy: -58.494 bonds (distance) P-C4' energy: -65.153 flat angles C4'-P-C4' energy: -59.149 flat angles P-C4'-P energy: -44.034 tors. eta vs tors. theta energy: -84.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -930.946146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.946146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.946146 (E_RNA) where: Base-Base interactions energy: -635.014 where: short stacking energy: -264.419 Base-Backbone interact. energy: -0.410 local terms energy: -295.521817 where: bonds (distance) C4'-P energy: -48.166 bonds (distance) P-C4' energy: -60.951 flat angles C4'-P-C4' energy: -67.724 flat angles P-C4'-P energy: -38.066 tors. eta vs tors. theta energy: -80.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -832.835425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.835425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.835425 (E_RNA) where: Base-Base interactions energy: -521.687 where: short stacking energy: -274.091 Base-Backbone interact. energy: -2.064 local terms energy: -309.084190 where: bonds (distance) C4'-P energy: -59.333 bonds (distance) P-C4' energy: -60.539 flat angles C4'-P-C4' energy: -72.542 flat angles P-C4'-P energy: -39.870 tors. eta vs tors. theta energy: -76.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -705.541947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.541947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.541947 (E_RNA) where: Base-Base interactions energy: -461.571 where: short stacking energy: -198.936 Base-Backbone interact. energy: -0.389 local terms energy: -243.581821 where: bonds (distance) C4'-P energy: -57.338 bonds (distance) P-C4' energy: -51.816 flat angles C4'-P-C4' energy: -54.346 flat angles P-C4'-P energy: -30.842 tors. eta vs tors. theta energy: -49.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -539.698980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.698980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.698980 (E_RNA) where: Base-Base interactions energy: -290.832 where: short stacking energy: -170.909 Base-Backbone interact. energy: -0.288 local terms energy: -248.578535 where: bonds (distance) C4'-P energy: -62.862 bonds (distance) P-C4' energy: -53.802 flat angles C4'-P-C4' energy: -54.585 flat angles P-C4'-P energy: -37.335 tors. eta vs tors. theta energy: -39.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -387.448509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.448509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.448509 (E_RNA) where: Base-Base interactions energy: -188.864 where: short stacking energy: -116.510 Base-Backbone interact. energy: -1.043 local terms energy: -197.541943 where: bonds (distance) C4'-P energy: -57.161 bonds (distance) P-C4' energy: -51.935 flat angles C4'-P-C4' energy: -51.793 flat angles P-C4'-P energy: -25.834 tors. eta vs tors. theta energy: -10.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -295.844593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.844593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.844593 (E_RNA) where: Base-Base interactions energy: -101.315 where: short stacking energy: -75.186 Base-Backbone interact. energy: -0.176 local terms energy: -194.353033 where: bonds (distance) C4'-P energy: -54.872 bonds (distance) P-C4' energy: -55.432 flat angles C4'-P-C4' energy: -42.469 flat angles P-C4'-P energy: -43.306 tors. eta vs tors. theta energy: 1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1124.542561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.542561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.542561 (E_RNA) where: Base-Base interactions energy: -776.888 where: short stacking energy: -325.311 Base-Backbone interact. energy: -1.735 local terms energy: -345.918803 where: bonds (distance) C4'-P energy: -68.797 bonds (distance) P-C4' energy: -55.543 flat angles C4'-P-C4' energy: -78.631 flat angles P-C4'-P energy: -48.229 tors. eta vs tors. theta energy: -94.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1122.506064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.506064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.506064 (E_RNA) where: Base-Base interactions energy: -777.931 where: short stacking energy: -316.055 Base-Backbone interact. energy: 0.531 local terms energy: -345.105975 where: bonds (distance) C4'-P energy: -60.520 bonds (distance) P-C4' energy: -66.297 flat angles C4'-P-C4' energy: -74.511 flat angles P-C4'-P energy: -51.074 tors. eta vs tors. theta energy: -92.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1058.860765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.860765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.860765 (E_RNA) where: Base-Base interactions energy: -716.922 where: short stacking energy: -285.990 Base-Backbone interact. energy: -0.914 local terms energy: -341.024781 where: bonds (distance) C4'-P energy: -62.404 bonds (distance) P-C4' energy: -70.562 flat angles C4'-P-C4' energy: -65.506 flat angles P-C4'-P energy: -47.598 tors. eta vs tors. theta energy: -94.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -959.280668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.280668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.280668 (E_RNA) where: Base-Base interactions energy: -635.600 where: short stacking energy: -276.840 Base-Backbone interact. energy: 0.710 local terms energy: -324.391567 where: bonds (distance) C4'-P energy: -59.339 bonds (distance) P-C4' energy: -60.412 flat angles C4'-P-C4' energy: -73.847 flat angles P-C4'-P energy: -49.576 tors. eta vs tors. theta energy: -81.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -924.368884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.368884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.368884 (E_RNA) where: Base-Base interactions energy: -615.681 where: short stacking energy: -255.312 Base-Backbone interact. energy: -0.195 local terms energy: -308.493220 where: bonds (distance) C4'-P energy: -64.341 bonds (distance) P-C4' energy: -56.233 flat angles C4'-P-C4' energy: -69.993 flat angles P-C4'-P energy: -42.114 tors. eta vs tors. theta energy: -75.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -777.123894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.123894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.123894 (E_RNA) where: Base-Base interactions energy: -510.425 where: short stacking energy: -229.497 Base-Backbone interact. energy: -1.183 local terms energy: -265.515053 where: bonds (distance) C4'-P energy: -54.633 bonds (distance) P-C4' energy: -50.484 flat angles C4'-P-C4' energy: -62.397 flat angles P-C4'-P energy: -39.856 tors. eta vs tors. theta energy: -58.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -752.574133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.574133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.574133 (E_RNA) where: Base-Base interactions energy: -489.916 where: short stacking energy: -220.290 Base-Backbone interact. energy: -0.855 local terms energy: -261.803078 where: bonds (distance) C4'-P energy: -46.605 bonds (distance) P-C4' energy: -59.226 flat angles C4'-P-C4' energy: -56.881 flat angles P-C4'-P energy: -47.318 tors. eta vs tors. theta energy: -51.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -482.516727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.516727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.516727 (E_RNA) where: Base-Base interactions energy: -266.519 where: short stacking energy: -146.948 Base-Backbone interact. energy: -0.429 local terms energy: -215.568297 where: bonds (distance) C4'-P energy: -49.736 bonds (distance) P-C4' energy: -55.357 flat angles C4'-P-C4' energy: -58.806 flat angles P-C4'-P energy: -25.740 tors. eta vs tors. theta energy: -25.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -405.257244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.257244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.257244 (E_RNA) where: Base-Base interactions energy: -213.888 where: short stacking energy: -116.934 Base-Backbone interact. energy: -1.385 local terms energy: -189.984110 where: bonds (distance) C4'-P energy: -46.964 bonds (distance) P-C4' energy: -60.483 flat angles C4'-P-C4' energy: -47.513 flat angles P-C4'-P energy: -29.844 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -279.807929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.807929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.807929 (E_RNA) where: Base-Base interactions energy: -100.154 where: short stacking energy: -93.762 Base-Backbone interact. energy: 3.045 local terms energy: -182.699216 where: bonds (distance) C4'-P energy: -56.664 bonds (distance) P-C4' energy: -48.430 flat angles C4'-P-C4' energy: -40.032 flat angles P-C4'-P energy: -31.511 tors. eta vs tors. theta energy: -6.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1122.648031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.648031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.648031 (E_RNA) where: Base-Base interactions energy: -774.044 where: short stacking energy: -324.347 Base-Backbone interact. energy: -0.560 local terms energy: -348.044206 where: bonds (distance) C4'-P energy: -65.545 bonds (distance) P-C4' energy: -70.825 flat angles C4'-P-C4' energy: -73.356 flat angles P-C4'-P energy: -46.397 tors. eta vs tors. theta energy: -91.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1066.680046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.680046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.680046 (E_RNA) where: Base-Base interactions energy: -741.256 where: short stacking energy: -319.010 Base-Backbone interact. energy: -3.628 local terms energy: -321.795719 where: bonds (distance) C4'-P energy: -59.745 bonds (distance) P-C4' energy: -56.429 flat angles C4'-P-C4' energy: -74.581 flat angles P-C4'-P energy: -46.077 tors. eta vs tors. theta energy: -84.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1075.949324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.949324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.949324 (E_RNA) where: Base-Base interactions energy: -749.573 where: short stacking energy: -299.529 Base-Backbone interact. energy: -2.273 local terms energy: -324.103533 where: bonds (distance) C4'-P energy: -61.667 bonds (distance) P-C4' energy: -62.378 flat angles C4'-P-C4' energy: -69.754 flat angles P-C4'-P energy: -44.118 tors. eta vs tors. theta energy: -86.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -991.088648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.088648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.088648 (E_RNA) where: Base-Base interactions energy: -662.124 where: short stacking energy: -301.330 Base-Backbone interact. energy: -1.594 local terms energy: -327.370632 where: bonds (distance) C4'-P energy: -55.706 bonds (distance) P-C4' energy: -66.763 flat angles C4'-P-C4' energy: -71.448 flat angles P-C4'-P energy: -45.307 tors. eta vs tors. theta energy: -88.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -919.687954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.687954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.687954 (E_RNA) where: Base-Base interactions energy: -613.560 where: short stacking energy: -260.023 Base-Backbone interact. energy: -1.023 local terms energy: -305.104795 where: bonds (distance) C4'-P energy: -56.573 bonds (distance) P-C4' energy: -67.274 flat angles C4'-P-C4' energy: -69.872 flat angles P-C4'-P energy: -35.790 tors. eta vs tors. theta energy: -75.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -800.184719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.184719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.184719 (E_RNA) where: Base-Base interactions energy: -501.734 where: short stacking energy: -239.121 Base-Backbone interact. energy: -1.410 local terms energy: -297.040959 where: bonds (distance) C4'-P energy: -60.205 bonds (distance) P-C4' energy: -66.580 flat angles C4'-P-C4' energy: -67.258 flat angles P-C4'-P energy: -40.171 tors. eta vs tors. theta energy: -62.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -737.138267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.138267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.138267 (E_RNA) where: Base-Base interactions energy: -487.638 where: short stacking energy: -220.367 Base-Backbone interact. energy: -0.465 local terms energy: -249.035444 where: bonds (distance) C4'-P energy: -43.626 bonds (distance) P-C4' energy: -60.257 flat angles C4'-P-C4' energy: -58.233 flat angles P-C4'-P energy: -34.253 tors. eta vs tors. theta energy: -52.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -485.416930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.416930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.416930 (E_RNA) where: Base-Base interactions energy: -263.706 where: short stacking energy: -160.198 Base-Backbone interact. energy: 3.299 local terms energy: -225.010266 where: bonds (distance) C4'-P energy: -53.882 bonds (distance) P-C4' energy: -58.053 flat angles C4'-P-C4' energy: -40.916 flat angles P-C4'-P energy: -41.570 tors. eta vs tors. theta energy: -30.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -417.181187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.181187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.181187 (E_RNA) where: Base-Base interactions energy: -207.349 where: short stacking energy: -128.815 Base-Backbone interact. energy: 5.176 local terms energy: -215.008775 where: bonds (distance) C4'-P energy: -53.343 bonds (distance) P-C4' energy: -48.447 flat angles C4'-P-C4' energy: -64.752 flat angles P-C4'-P energy: -22.809 tors. eta vs tors. theta energy: -25.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -269.016975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.016975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.016975 (E_RNA) where: Base-Base interactions energy: -92.019 where: short stacking energy: -71.306 Base-Backbone interact. energy: 1.704 local terms energy: -178.701719 where: bonds (distance) C4'-P energy: -52.983 bonds (distance) P-C4' energy: -63.836 flat angles C4'-P-C4' energy: -51.149 flat angles P-C4'-P energy: -22.603 tors. eta vs tors. theta energy: 11.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1098.836560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.836560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.836560 (E_RNA) where: Base-Base interactions energy: -752.698 where: short stacking energy: -312.480 Base-Backbone interact. energy: -1.235 local terms energy: -344.903530 where: bonds (distance) C4'-P energy: -66.926 bonds (distance) P-C4' energy: -62.827 flat angles C4'-P-C4' energy: -71.930 flat angles P-C4'-P energy: -50.119 tors. eta vs tors. theta energy: -93.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1096.434512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.434512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.434512 (E_RNA) where: Base-Base interactions energy: -764.512 where: short stacking energy: -312.179 Base-Backbone interact. energy: -1.242 local terms energy: -330.680673 where: bonds (distance) C4'-P energy: -61.579 bonds (distance) P-C4' energy: -60.504 flat angles C4'-P-C4' energy: -73.841 flat angles P-C4'-P energy: -48.492 tors. eta vs tors. theta energy: -86.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1078.933744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.933744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.933744 (E_RNA) where: Base-Base interactions energy: -758.007 where: short stacking energy: -304.529 Base-Backbone interact. energy: -2.566 local terms energy: -318.360440 where: bonds (distance) C4'-P energy: -67.123 bonds (distance) P-C4' energy: -61.620 flat angles C4'-P-C4' energy: -67.873 flat angles P-C4'-P energy: -35.945 tors. eta vs tors. theta energy: -85.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -982.727539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.727539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.727539 (E_RNA) where: Base-Base interactions energy: -655.753 where: short stacking energy: -296.824 Base-Backbone interact. energy: -2.018 local terms energy: -324.956625 where: bonds (distance) C4'-P energy: -60.154 bonds (distance) P-C4' energy: -61.363 flat angles C4'-P-C4' energy: -74.177 flat angles P-C4'-P energy: -42.021 tors. eta vs tors. theta energy: -87.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -901.785282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.785282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.785282 (E_RNA) where: Base-Base interactions energy: -590.740 where: short stacking energy: -241.013 Base-Backbone interact. energy: -1.147 local terms energy: -309.898609 where: bonds (distance) C4'-P energy: -64.596 bonds (distance) P-C4' energy: -63.381 flat angles C4'-P-C4' energy: -68.706 flat angles P-C4'-P energy: -35.804 tors. eta vs tors. theta energy: -77.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -814.040302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.040302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.040302 (E_RNA) where: Base-Base interactions energy: -539.070 where: short stacking energy: -234.368 Base-Backbone interact. energy: 0.533 local terms energy: -275.503817 where: bonds (distance) C4'-P energy: -50.047 bonds (distance) P-C4' energy: -54.298 flat angles C4'-P-C4' energy: -64.264 flat angles P-C4'-P energy: -44.715 tors. eta vs tors. theta energy: -62.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -688.057002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.057002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.057002 (E_RNA) where: Base-Base interactions energy: -463.149 where: short stacking energy: -201.024 Base-Backbone interact. energy: 2.589 local terms energy: -227.497118 where: bonds (distance) C4'-P energy: -51.127 bonds (distance) P-C4' energy: -53.246 flat angles C4'-P-C4' energy: -50.000 flat angles P-C4'-P energy: -31.957 tors. eta vs tors. theta energy: -41.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -470.211704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.211704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.211704 (E_RNA) where: Base-Base interactions energy: -256.485 where: short stacking energy: -161.703 Base-Backbone interact. energy: -1.898 local terms energy: -211.828440 where: bonds (distance) C4'-P energy: -45.982 bonds (distance) P-C4' energy: -56.285 flat angles C4'-P-C4' energy: -61.473 flat angles P-C4'-P energy: -19.529 tors. eta vs tors. theta energy: -28.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -457.313607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.313607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.313607 (E_RNA) where: Base-Base interactions energy: -231.964 where: short stacking energy: -134.907 Base-Backbone interact. energy: -0.446 local terms energy: -224.903459 where: bonds (distance) C4'-P energy: -53.606 bonds (distance) P-C4' energy: -64.699 flat angles C4'-P-C4' energy: -52.458 flat angles P-C4'-P energy: -34.166 tors. eta vs tors. theta energy: -19.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -271.121776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.121776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.121776 (E_RNA) where: Base-Base interactions energy: -120.396 where: short stacking energy: -99.868 Base-Backbone interact. energy: 0.033 local terms energy: -150.758126 where: bonds (distance) C4'-P energy: -50.126 bonds (distance) P-C4' energy: -49.211 flat angles C4'-P-C4' energy: -39.924 flat angles P-C4'-P energy: -14.154 tors. eta vs tors. theta energy: 2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1111.197462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.197462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.197462 (E_RNA) where: Base-Base interactions energy: -757.029 where: short stacking energy: -322.575 Base-Backbone interact. energy: -1.984 local terms energy: -352.184539 where: bonds (distance) C4'-P energy: -60.410 bonds (distance) P-C4' energy: -66.133 flat angles C4'-P-C4' energy: -74.080 flat angles P-C4'-P energy: -55.754 tors. eta vs tors. theta energy: -95.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1092.256399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.256399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.256399 (E_RNA) where: Base-Base interactions energy: -767.384 where: short stacking energy: -305.955 Base-Backbone interact. energy: -0.745 local terms energy: -324.127243 where: bonds (distance) C4'-P energy: -65.297 bonds (distance) P-C4' energy: -58.996 flat angles C4'-P-C4' energy: -67.212 flat angles P-C4'-P energy: -47.590 tors. eta vs tors. theta energy: -85.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1087.506828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.506828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.506828 (E_RNA) where: Base-Base interactions energy: -757.588 where: short stacking energy: -327.286 Base-Backbone interact. energy: -0.262 local terms energy: -329.657025 where: bonds (distance) C4'-P energy: -55.914 bonds (distance) P-C4' energy: -57.673 flat angles C4'-P-C4' energy: -71.063 flat angles P-C4'-P energy: -54.772 tors. eta vs tors. theta energy: -90.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -991.136725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.136725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.136725 (E_RNA) where: Base-Base interactions energy: -654.862 where: short stacking energy: -281.085 Base-Backbone interact. energy: -1.430 local terms energy: -334.844413 where: bonds (distance) C4'-P energy: -52.898 bonds (distance) P-C4' energy: -67.911 flat angles C4'-P-C4' energy: -77.154 flat angles P-C4'-P energy: -46.805 tors. eta vs tors. theta energy: -90.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -914.606119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.606119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.606119 (E_RNA) where: Base-Base interactions energy: -627.377 where: short stacking energy: -268.284 Base-Backbone interact. energy: 1.118 local terms energy: -288.347051 where: bonds (distance) C4'-P energy: -58.421 bonds (distance) P-C4' energy: -55.178 flat angles C4'-P-C4' energy: -57.526 flat angles P-C4'-P energy: -40.502 tors. eta vs tors. theta energy: -76.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -816.045582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.045582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.045582 (E_RNA) where: Base-Base interactions energy: -525.754 where: short stacking energy: -256.251 Base-Backbone interact. energy: -2.738 local terms energy: -287.553999 where: bonds (distance) C4'-P energy: -59.657 bonds (distance) P-C4' energy: -51.646 flat angles C4'-P-C4' energy: -58.078 flat angles P-C4'-P energy: -44.888 tors. eta vs tors. theta energy: -73.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -692.797447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.797447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.797447 (E_RNA) where: Base-Base interactions energy: -446.995 where: short stacking energy: -194.153 Base-Backbone interact. energy: -0.114 local terms energy: -245.688917 where: bonds (distance) C4'-P energy: -53.689 bonds (distance) P-C4' energy: -57.747 flat angles C4'-P-C4' energy: -51.150 flat angles P-C4'-P energy: -42.556 tors. eta vs tors. theta energy: -40.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -538.651261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.651261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.651261 (E_RNA) where: Base-Base interactions energy: -308.407 where: short stacking energy: -154.296 Base-Backbone interact. energy: -1.665 local terms energy: -228.579456 where: bonds (distance) C4'-P energy: -59.883 bonds (distance) P-C4' energy: -55.650 flat angles C4'-P-C4' energy: -53.759 flat angles P-C4'-P energy: -42.036 tors. eta vs tors. theta energy: -17.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -425.675257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.675257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.675257 (E_RNA) where: Base-Base interactions energy: -217.541 where: short stacking energy: -128.339 Base-Backbone interact. energy: -1.068 local terms energy: -207.065476 where: bonds (distance) C4'-P energy: -56.970 bonds (distance) P-C4' energy: -68.369 flat angles C4'-P-C4' energy: -48.848 flat angles P-C4'-P energy: -28.528 tors. eta vs tors. theta energy: -4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -287.861985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.861985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.861985 (E_RNA) where: Base-Base interactions energy: -105.613 where: short stacking energy: -98.917 Base-Backbone interact. energy: -0.882 local terms energy: -181.367256 where: bonds (distance) C4'-P energy: -56.667 bonds (distance) P-C4' energy: -55.035 flat angles C4'-P-C4' energy: -40.263 flat angles P-C4'-P energy: -31.277 tors. eta vs tors. theta energy: 1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1097.697177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.697177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.697177 (E_RNA) where: Base-Base interactions energy: -768.096 where: short stacking energy: -309.802 Base-Backbone interact. energy: 0.364 local terms energy: -329.964921 where: bonds (distance) C4'-P energy: -61.899 bonds (distance) P-C4' energy: -65.021 flat angles C4'-P-C4' energy: -67.283 flat angles P-C4'-P energy: -49.162 tors. eta vs tors. theta energy: -86.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1070.094622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.094622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.094622 (E_RNA) where: Base-Base interactions energy: -739.594 where: short stacking energy: -285.834 Base-Backbone interact. energy: -3.186 local terms energy: -327.313837 where: bonds (distance) C4'-P energy: -55.178 bonds (distance) P-C4' energy: -64.555 flat angles C4'-P-C4' energy: -72.155 flat angles P-C4'-P energy: -53.741 tors. eta vs tors. theta energy: -81.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1056.722209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.722209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.722209 (E_RNA) where: Base-Base interactions energy: -714.885 where: short stacking energy: -293.245 Base-Backbone interact. energy: -1.477 local terms energy: -340.359754 where: bonds (distance) C4'-P energy: -64.850 bonds (distance) P-C4' energy: -68.551 flat angles C4'-P-C4' energy: -60.358 flat angles P-C4'-P energy: -55.254 tors. eta vs tors. theta energy: -91.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -979.572290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.572290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.572290 (E_RNA) where: Base-Base interactions energy: -666.585 where: short stacking energy: -291.386 Base-Backbone interact. energy: -1.220 local terms energy: -311.767454 where: bonds (distance) C4'-P energy: -55.962 bonds (distance) P-C4' energy: -62.985 flat angles C4'-P-C4' energy: -72.241 flat angles P-C4'-P energy: -39.087 tors. eta vs tors. theta energy: -81.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -894.201936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.201936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.201936 (E_RNA) where: Base-Base interactions energy: -602.385 where: short stacking energy: -246.371 Base-Backbone interact. energy: -0.276 local terms energy: -291.541414 where: bonds (distance) C4'-P energy: -54.619 bonds (distance) P-C4' energy: -60.259 flat angles C4'-P-C4' energy: -62.376 flat angles P-C4'-P energy: -48.071 tors. eta vs tors. theta energy: -66.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -785.489907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.489907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.489907 (E_RNA) where: Base-Base interactions energy: -521.816 where: short stacking energy: -215.515 Base-Backbone interact. energy: -2.352 local terms energy: -261.322007 where: bonds (distance) C4'-P energy: -50.374 bonds (distance) P-C4' energy: -66.299 flat angles C4'-P-C4' energy: -51.513 flat angles P-C4'-P energy: -38.656 tors. eta vs tors. theta energy: -54.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -697.538068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.538068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.538068 (E_RNA) where: Base-Base interactions energy: -447.056 where: short stacking energy: -219.548 Base-Backbone interact. energy: 2.942 local terms energy: -253.423846 where: bonds (distance) C4'-P energy: -60.138 bonds (distance) P-C4' energy: -58.860 flat angles C4'-P-C4' energy: -55.013 flat angles P-C4'-P energy: -29.674 tors. eta vs tors. theta energy: -49.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -459.656102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.656102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.656102 (E_RNA) where: Base-Base interactions energy: -270.648 where: short stacking energy: -124.559 Base-Backbone interact. energy: -0.744 local terms energy: -188.264063 where: bonds (distance) C4'-P energy: -50.193 bonds (distance) P-C4' energy: -56.025 flat angles C4'-P-C4' energy: -44.908 flat angles P-C4'-P energy: -28.951 tors. eta vs tors. theta energy: -8.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -448.324725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.324725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.324725 (E_RNA) where: Base-Base interactions energy: -238.234 where: short stacking energy: -147.159 Base-Backbone interact. energy: 0.041 local terms energy: -210.131521 where: bonds (distance) C4'-P energy: -40.602 bonds (distance) P-C4' energy: -65.767 flat angles C4'-P-C4' energy: -45.113 flat angles P-C4'-P energy: -26.745 tors. eta vs tors. theta energy: -31.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -313.177182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.177182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.177182 (E_RNA) where: Base-Base interactions energy: -130.791 where: short stacking energy: -81.146 Base-Backbone interact. energy: -0.073 local terms energy: -182.314013 where: bonds (distance) C4'-P energy: -57.235 bonds (distance) P-C4' energy: -56.317 flat angles C4'-P-C4' energy: -39.968 flat angles P-C4'-P energy: -28.097 tors. eta vs tors. theta energy: -0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1109.094494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.094494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.094494 (E_RNA) where: Base-Base interactions energy: -777.518 where: short stacking energy: -321.247 Base-Backbone interact. energy: -2.632 local terms energy: -328.945018 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -56.566 flat angles C4'-P-C4' energy: -76.071 flat angles P-C4'-P energy: -41.398 tors. eta vs tors. theta energy: -93.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1097.291536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.291536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.291536 (E_RNA) where: Base-Base interactions energy: -763.231 where: short stacking energy: -308.710 Base-Backbone interact. energy: -2.408 local terms energy: -331.651986 where: bonds (distance) C4'-P energy: -59.975 bonds (distance) P-C4' energy: -63.840 flat angles C4'-P-C4' energy: -75.242 flat angles P-C4'-P energy: -49.873 tors. eta vs tors. theta energy: -82.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1069.369046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.369046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.369046 (E_RNA) where: Base-Base interactions energy: -740.299 where: short stacking energy: -305.668 Base-Backbone interact. energy: -2.457 local terms energy: -326.612434 where: bonds (distance) C4'-P energy: -58.429 bonds (distance) P-C4' energy: -67.884 flat angles C4'-P-C4' energy: -64.955 flat angles P-C4'-P energy: -46.730 tors. eta vs tors. theta energy: -88.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -952.770108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.770108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.770108 (E_RNA) where: Base-Base interactions energy: -649.412 where: short stacking energy: -300.295 Base-Backbone interact. energy: 1.582 local terms energy: -304.940112 where: bonds (distance) C4'-P energy: -57.880 bonds (distance) P-C4' energy: -58.373 flat angles C4'-P-C4' energy: -61.323 flat angles P-C4'-P energy: -43.270 tors. eta vs tors. theta energy: -84.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -897.252567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.252567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.252567 (E_RNA) where: Base-Base interactions energy: -609.383 where: short stacking energy: -245.165 Base-Backbone interact. energy: -1.660 local terms energy: -286.209879 where: bonds (distance) C4'-P energy: -60.276 bonds (distance) P-C4' energy: -58.148 flat angles C4'-P-C4' energy: -64.877 flat angles P-C4'-P energy: -36.919 tors. eta vs tors. theta energy: -65.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -799.607936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.607936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.607936 (E_RNA) where: Base-Base interactions energy: -538.359 where: short stacking energy: -255.912 Base-Backbone interact. energy: -0.392 local terms energy: -260.857545 where: bonds (distance) C4'-P energy: -43.214 bonds (distance) P-C4' energy: -47.967 flat angles C4'-P-C4' energy: -63.709 flat angles P-C4'-P energy: -39.100 tors. eta vs tors. theta energy: -66.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -714.598631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.598631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.598631 (E_RNA) where: Base-Base interactions energy: -454.049 where: short stacking energy: -194.422 Base-Backbone interact. energy: -1.575 local terms energy: -258.975320 where: bonds (distance) C4'-P energy: -60.396 bonds (distance) P-C4' energy: -45.356 flat angles C4'-P-C4' energy: -57.997 flat angles P-C4'-P energy: -41.649 tors. eta vs tors. theta energy: -53.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -465.165060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.165060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.165060 (E_RNA) where: Base-Base interactions energy: -262.398 where: short stacking energy: -145.090 Base-Backbone interact. energy: 3.340 local terms energy: -206.107223 where: bonds (distance) C4'-P energy: -46.179 bonds (distance) P-C4' energy: -62.114 flat angles C4'-P-C4' energy: -44.916 flat angles P-C4'-P energy: -31.413 tors. eta vs tors. theta energy: -21.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -456.981805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.981805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.981805 (E_RNA) where: Base-Base interactions energy: -234.787 where: short stacking energy: -155.398 Base-Backbone interact. energy: -1.497 local terms energy: -220.697740 where: bonds (distance) C4'-P energy: -56.421 bonds (distance) P-C4' energy: -55.892 flat angles C4'-P-C4' energy: -54.967 flat angles P-C4'-P energy: -30.726 tors. eta vs tors. theta energy: -22.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -260.407544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.407544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.407544 (E_RNA) where: Base-Base interactions energy: -100.666 where: short stacking energy: -76.156 Base-Backbone interact. energy: -1.091 local terms energy: -158.650382 where: bonds (distance) C4'-P energy: -60.155 bonds (distance) P-C4' energy: -62.291 flat angles C4'-P-C4' energy: -40.994 flat angles P-C4'-P energy: -10.935 tors. eta vs tors. theta energy: 15.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1096.240747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.240747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.240747 (E_RNA) where: Base-Base interactions energy: -775.410 where: short stacking energy: -312.494 Base-Backbone interact. energy: -1.641 local terms energy: -319.189421 where: bonds (distance) C4'-P energy: -60.729 bonds (distance) P-C4' energy: -60.375 flat angles C4'-P-C4' energy: -67.813 flat angles P-C4'-P energy: -42.910 tors. eta vs tors. theta energy: -87.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1068.082918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.082918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.082918 (E_RNA) where: Base-Base interactions energy: -738.882 where: short stacking energy: -313.071 Base-Backbone interact. energy: 1.568 local terms energy: -330.769403 where: bonds (distance) C4'-P energy: -69.066 bonds (distance) P-C4' energy: -61.439 flat angles C4'-P-C4' energy: -65.810 flat angles P-C4'-P energy: -45.806 tors. eta vs tors. theta energy: -88.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1057.947631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.947631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.947631 (E_RNA) where: Base-Base interactions energy: -716.699 where: short stacking energy: -292.940 Base-Backbone interact. energy: -4.079 local terms energy: -337.170363 where: bonds (distance) C4'-P energy: -64.829 bonds (distance) P-C4' energy: -63.993 flat angles C4'-P-C4' energy: -69.043 flat angles P-C4'-P energy: -46.789 tors. eta vs tors. theta energy: -92.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -953.175499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.175499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.175499 (E_RNA) where: Base-Base interactions energy: -634.436 where: short stacking energy: -279.642 Base-Backbone interact. energy: -0.932 local terms energy: -317.807427 where: bonds (distance) C4'-P energy: -61.365 bonds (distance) P-C4' energy: -68.067 flat angles C4'-P-C4' energy: -65.150 flat angles P-C4'-P energy: -36.244 tors. eta vs tors. theta energy: -86.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -832.951627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.951627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.951627 (E_RNA) where: Base-Base interactions energy: -541.391 where: short stacking energy: -249.616 Base-Backbone interact. energy: 0.160 local terms energy: -291.720373 where: bonds (distance) C4'-P energy: -47.235 bonds (distance) P-C4' energy: -62.673 flat angles C4'-P-C4' energy: -65.734 flat angles P-C4'-P energy: -46.669 tors. eta vs tors. theta energy: -69.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -882.187435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.187435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.187435 (E_RNA) where: Base-Base interactions energy: -612.638 where: short stacking energy: -254.981 Base-Backbone interact. energy: -0.420 local terms energy: -269.130051 where: bonds (distance) C4'-P energy: -43.828 bonds (distance) P-C4' energy: -56.808 flat angles C4'-P-C4' energy: -61.245 flat angles P-C4'-P energy: -36.985 tors. eta vs tors. theta energy: -70.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -695.053909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.053909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.053909 (E_RNA) where: Base-Base interactions energy: -437.503 where: short stacking energy: -210.849 Base-Backbone interact. energy: -1.704 local terms energy: -255.846863 where: bonds (distance) C4'-P energy: -59.923 bonds (distance) P-C4' energy: -54.139 flat angles C4'-P-C4' energy: -44.461 flat angles P-C4'-P energy: -36.451 tors. eta vs tors. theta energy: -60.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -457.834588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.834588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.834588 (E_RNA) where: Base-Base interactions energy: -237.428 where: short stacking energy: -109.094 Base-Backbone interact. energy: 1.981 local terms energy: -222.387541 where: bonds (distance) C4'-P energy: -61.731 bonds (distance) P-C4' energy: -56.901 flat angles C4'-P-C4' energy: -57.636 flat angles P-C4'-P energy: -32.929 tors. eta vs tors. theta energy: -13.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -451.664661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.664661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.664661 (E_RNA) where: Base-Base interactions energy: -250.956 where: short stacking energy: -149.303 Base-Backbone interact. energy: 1.578 local terms energy: -202.286663 where: bonds (distance) C4'-P energy: -39.353 bonds (distance) P-C4' energy: -51.470 flat angles C4'-P-C4' energy: -44.811 flat angles P-C4'-P energy: -34.730 tors. eta vs tors. theta energy: -31.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -285.258770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.258770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.258770 (E_RNA) where: Base-Base interactions energy: -119.099 where: short stacking energy: -83.710 Base-Backbone interact. energy: 2.920 local terms energy: -169.079647 where: bonds (distance) C4'-P energy: -61.085 bonds (distance) P-C4' energy: -45.583 flat angles C4'-P-C4' energy: -39.758 flat angles P-C4'-P energy: -30.347 tors. eta vs tors. theta energy: 7.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1125.980514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.980514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.980514 (E_RNA) where: Base-Base interactions energy: -788.816 where: short stacking energy: -318.316 Base-Backbone interact. energy: -0.944 local terms energy: -336.220355 where: bonds (distance) C4'-P energy: -67.370 bonds (distance) P-C4' energy: -66.664 flat angles C4'-P-C4' energy: -69.238 flat angles P-C4'-P energy: -44.739 tors. eta vs tors. theta energy: -88.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1090.582450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.582450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.582450 (E_RNA) where: Base-Base interactions energy: -748.304 where: short stacking energy: -316.273 Base-Backbone interact. energy: -2.305 local terms energy: -339.973622 where: bonds (distance) C4'-P energy: -56.037 bonds (distance) P-C4' energy: -56.800 flat angles C4'-P-C4' energy: -79.549 flat angles P-C4'-P energy: -52.501 tors. eta vs tors. theta energy: -95.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1084.277649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.277649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.277649 (E_RNA) where: Base-Base interactions energy: -747.365 where: short stacking energy: -314.949 Base-Backbone interact. energy: 1.768 local terms energy: -338.680295 where: bonds (distance) C4'-P energy: -65.683 bonds (distance) P-C4' energy: -72.317 flat angles C4'-P-C4' energy: -73.352 flat angles P-C4'-P energy: -38.293 tors. eta vs tors. theta energy: -89.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -958.825754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.825754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.825754 (E_RNA) where: Base-Base interactions energy: -637.694 where: short stacking energy: -285.364 Base-Backbone interact. energy: 0.647 local terms energy: -321.778790 where: bonds (distance) C4'-P energy: -63.000 bonds (distance) P-C4' energy: -64.004 flat angles C4'-P-C4' energy: -65.929 flat angles P-C4'-P energy: -35.501 tors. eta vs tors. theta energy: -93.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -822.902378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.902378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.902378 (E_RNA) where: Base-Base interactions energy: -523.199 where: short stacking energy: -245.641 Base-Backbone interact. energy: -1.863 local terms energy: -297.840336 where: bonds (distance) C4'-P energy: -65.656 bonds (distance) P-C4' energy: -63.113 flat angles C4'-P-C4' energy: -60.659 flat angles P-C4'-P energy: -50.903 tors. eta vs tors. theta energy: -57.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -897.199714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.199714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.199714 (E_RNA) where: Base-Base interactions energy: -612.036 where: short stacking energy: -260.451 Base-Backbone interact. energy: -1.334 local terms energy: -283.829408 where: bonds (distance) C4'-P energy: -56.300 bonds (distance) P-C4' energy: -51.686 flat angles C4'-P-C4' energy: -66.843 flat angles P-C4'-P energy: -35.686 tors. eta vs tors. theta energy: -73.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -708.025309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.025309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.025309 (E_RNA) where: Base-Base interactions energy: -449.097 where: short stacking energy: -204.572 Base-Backbone interact. energy: -2.224 local terms energy: -256.703968 where: bonds (distance) C4'-P energy: -48.638 bonds (distance) P-C4' energy: -64.848 flat angles C4'-P-C4' energy: -56.289 flat angles P-C4'-P energy: -38.754 tors. eta vs tors. theta energy: -48.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -471.979235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.979235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.979235 (E_RNA) where: Base-Base interactions energy: -253.603 where: short stacking energy: -153.857 Base-Backbone interact. energy: -0.893 local terms energy: -217.483625 where: bonds (distance) C4'-P energy: -60.863 bonds (distance) P-C4' energy: -64.140 flat angles C4'-P-C4' energy: -44.033 flat angles P-C4'-P energy: -27.355 tors. eta vs tors. theta energy: -21.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -440.002128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.002128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.002128 (E_RNA) where: Base-Base interactions energy: -237.291 where: short stacking energy: -129.236 Base-Backbone interact. energy: -0.207 local terms energy: -202.503340 where: bonds (distance) C4'-P energy: -52.016 bonds (distance) P-C4' energy: -54.913 flat angles C4'-P-C4' energy: -55.491 flat angles P-C4'-P energy: -31.861 tors. eta vs tors. theta energy: -8.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -293.081717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.081717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.081717 (E_RNA) where: Base-Base interactions energy: -111.096 where: short stacking energy: -94.088 Base-Backbone interact. energy: 2.252 local terms energy: -184.237013 where: bonds (distance) C4'-P energy: -45.047 bonds (distance) P-C4' energy: -48.564 flat angles C4'-P-C4' energy: -52.922 flat angles P-C4'-P energy: -37.565 tors. eta vs tors. theta energy: -0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1135.793957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.793957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.793957 (E_RNA) where: Base-Base interactions energy: -803.198 where: short stacking energy: -321.836 Base-Backbone interact. energy: -0.896 local terms energy: -331.700502 where: bonds (distance) C4'-P energy: -57.325 bonds (distance) P-C4' energy: -60.347 flat angles C4'-P-C4' energy: -72.975 flat angles P-C4'-P energy: -50.536 tors. eta vs tors. theta energy: -90.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1095.485960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.485960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.485960 (E_RNA) where: Base-Base interactions energy: -761.179 where: short stacking energy: -311.761 Base-Backbone interact. energy: -2.695 local terms energy: -331.611618 where: bonds (distance) C4'-P energy: -62.995 bonds (distance) P-C4' energy: -60.981 flat angles C4'-P-C4' energy: -71.488 flat angles P-C4'-P energy: -42.000 tors. eta vs tors. theta energy: -94.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1037.260433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.260433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.260433 (E_RNA) where: Base-Base interactions energy: -727.521 where: short stacking energy: -322.322 Base-Backbone interact. energy: -2.689 local terms energy: -307.051191 where: bonds (distance) C4'-P energy: -46.879 bonds (distance) P-C4' energy: -67.553 flat angles C4'-P-C4' energy: -73.304 flat angles P-C4'-P energy: -35.573 tors. eta vs tors. theta energy: -83.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -939.033695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.033695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.033695 (E_RNA) where: Base-Base interactions energy: -635.683 where: short stacking energy: -273.935 Base-Backbone interact. energy: -1.438 local terms energy: -301.913031 where: bonds (distance) C4'-P energy: -61.403 bonds (distance) P-C4' energy: -57.819 flat angles C4'-P-C4' energy: -56.514 flat angles P-C4'-P energy: -41.973 tors. eta vs tors. theta energy: -84.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -928.206923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.206923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.206923 (E_RNA) where: Base-Base interactions energy: -622.299 where: short stacking energy: -266.094 Base-Backbone interact. energy: -1.697 local terms energy: -304.211211 where: bonds (distance) C4'-P energy: -52.253 bonds (distance) P-C4' energy: -67.346 flat angles C4'-P-C4' energy: -73.511 flat angles P-C4'-P energy: -33.254 tors. eta vs tors. theta energy: -77.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -799.068589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.068589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.068589 (E_RNA) where: Base-Base interactions energy: -522.880 where: short stacking energy: -236.289 Base-Backbone interact. energy: -1.588 local terms energy: -274.600321 where: bonds (distance) C4'-P energy: -59.543 bonds (distance) P-C4' energy: -57.811 flat angles C4'-P-C4' energy: -58.802 flat angles P-C4'-P energy: -38.392 tors. eta vs tors. theta energy: -60.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -733.932096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.932096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.932096 (E_RNA) where: Base-Base interactions energy: -459.470 where: short stacking energy: -211.301 Base-Backbone interact. energy: -2.470 local terms energy: -271.992899 where: bonds (distance) C4'-P energy: -57.141 bonds (distance) P-C4' energy: -59.536 flat angles C4'-P-C4' energy: -61.481 flat angles P-C4'-P energy: -39.656 tors. eta vs tors. theta energy: -54.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -457.913990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.913990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.913990 (E_RNA) where: Base-Base interactions energy: -242.298 where: short stacking energy: -131.306 Base-Backbone interact. energy: 0.946 local terms energy: -216.561984 where: bonds (distance) C4'-P energy: -57.255 bonds (distance) P-C4' energy: -54.689 flat angles C4'-P-C4' energy: -61.951 flat angles P-C4'-P energy: -26.900 tors. eta vs tors. theta energy: -15.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -450.478418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.478418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.478418 (E_RNA) where: Base-Base interactions energy: -232.192 where: short stacking energy: -127.534 Base-Backbone interact. energy: -1.226 local terms energy: -217.060580 where: bonds (distance) C4'-P energy: -51.984 bonds (distance) P-C4' energy: -60.549 flat angles C4'-P-C4' energy: -53.318 flat angles P-C4'-P energy: -34.267 tors. eta vs tors. theta energy: -16.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -291.793302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.793302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.793302 (E_RNA) where: Base-Base interactions energy: -134.483 where: short stacking energy: -65.405 Base-Backbone interact. energy: -0.748 local terms energy: -156.561724 where: bonds (distance) C4'-P energy: -40.696 bonds (distance) P-C4' energy: -53.639 flat angles C4'-P-C4' energy: -44.569 flat angles P-C4'-P energy: -27.981 tors. eta vs tors. theta energy: 10.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1107.502800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.502800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.502800 (E_RNA) where: Base-Base interactions energy: -773.060 where: short stacking energy: -304.493 Base-Backbone interact. energy: -3.330 local terms energy: -331.112505 where: bonds (distance) C4'-P energy: -65.785 bonds (distance) P-C4' energy: -68.932 flat angles C4'-P-C4' energy: -63.224 flat angles P-C4'-P energy: -50.039 tors. eta vs tors. theta energy: -83.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1098.053085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.053085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.053085 (E_RNA) where: Base-Base interactions energy: -770.164 where: short stacking energy: -315.141 Base-Backbone interact. energy: -0.979 local terms energy: -326.910132 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -55.484 flat angles C4'-P-C4' energy: -74.961 flat angles P-C4'-P energy: -43.915 tors. eta vs tors. theta energy: -88.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1043.645386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.645386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.645386 (E_RNA) where: Base-Base interactions energy: -709.567 where: short stacking energy: -305.063 Base-Backbone interact. energy: 2.633 local terms energy: -336.711276 where: bonds (distance) C4'-P energy: -51.673 bonds (distance) P-C4' energy: -65.196 flat angles C4'-P-C4' energy: -69.526 flat angles P-C4'-P energy: -53.847 tors. eta vs tors. theta energy: -96.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -944.183067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.183067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.183067 (E_RNA) where: Base-Base interactions energy: -655.193 where: short stacking energy: -279.388 Base-Backbone interact. energy: 0.057 local terms energy: -289.046851 where: bonds (distance) C4'-P energy: -52.743 bonds (distance) P-C4' energy: -64.818 flat angles C4'-P-C4' energy: -52.336 flat angles P-C4'-P energy: -39.887 tors. eta vs tors. theta energy: -79.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -893.971899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.971899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.971899 (E_RNA) where: Base-Base interactions energy: -596.515 where: short stacking energy: -257.647 Base-Backbone interact. energy: -0.431 local terms energy: -297.026082 where: bonds (distance) C4'-P energy: -55.324 bonds (distance) P-C4' energy: -61.655 flat angles C4'-P-C4' energy: -64.861 flat angles P-C4'-P energy: -34.486 tors. eta vs tors. theta energy: -80.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -824.360260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.360260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.360260 (E_RNA) where: Base-Base interactions energy: -520.079 where: short stacking energy: -238.923 Base-Backbone interact. energy: -1.527 local terms energy: -302.753839 where: bonds (distance) C4'-P energy: -65.627 bonds (distance) P-C4' energy: -57.011 flat angles C4'-P-C4' energy: -65.881 flat angles P-C4'-P energy: -48.270 tors. eta vs tors. theta energy: -65.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -768.383712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.383712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.383712 (E_RNA) where: Base-Base interactions energy: -496.884 where: short stacking energy: -216.894 Base-Backbone interact. energy: -0.610 local terms energy: -270.889494 where: bonds (distance) C4'-P energy: -56.673 bonds (distance) P-C4' energy: -57.130 flat angles C4'-P-C4' energy: -62.199 flat angles P-C4'-P energy: -39.240 tors. eta vs tors. theta energy: -55.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -478.691815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.691815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.691815 (E_RNA) where: Base-Base interactions energy: -262.195 where: short stacking energy: -128.089 Base-Backbone interact. energy: -0.536 local terms energy: -215.961015 where: bonds (distance) C4'-P energy: -53.067 bonds (distance) P-C4' energy: -55.998 flat angles C4'-P-C4' energy: -57.436 flat angles P-C4'-P energy: -31.853 tors. eta vs tors. theta energy: -17.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -441.568373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.568373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.568373 (E_RNA) where: Base-Base interactions energy: -225.665 where: short stacking energy: -133.679 Base-Backbone interact. energy: -1.197 local terms energy: -214.705803 where: bonds (distance) C4'-P energy: -53.475 bonds (distance) P-C4' energy: -67.752 flat angles C4'-P-C4' energy: -47.213 flat angles P-C4'-P energy: -28.300 tors. eta vs tors. theta energy: -17.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -287.390337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.390337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.390337 (E_RNA) where: Base-Base interactions energy: -104.400 where: short stacking energy: -81.813 Base-Backbone interact. energy: 3.796 local terms energy: -186.786044 where: bonds (distance) C4'-P energy: -62.119 bonds (distance) P-C4' energy: -66.732 flat angles C4'-P-C4' energy: -41.584 flat angles P-C4'-P energy: -26.091 tors. eta vs tors. theta energy: 9.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1135.252330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.252330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.252330 (E_RNA) where: Base-Base interactions energy: -785.310 where: short stacking energy: -331.125 Base-Backbone interact. energy: 0.489 local terms energy: -350.431517 where: bonds (distance) C4'-P energy: -62.406 bonds (distance) P-C4' energy: -69.000 flat angles C4'-P-C4' energy: -71.107 flat angles P-C4'-P energy: -54.168 tors. eta vs tors. theta energy: -93.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1109.386925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.386925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.386925 (E_RNA) where: Base-Base interactions energy: -775.637 where: short stacking energy: -305.833 Base-Backbone interact. energy: -2.295 local terms energy: -331.454878 where: bonds (distance) C4'-P energy: -64.410 bonds (distance) P-C4' energy: -61.568 flat angles C4'-P-C4' energy: -74.735 flat angles P-C4'-P energy: -44.702 tors. eta vs tors. theta energy: -86.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1035.111110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.111110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.111110 (E_RNA) where: Base-Base interactions energy: -704.951 where: short stacking energy: -286.751 Base-Backbone interact. energy: -0.498 local terms energy: -329.662641 where: bonds (distance) C4'-P energy: -63.696 bonds (distance) P-C4' energy: -70.462 flat angles C4'-P-C4' energy: -68.411 flat angles P-C4'-P energy: -41.188 tors. eta vs tors. theta energy: -85.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -956.578438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.578438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.578438 (E_RNA) where: Base-Base interactions energy: -648.063 where: short stacking energy: -275.646 Base-Backbone interact. energy: -1.502 local terms energy: -307.013513 where: bonds (distance) C4'-P energy: -44.600 bonds (distance) P-C4' energy: -62.666 flat angles C4'-P-C4' energy: -66.533 flat angles P-C4'-P energy: -44.691 tors. eta vs tors. theta energy: -88.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -905.219988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.219988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.219988 (E_RNA) where: Base-Base interactions energy: -592.388 where: short stacking energy: -249.730 Base-Backbone interact. energy: -2.356 local terms energy: -310.476341 where: bonds (distance) C4'-P energy: -53.179 bonds (distance) P-C4' energy: -64.021 flat angles C4'-P-C4' energy: -71.184 flat angles P-C4'-P energy: -42.471 tors. eta vs tors. theta energy: -79.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -809.577008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.577008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.577008 (E_RNA) where: Base-Base interactions energy: -518.718 where: short stacking energy: -243.963 Base-Backbone interact. energy: 1.788 local terms energy: -292.646270 where: bonds (distance) C4'-P energy: -54.239 bonds (distance) P-C4' energy: -61.881 flat angles C4'-P-C4' energy: -63.451 flat angles P-C4'-P energy: -45.172 tors. eta vs tors. theta energy: -67.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -745.064686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.064686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.064686 (E_RNA) where: Base-Base interactions energy: -491.645 where: short stacking energy: -229.368 Base-Backbone interact. energy: -0.771 local terms energy: -252.648887 where: bonds (distance) C4'-P energy: -52.883 bonds (distance) P-C4' energy: -55.412 flat angles C4'-P-C4' energy: -58.102 flat angles P-C4'-P energy: -33.422 tors. eta vs tors. theta energy: -52.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -510.789362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.789362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.789362 (E_RNA) where: Base-Base interactions energy: -287.752 where: short stacking energy: -159.019 Base-Backbone interact. energy: -1.210 local terms energy: -221.827164 where: bonds (distance) C4'-P energy: -56.225 bonds (distance) P-C4' energy: -60.950 flat angles C4'-P-C4' energy: -51.935 flat angles P-C4'-P energy: -33.717 tors. eta vs tors. theta energy: -19.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -428.963472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.963472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.963472 (E_RNA) where: Base-Base interactions energy: -222.645 where: short stacking energy: -127.982 Base-Backbone interact. energy: 1.011 local terms energy: -207.328907 where: bonds (distance) C4'-P energy: -56.280 bonds (distance) P-C4' energy: -59.051 flat angles C4'-P-C4' energy: -57.386 flat angles P-C4'-P energy: -26.465 tors. eta vs tors. theta energy: -8.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -324.570167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.570167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.570167 (E_RNA) where: Base-Base interactions energy: -147.182 where: short stacking energy: -92.381 Base-Backbone interact. energy: 2.713 local terms energy: -180.101402 where: bonds (distance) C4'-P energy: -43.268 bonds (distance) P-C4' energy: -59.626 flat angles C4'-P-C4' energy: -44.327 flat angles P-C4'-P energy: -36.041 tors. eta vs tors. theta energy: 3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1131.006974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.006974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.006974 (E_RNA) where: Base-Base interactions energy: -788.249 where: short stacking energy: -328.050 Base-Backbone interact. energy: -2.709 local terms energy: -340.048755 where: bonds (distance) C4'-P energy: -62.038 bonds (distance) P-C4' energy: -57.240 flat angles C4'-P-C4' energy: -72.990 flat angles P-C4'-P energy: -44.742 tors. eta vs tors. theta energy: -103.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1091.212174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.212174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.212174 (E_RNA) where: Base-Base interactions energy: -763.629 where: short stacking energy: -302.074 Base-Backbone interact. energy: 1.132 local terms energy: -328.715561 where: bonds (distance) C4'-P energy: -53.324 bonds (distance) P-C4' energy: -71.233 flat angles C4'-P-C4' energy: -69.514 flat angles P-C4'-P energy: -51.442 tors. eta vs tors. theta energy: -83.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1021.677560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.677560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.677560 (E_RNA) where: Base-Base interactions energy: -686.561 where: short stacking energy: -286.444 Base-Backbone interact. energy: -1.537 local terms energy: -333.579323 where: bonds (distance) C4'-P energy: -57.930 bonds (distance) P-C4' energy: -70.762 flat angles C4'-P-C4' energy: -74.420 flat angles P-C4'-P energy: -47.751 tors. eta vs tors. theta energy: -82.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -975.332351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.332351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.332351 (E_RNA) where: Base-Base interactions energy: -657.034 where: short stacking energy: -302.582 Base-Backbone interact. energy: 1.072 local terms energy: -319.370798 where: bonds (distance) C4'-P energy: -62.289 bonds (distance) P-C4' energy: -62.213 flat angles C4'-P-C4' energy: -65.331 flat angles P-C4'-P energy: -40.302 tors. eta vs tors. theta energy: -89.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -938.924114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.924114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.924114 (E_RNA) where: Base-Base interactions energy: -629.414 where: short stacking energy: -270.250 Base-Backbone interact. energy: 0.730 local terms energy: -310.240545 where: bonds (distance) C4'-P energy: -66.453 bonds (distance) P-C4' energy: -62.459 flat angles C4'-P-C4' energy: -67.638 flat angles P-C4'-P energy: -41.073 tors. eta vs tors. theta energy: -72.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -811.055896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.055896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.055896 (E_RNA) where: Base-Base interactions energy: -515.550 where: short stacking energy: -248.369 Base-Backbone interact. energy: -1.353 local terms energy: -294.152363 where: bonds (distance) C4'-P energy: -55.920 bonds (distance) P-C4' energy: -60.479 flat angles C4'-P-C4' energy: -66.746 flat angles P-C4'-P energy: -42.528 tors. eta vs tors. theta energy: -68.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -757.554936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.554936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.554936 (E_RNA) where: Base-Base interactions energy: -510.460 where: short stacking energy: -241.241 Base-Backbone interact. energy: 3.278 local terms energy: -250.373543 where: bonds (distance) C4'-P energy: -56.075 bonds (distance) P-C4' energy: -44.261 flat angles C4'-P-C4' energy: -61.401 flat angles P-C4'-P energy: -34.610 tors. eta vs tors. theta energy: -54.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -450.892302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.892302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.892302 (E_RNA) where: Base-Base interactions energy: -242.708 where: short stacking energy: -135.499 Base-Backbone interact. energy: -0.033 local terms energy: -208.150542 where: bonds (distance) C4'-P energy: -43.718 bonds (distance) P-C4' energy: -58.085 flat angles C4'-P-C4' energy: -56.351 flat angles P-C4'-P energy: -39.132 tors. eta vs tors. theta energy: -10.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -466.082921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.082921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.082921 (E_RNA) where: Base-Base interactions energy: -250.856 where: short stacking energy: -124.389 Base-Backbone interact. energy: 0.726 local terms energy: -215.952176 where: bonds (distance) C4'-P energy: -52.633 bonds (distance) P-C4' energy: -56.912 flat angles C4'-P-C4' energy: -60.227 flat angles P-C4'-P energy: -33.671 tors. eta vs tors. theta energy: -12.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -287.849795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.849795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.849795 (E_RNA) where: Base-Base interactions energy: -115.690 where: short stacking energy: -77.712 Base-Backbone interact. energy: 1.318 local terms energy: -173.477359 where: bonds (distance) C4'-P energy: -60.443 bonds (distance) P-C4' energy: -54.914 flat angles C4'-P-C4' energy: -30.193 flat angles P-C4'-P energy: -37.074 tors. eta vs tors. theta energy: 9.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1138.940719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.940719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.940719 (E_RNA) where: Base-Base interactions energy: -786.405 where: short stacking energy: -317.865 Base-Backbone interact. energy: -2.535 local terms energy: -350.001055 where: bonds (distance) C4'-P energy: -65.381 bonds (distance) P-C4' energy: -69.521 flat angles C4'-P-C4' energy: -73.982 flat angles P-C4'-P energy: -51.092 tors. eta vs tors. theta energy: -90.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1102.449692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.449692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.449692 (E_RNA) where: Base-Base interactions energy: -767.085 where: short stacking energy: -306.941 Base-Backbone interact. energy: -1.617 local terms energy: -333.747333 where: bonds (distance) C4'-P energy: -68.334 bonds (distance) P-C4' energy: -68.474 flat angles C4'-P-C4' energy: -70.954 flat angles P-C4'-P energy: -37.669 tors. eta vs tors. theta energy: -88.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1022.913077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.913077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.913077 (E_RNA) where: Base-Base interactions energy: -700.410 where: short stacking energy: -297.344 Base-Backbone interact. energy: -0.361 local terms energy: -322.142347 where: bonds (distance) C4'-P energy: -50.960 bonds (distance) P-C4' energy: -62.078 flat angles C4'-P-C4' energy: -75.131 flat angles P-C4'-P energy: -50.687 tors. eta vs tors. theta energy: -83.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -965.967949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.967949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.967949 (E_RNA) where: Base-Base interactions energy: -633.615 where: short stacking energy: -294.963 Base-Backbone interact. energy: -2.261 local terms energy: -330.091827 where: bonds (distance) C4'-P energy: -63.660 bonds (distance) P-C4' energy: -61.022 flat angles C4'-P-C4' energy: -71.979 flat angles P-C4'-P energy: -42.082 tors. eta vs tors. theta energy: -91.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -915.161359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.161359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.161359 (E_RNA) where: Base-Base interactions energy: -616.365 where: short stacking energy: -252.548 Base-Backbone interact. energy: -1.856 local terms energy: -296.940433 where: bonds (distance) C4'-P energy: -58.224 bonds (distance) P-C4' energy: -62.579 flat angles C4'-P-C4' energy: -60.292 flat angles P-C4'-P energy: -44.879 tors. eta vs tors. theta energy: -70.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -761.705652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.705652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.705652 (E_RNA) where: Base-Base interactions energy: -496.373 where: short stacking energy: -196.867 Base-Backbone interact. energy: 2.855 local terms energy: -268.188464 where: bonds (distance) C4'-P energy: -58.906 bonds (distance) P-C4' energy: -66.909 flat angles C4'-P-C4' energy: -54.137 flat angles P-C4'-P energy: -46.581 tors. eta vs tors. theta energy: -41.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -759.008048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.008048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.008048 (E_RNA) where: Base-Base interactions energy: -494.336 where: short stacking energy: -228.034 Base-Backbone interact. energy: 1.788 local terms energy: -266.460593 where: bonds (distance) C4'-P energy: -51.016 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -56.772 flat angles P-C4'-P energy: -45.686 tors. eta vs tors. theta energy: -54.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -477.932555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.932555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.932555 (E_RNA) where: Base-Base interactions energy: -260.294 where: short stacking energy: -130.647 Base-Backbone interact. energy: -1.408 local terms energy: -216.230160 where: bonds (distance) C4'-P energy: -55.375 bonds (distance) P-C4' energy: -63.485 flat angles C4'-P-C4' energy: -41.107 flat angles P-C4'-P energy: -34.662 tors. eta vs tors. theta energy: -21.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -417.052573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.052573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.052573 (E_RNA) where: Base-Base interactions energy: -230.635 where: short stacking energy: -144.785 Base-Backbone interact. energy: -1.557 local terms energy: -184.861032 where: bonds (distance) C4'-P energy: -46.172 bonds (distance) P-C4' energy: -54.316 flat angles C4'-P-C4' energy: -46.788 flat angles P-C4'-P energy: -20.755 tors. eta vs tors. theta energy: -16.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -272.812900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.812900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.812900 (E_RNA) where: Base-Base interactions energy: -94.493 where: short stacking energy: -72.405 Base-Backbone interact. energy: 0.820 local terms energy: -179.139739 where: bonds (distance) C4'-P energy: -43.642 bonds (distance) P-C4' energy: -56.377 flat angles C4'-P-C4' energy: -34.763 flat angles P-C4'-P energy: -45.051 tors. eta vs tors. theta energy: 0.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1129.301426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.301426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.301426 (E_RNA) where: Base-Base interactions energy: -780.038 where: short stacking energy: -325.235 Base-Backbone interact. energy: -0.450 local terms energy: -348.814251 where: bonds (distance) C4'-P energy: -68.532 bonds (distance) P-C4' energy: -63.659 flat angles C4'-P-C4' energy: -74.581 flat angles P-C4'-P energy: -45.185 tors. eta vs tors. theta energy: -96.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1094.468324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.468324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.468324 (E_RNA) where: Base-Base interactions energy: -758.570 where: short stacking energy: -320.878 Base-Backbone interact. energy: -1.642 local terms energy: -334.255606 where: bonds (distance) C4'-P energy: -56.722 bonds (distance) P-C4' energy: -75.648 flat angles C4'-P-C4' energy: -69.230 flat angles P-C4'-P energy: -44.911 tors. eta vs tors. theta energy: -87.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1019.864327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.864327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.864327 (E_RNA) where: Base-Base interactions energy: -685.908 where: short stacking energy: -278.143 Base-Backbone interact. energy: -0.763 local terms energy: -333.193955 where: bonds (distance) C4'-P energy: -68.661 bonds (distance) P-C4' energy: -57.858 flat angles C4'-P-C4' energy: -75.644 flat angles P-C4'-P energy: -47.548 tors. eta vs tors. theta energy: -83.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -956.611864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.611864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.611864 (E_RNA) where: Base-Base interactions energy: -642.843 where: short stacking energy: -272.024 Base-Backbone interact. energy: -1.813 local terms energy: -311.955222 where: bonds (distance) C4'-P energy: -65.985 bonds (distance) P-C4' energy: -55.152 flat angles C4'-P-C4' energy: -73.456 flat angles P-C4'-P energy: -38.704 tors. eta vs tors. theta energy: -78.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -906.987548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.987548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.987548 (E_RNA) where: Base-Base interactions energy: -600.992 where: short stacking energy: -253.496 Base-Backbone interact. energy: -0.530 local terms energy: -305.465352 where: bonds (distance) C4'-P energy: -71.360 bonds (distance) P-C4' energy: -60.701 flat angles C4'-P-C4' energy: -66.548 flat angles P-C4'-P energy: -32.731 tors. eta vs tors. theta energy: -74.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -841.877128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.877128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.877128 (E_RNA) where: Base-Base interactions energy: -551.540 where: short stacking energy: -245.671 Base-Backbone interact. energy: -1.359 local terms energy: -288.977683 where: bonds (distance) C4'-P energy: -48.604 bonds (distance) P-C4' energy: -67.260 flat angles C4'-P-C4' energy: -62.616 flat angles P-C4'-P energy: -40.709 tors. eta vs tors. theta energy: -69.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -760.699182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.699182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.699182 (E_RNA) where: Base-Base interactions energy: -485.127 where: short stacking energy: -208.138 Base-Backbone interact. energy: -1.043 local terms energy: -274.528292 where: bonds (distance) C4'-P energy: -61.631 bonds (distance) P-C4' energy: -53.372 flat angles C4'-P-C4' energy: -58.681 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: -58.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -517.925151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.925151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.925151 (E_RNA) where: Base-Base interactions energy: -297.622 where: short stacking energy: -159.639 Base-Backbone interact. energy: -2.364 local terms energy: -217.939527 where: bonds (distance) C4'-P energy: -45.505 bonds (distance) P-C4' energy: -58.538 flat angles C4'-P-C4' energy: -52.015 flat angles P-C4'-P energy: -39.051 tors. eta vs tors. theta energy: -22.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -449.751483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.751483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.751483 (E_RNA) where: Base-Base interactions energy: -220.907 where: short stacking energy: -132.689 Base-Backbone interact. energy: -1.682 local terms energy: -227.162359 where: bonds (distance) C4'-P energy: -53.537 bonds (distance) P-C4' energy: -64.137 flat angles C4'-P-C4' energy: -46.093 flat angles P-C4'-P energy: -43.602 tors. eta vs tors. theta energy: -19.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -288.155189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.155189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.155189 (E_RNA) where: Base-Base interactions energy: -103.694 where: short stacking energy: -61.363 Base-Backbone interact. energy: -2.257 local terms energy: -182.204115 where: bonds (distance) C4'-P energy: -52.329 bonds (distance) P-C4' energy: -64.474 flat angles C4'-P-C4' energy: -53.424 flat angles P-C4'-P energy: -22.414 tors. eta vs tors. theta energy: 10.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1128.740874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.740874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.740874 (E_RNA) where: Base-Base interactions energy: -772.886 where: short stacking energy: -319.766 Base-Backbone interact. energy: -2.528 local terms energy: -353.327052 where: bonds (distance) C4'-P energy: -66.326 bonds (distance) P-C4' energy: -69.763 flat angles C4'-P-C4' energy: -66.065 flat angles P-C4'-P energy: -50.510 tors. eta vs tors. theta energy: -100.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1066.127467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.127467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.127467 (E_RNA) where: Base-Base interactions energy: -737.860 where: short stacking energy: -303.040 Base-Backbone interact. energy: -2.752 local terms energy: -325.514813 where: bonds (distance) C4'-P energy: -51.881 bonds (distance) P-C4' energy: -74.337 flat angles C4'-P-C4' energy: -71.192 flat angles P-C4'-P energy: -45.885 tors. eta vs tors. theta energy: -82.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1003.934468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.934468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.934468 (E_RNA) where: Base-Base interactions energy: -684.356 where: short stacking energy: -292.016 Base-Backbone interact. energy: 2.666 local terms energy: -322.244231 where: bonds (distance) C4'-P energy: -61.998 bonds (distance) P-C4' energy: -71.198 flat angles C4'-P-C4' energy: -72.489 flat angles P-C4'-P energy: -37.658 tors. eta vs tors. theta energy: -78.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -938.568440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.568440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.568440 (E_RNA) where: Base-Base interactions energy: -632.438 where: short stacking energy: -266.933 Base-Backbone interact. energy: -1.475 local terms energy: -304.654972 where: bonds (distance) C4'-P energy: -59.999 bonds (distance) P-C4' energy: -64.438 flat angles C4'-P-C4' energy: -65.071 flat angles P-C4'-P energy: -34.381 tors. eta vs tors. theta energy: -80.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -909.866917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.866917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.866917 (E_RNA) where: Base-Base interactions energy: -594.886 where: short stacking energy: -258.517 Base-Backbone interact. energy: 3.469 local terms energy: -318.450168 where: bonds (distance) C4'-P energy: -58.527 bonds (distance) P-C4' energy: -66.709 flat angles C4'-P-C4' energy: -66.856 flat angles P-C4'-P energy: -44.034 tors. eta vs tors. theta energy: -82.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -806.888355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.888355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.888355 (E_RNA) where: Base-Base interactions energy: -522.808 where: short stacking energy: -250.183 Base-Backbone interact. energy: 1.523 local terms energy: -285.603323 where: bonds (distance) C4'-P energy: -62.594 bonds (distance) P-C4' energy: -51.311 flat angles C4'-P-C4' energy: -59.362 flat angles P-C4'-P energy: -49.260 tors. eta vs tors. theta energy: -63.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -749.067066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.067066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.067066 (E_RNA) where: Base-Base interactions energy: -491.098 where: short stacking energy: -206.781 Base-Backbone interact. energy: -1.299 local terms energy: -256.670463 where: bonds (distance) C4'-P energy: -47.226 bonds (distance) P-C4' energy: -67.278 flat angles C4'-P-C4' energy: -55.736 flat angles P-C4'-P energy: -35.259 tors. eta vs tors. theta energy: -51.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -481.233387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.233387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.233387 (E_RNA) where: Base-Base interactions energy: -243.693 where: short stacking energy: -141.501 Base-Backbone interact. energy: -0.139 local terms energy: -237.402028 where: bonds (distance) C4'-P energy: -45.359 bonds (distance) P-C4' energy: -69.478 flat angles C4'-P-C4' energy: -54.253 flat angles P-C4'-P energy: -34.700 tors. eta vs tors. theta energy: -33.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -433.881699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.881699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.881699 (E_RNA) where: Base-Base interactions energy: -241.517 where: short stacking energy: -125.136 Base-Backbone interact. energy: -0.042 local terms energy: -192.323166 where: bonds (distance) C4'-P energy: -46.207 bonds (distance) P-C4' energy: -56.568 flat angles C4'-P-C4' energy: -48.222 flat angles P-C4'-P energy: -32.229 tors. eta vs tors. theta energy: -9.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -267.684422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.684422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.684422 (E_RNA) where: Base-Base interactions energy: -83.434 where: short stacking energy: -78.284 Base-Backbone interact. energy: -1.195 local terms energy: -183.055429 where: bonds (distance) C4'-P energy: -46.159 bonds (distance) P-C4' energy: -58.472 flat angles C4'-P-C4' energy: -55.938 flat angles P-C4'-P energy: -32.308 tors. eta vs tors. theta energy: 9.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1099.314481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.314481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.314481 (E_RNA) where: Base-Base interactions energy: -744.202 where: short stacking energy: -320.760 Base-Backbone interact. energy: -3.724 local terms energy: -351.388059 where: bonds (distance) C4'-P energy: -60.952 bonds (distance) P-C4' energy: -66.524 flat angles C4'-P-C4' energy: -74.384 flat angles P-C4'-P energy: -50.403 tors. eta vs tors. theta energy: -99.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1067.849650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.849650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.849650 (E_RNA) where: Base-Base interactions energy: -734.100 where: short stacking energy: -298.940 Base-Backbone interact. energy: -0.664 local terms energy: -333.085764 where: bonds (distance) C4'-P energy: -67.445 bonds (distance) P-C4' energy: -67.263 flat angles C4'-P-C4' energy: -69.772 flat angles P-C4'-P energy: -43.743 tors. eta vs tors. theta energy: -84.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1021.628644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.628644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.628644 (E_RNA) where: Base-Base interactions energy: -692.853 where: short stacking energy: -298.606 Base-Backbone interact. energy: 0.513 local terms energy: -329.289369 where: bonds (distance) C4'-P energy: -65.737 bonds (distance) P-C4' energy: -55.743 flat angles C4'-P-C4' energy: -72.493 flat angles P-C4'-P energy: -47.038 tors. eta vs tors. theta energy: -88.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -955.613793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.613793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.613793 (E_RNA) where: Base-Base interactions energy: -636.216 where: short stacking energy: -285.510 Base-Backbone interact. energy: -1.933 local terms energy: -317.464265 where: bonds (distance) C4'-P energy: -59.778 bonds (distance) P-C4' energy: -57.701 flat angles C4'-P-C4' energy: -69.432 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -89.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -918.070103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.070103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.070103 (E_RNA) where: Base-Base interactions energy: -623.383 where: short stacking energy: -289.859 Base-Backbone interact. energy: -1.227 local terms energy: -293.459905 where: bonds (distance) C4'-P energy: -51.171 bonds (distance) P-C4' energy: -47.587 flat angles C4'-P-C4' energy: -60.020 flat angles P-C4'-P energy: -55.835 tors. eta vs tors. theta energy: -78.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -786.091139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.091139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.091139 (E_RNA) where: Base-Base interactions energy: -506.219 where: short stacking energy: -241.867 Base-Backbone interact. energy: -1.362 local terms energy: -278.510129 where: bonds (distance) C4'-P energy: -47.287 bonds (distance) P-C4' energy: -60.068 flat angles C4'-P-C4' energy: -65.121 flat angles P-C4'-P energy: -40.563 tors. eta vs tors. theta energy: -65.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -746.322400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.322400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.322400 (E_RNA) where: Base-Base interactions energy: -491.325 where: short stacking energy: -221.074 Base-Backbone interact. energy: -2.674 local terms energy: -252.324005 where: bonds (distance) C4'-P energy: -50.955 bonds (distance) P-C4' energy: -52.931 flat angles C4'-P-C4' energy: -70.545 flat angles P-C4'-P energy: -30.658 tors. eta vs tors. theta energy: -47.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -451.785724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.785724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.785724 (E_RNA) where: Base-Base interactions energy: -252.124 where: short stacking energy: -144.502 Base-Backbone interact. energy: 4.609 local terms energy: -204.270338 where: bonds (distance) C4'-P energy: -53.293 bonds (distance) P-C4' energy: -55.110 flat angles C4'-P-C4' energy: -55.051 flat angles P-C4'-P energy: -24.879 tors. eta vs tors. theta energy: -15.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -400.776968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.776968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.776968 (E_RNA) where: Base-Base interactions energy: -222.196 where: short stacking energy: -125.977 Base-Backbone interact. energy: -0.143 local terms energy: -178.437354 where: bonds (distance) C4'-P energy: -63.921 bonds (distance) P-C4' energy: -52.997 flat angles C4'-P-C4' energy: -34.180 flat angles P-C4'-P energy: -20.576 tors. eta vs tors. theta energy: -6.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -254.579634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.579634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.579634 (E_RNA) where: Base-Base interactions energy: -84.321 where: short stacking energy: -74.339 Base-Backbone interact. energy: 1.712 local terms energy: -171.969952 where: bonds (distance) C4'-P energy: -50.550 bonds (distance) P-C4' energy: -61.759 flat angles C4'-P-C4' energy: -36.687 flat angles P-C4'-P energy: -35.335 tors. eta vs tors. theta energy: 12.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1110.969000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.969000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.969000 (E_RNA) where: Base-Base interactions energy: -773.385 where: short stacking energy: -318.623 Base-Backbone interact. energy: 4.388 local terms energy: -341.972102 where: bonds (distance) C4'-P energy: -63.211 bonds (distance) P-C4' energy: -53.798 flat angles C4'-P-C4' energy: -74.445 flat angles P-C4'-P energy: -53.752 tors. eta vs tors. theta energy: -96.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1110.638151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.638151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.638151 (E_RNA) where: Base-Base interactions energy: -776.349 where: short stacking energy: -315.500 Base-Backbone interact. energy: -1.931 local terms energy: -332.357993 where: bonds (distance) C4'-P energy: -54.199 bonds (distance) P-C4' energy: -57.723 flat angles C4'-P-C4' energy: -77.508 flat angles P-C4'-P energy: -52.714 tors. eta vs tors. theta energy: -90.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1023.471470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.471470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.471470 (E_RNA) where: Base-Base interactions energy: -708.193 where: short stacking energy: -291.457 Base-Backbone interact. energy: 0.966 local terms energy: -316.244885 where: bonds (distance) C4'-P energy: -61.961 bonds (distance) P-C4' energy: -57.834 flat angles C4'-P-C4' energy: -64.697 flat angles P-C4'-P energy: -47.788 tors. eta vs tors. theta energy: -83.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -957.303780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.303780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.303780 (E_RNA) where: Base-Base interactions energy: -648.455 where: short stacking energy: -268.526 Base-Backbone interact. energy: -1.295 local terms energy: -307.553290 where: bonds (distance) C4'-P energy: -56.971 bonds (distance) P-C4' energy: -66.801 flat angles C4'-P-C4' energy: -63.030 flat angles P-C4'-P energy: -33.016 tors. eta vs tors. theta energy: -87.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -932.723277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.723277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.723277 (E_RNA) where: Base-Base interactions energy: -608.946 where: short stacking energy: -285.494 Base-Backbone interact. energy: -1.165 local terms energy: -322.611620 where: bonds (distance) C4'-P energy: -61.774 bonds (distance) P-C4' energy: -67.955 flat angles C4'-P-C4' energy: -56.810 flat angles P-C4'-P energy: -47.285 tors. eta vs tors. theta energy: -88.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -830.382673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.382673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.382673 (E_RNA) where: Base-Base interactions energy: -535.680 where: short stacking energy: -239.646 Base-Backbone interact. energy: -1.071 local terms energy: -293.632313 where: bonds (distance) C4'-P energy: -51.736 bonds (distance) P-C4' energy: -65.165 flat angles C4'-P-C4' energy: -67.264 flat angles P-C4'-P energy: -33.522 tors. eta vs tors. theta energy: -75.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -795.734039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.734039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.734039 (E_RNA) where: Base-Base interactions energy: -518.221 where: short stacking energy: -236.479 Base-Backbone interact. energy: -1.062 local terms energy: -276.450915 where: bonds (distance) C4'-P energy: -52.584 bonds (distance) P-C4' energy: -55.075 flat angles C4'-P-C4' energy: -55.060 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: -62.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -454.817269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.817269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.817269 (E_RNA) where: Base-Base interactions energy: -238.425 where: short stacking energy: -164.142 Base-Backbone interact. energy: -1.079 local terms energy: -215.313477 where: bonds (distance) C4'-P energy: -43.538 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -49.503 flat angles P-C4'-P energy: -32.242 tors. eta vs tors. theta energy: -29.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -431.858240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.858240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.858240 (E_RNA) where: Base-Base interactions energy: -220.400 where: short stacking energy: -142.036 Base-Backbone interact. energy: -0.862 local terms energy: -210.596823 where: bonds (distance) C4'-P energy: -52.458 bonds (distance) P-C4' energy: -58.574 flat angles C4'-P-C4' energy: -51.310 flat angles P-C4'-P energy: -28.189 tors. eta vs tors. theta energy: -20.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -278.372600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.372600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.372600 (E_RNA) where: Base-Base interactions energy: -83.278 where: short stacking energy: -82.139 Base-Backbone interact. energy: -1.308 local terms energy: -193.786678 where: bonds (distance) C4'-P energy: -63.442 bonds (distance) P-C4' energy: -66.252 flat angles C4'-P-C4' energy: -33.980 flat angles P-C4'-P energy: -27.033 tors. eta vs tors. theta energy: -3.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1112.322008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.322008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.322008 (E_RNA) where: Base-Base interactions energy: -760.717 where: short stacking energy: -338.717 Base-Backbone interact. energy: -3.134 local terms energy: -348.471503 where: bonds (distance) C4'-P energy: -70.087 bonds (distance) P-C4' energy: -66.901 flat angles C4'-P-C4' energy: -72.423 flat angles P-C4'-P energy: -40.770 tors. eta vs tors. theta energy: -98.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1111.986390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.986390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.986390 (E_RNA) where: Base-Base interactions energy: -779.515 where: short stacking energy: -310.231 Base-Backbone interact. energy: -0.837 local terms energy: -331.634520 where: bonds (distance) C4'-P energy: -55.381 bonds (distance) P-C4' energy: -67.124 flat angles C4'-P-C4' energy: -73.252 flat angles P-C4'-P energy: -52.006 tors. eta vs tors. theta energy: -83.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1037.953326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.953326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.953326 (E_RNA) where: Base-Base interactions energy: -715.569 where: short stacking energy: -290.516 Base-Backbone interact. energy: -1.746 local terms energy: -320.637589 where: bonds (distance) C4'-P energy: -53.477 bonds (distance) P-C4' energy: -59.230 flat angles C4'-P-C4' energy: -66.436 flat angles P-C4'-P energy: -56.388 tors. eta vs tors. theta energy: -85.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -960.733613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.733613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.733613 (E_RNA) where: Base-Base interactions energy: -643.324 where: short stacking energy: -265.205 Base-Backbone interact. energy: 0.788 local terms energy: -318.197665 where: bonds (distance) C4'-P energy: -63.671 bonds (distance) P-C4' energy: -63.005 flat angles C4'-P-C4' energy: -72.780 flat angles P-C4'-P energy: -40.434 tors. eta vs tors. theta energy: -78.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -941.872642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.872642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.872642 (E_RNA) where: Base-Base interactions energy: -626.897 where: short stacking energy: -284.253 Base-Backbone interact. energy: -0.203 local terms energy: -314.772118 where: bonds (distance) C4'-P energy: -50.257 bonds (distance) P-C4' energy: -65.194 flat angles C4'-P-C4' energy: -65.050 flat angles P-C4'-P energy: -41.886 tors. eta vs tors. theta energy: -92.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -845.186528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.186528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.186528 (E_RNA) where: Base-Base interactions energy: -563.475 where: short stacking energy: -242.239 Base-Backbone interact. energy: -1.491 local terms energy: -280.220120 where: bonds (distance) C4'-P energy: -53.946 bonds (distance) P-C4' energy: -57.126 flat angles C4'-P-C4' energy: -61.504 flat angles P-C4'-P energy: -38.400 tors. eta vs tors. theta energy: -69.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -790.050707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.050707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.050707 (E_RNA) where: Base-Base interactions energy: -521.290 where: short stacking energy: -238.383 Base-Backbone interact. energy: -2.945 local terms energy: -265.815295 where: bonds (distance) C4'-P energy: -54.515 bonds (distance) P-C4' energy: -56.910 flat angles C4'-P-C4' energy: -60.204 flat angles P-C4'-P energy: -38.644 tors. eta vs tors. theta energy: -55.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -496.000431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.000431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.000431 (E_RNA) where: Base-Base interactions energy: -243.645 where: short stacking energy: -125.494 Base-Backbone interact. energy: 1.705 local terms energy: -254.060445 where: bonds (distance) C4'-P energy: -65.000 bonds (distance) P-C4' energy: -62.886 flat angles C4'-P-C4' energy: -60.824 flat angles P-C4'-P energy: -38.083 tors. eta vs tors. theta energy: -27.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -454.306674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.306674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.306674 (E_RNA) where: Base-Base interactions energy: -231.458 where: short stacking energy: -129.442 Base-Backbone interact. energy: 0.713 local terms energy: -223.562387 where: bonds (distance) C4'-P energy: -56.589 bonds (distance) P-C4' energy: -53.394 flat angles C4'-P-C4' energy: -63.835 flat angles P-C4'-P energy: -32.563 tors. eta vs tors. theta energy: -17.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -277.305229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.305229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.305229 (E_RNA) where: Base-Base interactions energy: -109.093 where: short stacking energy: -91.441 Base-Backbone interact. energy: -0.806 local terms energy: -167.405741 where: bonds (distance) C4'-P energy: -41.888 bonds (distance) P-C4' energy: -55.845 flat angles C4'-P-C4' energy: -45.272 flat angles P-C4'-P energy: -30.607 tors. eta vs tors. theta energy: 6.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1103.879883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.879883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.879883 (E_RNA) where: Base-Base interactions energy: -766.697 where: short stacking energy: -319.206 Base-Backbone interact. energy: -0.449 local terms energy: -336.733983 where: bonds (distance) C4'-P energy: -61.550 bonds (distance) P-C4' energy: -64.614 flat angles C4'-P-C4' energy: -67.856 flat angles P-C4'-P energy: -45.068 tors. eta vs tors. theta energy: -97.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1106.011363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.011363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.011363 (E_RNA) where: Base-Base interactions energy: -776.838 where: short stacking energy: -312.209 Base-Backbone interact. energy: -3.233 local terms energy: -325.940222 where: bonds (distance) C4'-P energy: -65.429 bonds (distance) P-C4' energy: -54.309 flat angles C4'-P-C4' energy: -70.831 flat angles P-C4'-P energy: -50.762 tors. eta vs tors. theta energy: -84.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1018.217144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.217144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.217144 (E_RNA) where: Base-Base interactions energy: -700.980 where: short stacking energy: -294.568 Base-Backbone interact. energy: 3.636 local terms energy: -320.873418 where: bonds (distance) C4'-P energy: -59.787 bonds (distance) P-C4' energy: -69.207 flat angles C4'-P-C4' energy: -59.184 flat angles P-C4'-P energy: -39.590 tors. eta vs tors. theta energy: -93.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -943.337671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.337671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.337671 (E_RNA) where: Base-Base interactions energy: -637.429 where: short stacking energy: -260.195 Base-Backbone interact. energy: -3.598 local terms energy: -302.311054 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -66.653 flat angles C4'-P-C4' energy: -67.525 flat angles P-C4'-P energy: -27.336 tors. eta vs tors. theta energy: -88.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -919.591102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.591102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.591102 (E_RNA) where: Base-Base interactions energy: -597.081 where: short stacking energy: -254.514 Base-Backbone interact. energy: 0.212 local terms energy: -322.721457 where: bonds (distance) C4'-P energy: -59.100 bonds (distance) P-C4' energy: -70.082 flat angles C4'-P-C4' energy: -68.708 flat angles P-C4'-P energy: -45.591 tors. eta vs tors. theta energy: -79.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -842.015072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.015072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.015072 (E_RNA) where: Base-Base interactions energy: -551.927 where: short stacking energy: -254.156 Base-Backbone interact. energy: -0.741 local terms energy: -289.347247 where: bonds (distance) C4'-P energy: -58.235 bonds (distance) P-C4' energy: -63.561 flat angles C4'-P-C4' energy: -57.504 flat angles P-C4'-P energy: -44.802 tors. eta vs tors. theta energy: -65.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -779.946334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.946334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.946334 (E_RNA) where: Base-Base interactions energy: -513.879 where: short stacking energy: -229.929 Base-Backbone interact. energy: -0.063 local terms energy: -266.003749 where: bonds (distance) C4'-P energy: -54.554 bonds (distance) P-C4' energy: -54.970 flat angles C4'-P-C4' energy: -68.758 flat angles P-C4'-P energy: -30.389 tors. eta vs tors. theta energy: -57.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -484.699260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.699260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.699260 (E_RNA) where: Base-Base interactions energy: -241.702 where: short stacking energy: -158.485 Base-Backbone interact. energy: -2.102 local terms energy: -240.895884 where: bonds (distance) C4'-P energy: -51.369 bonds (distance) P-C4' energy: -65.179 flat angles C4'-P-C4' energy: -54.309 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -24.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -413.321974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.321974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.321974 (E_RNA) where: Base-Base interactions energy: -198.549 where: short stacking energy: -117.184 Base-Backbone interact. energy: -0.838 local terms energy: -213.934508 where: bonds (distance) C4'-P energy: -57.777 bonds (distance) P-C4' energy: -58.093 flat angles C4'-P-C4' energy: -52.260 flat angles P-C4'-P energy: -39.448 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -275.787111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.787111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.787111 (E_RNA) where: Base-Base interactions energy: -86.709 where: short stacking energy: -72.754 Base-Backbone interact. energy: -0.933 local terms energy: -188.144990 where: bonds (distance) C4'-P energy: -47.817 bonds (distance) P-C4' energy: -62.219 flat angles C4'-P-C4' energy: -55.121 flat angles P-C4'-P energy: -29.679 tors. eta vs tors. theta energy: 6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1135.348394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.348394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.348394 (E_RNA) where: Base-Base interactions energy: -801.669 where: short stacking energy: -323.011 Base-Backbone interact. energy: -3.168 local terms energy: -330.511104 where: bonds (distance) C4'-P energy: -61.696 bonds (distance) P-C4' energy: -59.733 flat angles C4'-P-C4' energy: -70.835 flat angles P-C4'-P energy: -40.672 tors. eta vs tors. theta energy: -97.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1045.434815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.434815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.434815 (E_RNA) where: Base-Base interactions energy: -717.928 where: short stacking energy: -288.341 Base-Backbone interact. energy: -0.931 local terms energy: -326.575214 where: bonds (distance) C4'-P energy: -62.761 bonds (distance) P-C4' energy: -68.062 flat angles C4'-P-C4' energy: -69.515 flat angles P-C4'-P energy: -37.615 tors. eta vs tors. theta energy: -88.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1079.229030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.229030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.229030 (E_RNA) where: Base-Base interactions energy: -747.703 where: short stacking energy: -299.798 Base-Backbone interact. energy: -1.225 local terms energy: -330.301187 where: bonds (distance) C4'-P energy: -59.444 bonds (distance) P-C4' energy: -59.668 flat angles C4'-P-C4' energy: -74.222 flat angles P-C4'-P energy: -45.169 tors. eta vs tors. theta energy: -91.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -983.606543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.606543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.606543 (E_RNA) where: Base-Base interactions energy: -653.708 where: short stacking energy: -293.328 Base-Backbone interact. energy: 0.043 local terms energy: -329.941363 where: bonds (distance) C4'-P energy: -59.456 bonds (distance) P-C4' energy: -67.105 flat angles C4'-P-C4' energy: -64.200 flat angles P-C4'-P energy: -50.697 tors. eta vs tors. theta energy: -88.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -924.497205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.497205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.497205 (E_RNA) where: Base-Base interactions energy: -633.299 where: short stacking energy: -282.265 Base-Backbone interact. energy: -1.173 local terms energy: -290.025302 where: bonds (distance) C4'-P energy: -47.975 bonds (distance) P-C4' energy: -62.868 flat angles C4'-P-C4' energy: -72.909 flat angles P-C4'-P energy: -29.218 tors. eta vs tors. theta energy: -77.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -848.675231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.675231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.675231 (E_RNA) where: Base-Base interactions energy: -531.049 where: short stacking energy: -264.328 Base-Backbone interact. energy: 0.081 local terms energy: -317.707178 where: bonds (distance) C4'-P energy: -62.583 bonds (distance) P-C4' energy: -65.328 flat angles C4'-P-C4' energy: -66.300 flat angles P-C4'-P energy: -47.131 tors. eta vs tors. theta energy: -76.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -740.831231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.831231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.831231 (E_RNA) where: Base-Base interactions energy: -472.396 where: short stacking energy: -232.575 Base-Backbone interact. energy: -0.980 local terms energy: -267.454867 where: bonds (distance) C4'-P energy: -63.673 bonds (distance) P-C4' energy: -57.199 flat angles C4'-P-C4' energy: -58.273 flat angles P-C4'-P energy: -32.664 tors. eta vs tors. theta energy: -55.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -476.443487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.443487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.443487 (E_RNA) where: Base-Base interactions energy: -255.022 where: short stacking energy: -146.669 Base-Backbone interact. energy: -1.256 local terms energy: -220.165335 where: bonds (distance) C4'-P energy: -55.839 bonds (distance) P-C4' energy: -60.184 flat angles C4'-P-C4' energy: -56.133 flat angles P-C4'-P energy: -27.789 tors. eta vs tors. theta energy: -20.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -429.417388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.417388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.417388 (E_RNA) where: Base-Base interactions energy: -221.030 where: short stacking energy: -126.021 Base-Backbone interact. energy: 1.284 local terms energy: -209.671647 where: bonds (distance) C4'-P energy: -43.345 bonds (distance) P-C4' energy: -55.259 flat angles C4'-P-C4' energy: -53.621 flat angles P-C4'-P energy: -34.154 tors. eta vs tors. theta energy: -23.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -318.222242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.222242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.222242 (E_RNA) where: Base-Base interactions energy: -148.385 where: short stacking energy: -109.635 Base-Backbone interact. energy: 0.316 local terms energy: -170.153512 where: bonds (distance) C4'-P energy: -34.704 bonds (distance) P-C4' energy: -55.344 flat angles C4'-P-C4' energy: -45.500 flat angles P-C4'-P energy: -38.048 tors. eta vs tors. theta energy: 3.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1135.457735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.457735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.457735 (E_RNA) where: Base-Base interactions energy: -794.604 where: short stacking energy: -335.322 Base-Backbone interact. energy: -1.922 local terms energy: -338.931563 where: bonds (distance) C4'-P energy: -62.979 bonds (distance) P-C4' energy: -66.914 flat angles C4'-P-C4' energy: -75.356 flat angles P-C4'-P energy: -34.344 tors. eta vs tors. theta energy: -99.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1084.124891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.124891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.124891 (E_RNA) where: Base-Base interactions energy: -748.366 where: short stacking energy: -301.500 Base-Backbone interact. energy: -3.472 local terms energy: -332.286874 where: bonds (distance) C4'-P energy: -55.458 bonds (distance) P-C4' energy: -65.839 flat angles C4'-P-C4' energy: -72.935 flat angles P-C4'-P energy: -45.779 tors. eta vs tors. theta energy: -92.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1067.759411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.759411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.759411 (E_RNA) where: Base-Base interactions energy: -742.713 where: short stacking energy: -315.559 Base-Backbone interact. energy: -2.077 local terms energy: -322.969665 where: bonds (distance) C4'-P energy: -58.636 bonds (distance) P-C4' energy: -64.387 flat angles C4'-P-C4' energy: -69.987 flat angles P-C4'-P energy: -44.027 tors. eta vs tors. theta energy: -85.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -965.623017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.623017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.623017 (E_RNA) where: Base-Base interactions energy: -632.740 where: short stacking energy: -272.799 Base-Backbone interact. energy: -0.170 local terms energy: -332.713301 where: bonds (distance) C4'-P energy: -56.117 bonds (distance) P-C4' energy: -65.526 flat angles C4'-P-C4' energy: -76.298 flat angles P-C4'-P energy: -46.224 tors. eta vs tors. theta energy: -88.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -924.996662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.996662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.996662 (E_RNA) where: Base-Base interactions energy: -616.350 where: short stacking energy: -258.652 Base-Backbone interact. energy: -0.009 local terms energy: -308.637807 where: bonds (distance) C4'-P energy: -59.727 bonds (distance) P-C4' energy: -61.561 flat angles C4'-P-C4' energy: -62.224 flat angles P-C4'-P energy: -40.717 tors. eta vs tors. theta energy: -84.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -808.298541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.298541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.298541 (E_RNA) where: Base-Base interactions energy: -511.993 where: short stacking energy: -248.853 Base-Backbone interact. energy: -1.662 local terms energy: -294.643936 where: bonds (distance) C4'-P energy: -54.087 bonds (distance) P-C4' energy: -65.842 flat angles C4'-P-C4' energy: -64.164 flat angles P-C4'-P energy: -42.322 tors. eta vs tors. theta energy: -68.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -744.535162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.535162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.535162 (E_RNA) where: Base-Base interactions energy: -471.291 where: short stacking energy: -219.179 Base-Backbone interact. energy: -0.912 local terms energy: -272.332889 where: bonds (distance) C4'-P energy: -59.641 bonds (distance) P-C4' energy: -60.591 flat angles C4'-P-C4' energy: -54.846 flat angles P-C4'-P energy: -36.060 tors. eta vs tors. theta energy: -61.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -484.112498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.112498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.112498 (E_RNA) where: Base-Base interactions energy: -253.347 where: short stacking energy: -148.883 Base-Backbone interact. energy: -1.264 local terms energy: -229.500793 where: bonds (distance) C4'-P energy: -71.068 bonds (distance) P-C4' energy: -55.573 flat angles C4'-P-C4' energy: -49.591 flat angles P-C4'-P energy: -38.512 tors. eta vs tors. theta energy: -14.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -413.480141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.480141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.480141 (E_RNA) where: Base-Base interactions energy: -220.581 where: short stacking energy: -120.921 Base-Backbone interact. energy: 0.633 local terms energy: -193.531519 where: bonds (distance) C4'-P energy: -56.984 bonds (distance) P-C4' energy: -54.687 flat angles C4'-P-C4' energy: -52.231 flat angles P-C4'-P energy: -31.688 tors. eta vs tors. theta energy: 2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -327.113283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.113283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.113283 (E_RNA) where: Base-Base interactions energy: -135.741 where: short stacking energy: -89.884 Base-Backbone interact. energy: -0.360 local terms energy: -191.012116 where: bonds (distance) C4'-P energy: -53.095 bonds (distance) P-C4' energy: -63.159 flat angles C4'-P-C4' energy: -46.936 flat angles P-C4'-P energy: -16.085 tors. eta vs tors. theta energy: -11.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1126.781102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.781102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.781102 (E_RNA) where: Base-Base interactions energy: -786.427 where: short stacking energy: -335.113 Base-Backbone interact. energy: -3.085 local terms energy: -337.269373 where: bonds (distance) C4'-P energy: -56.568 bonds (distance) P-C4' energy: -64.331 flat angles C4'-P-C4' energy: -75.575 flat angles P-C4'-P energy: -40.281 tors. eta vs tors. theta energy: -100.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1097.004269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.004269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.004269 (E_RNA) where: Base-Base interactions energy: -755.757 where: short stacking energy: -307.868 Base-Backbone interact. energy: -1.032 local terms energy: -340.216140 where: bonds (distance) C4'-P energy: -62.330 bonds (distance) P-C4' energy: -62.542 flat angles C4'-P-C4' energy: -78.793 flat angles P-C4'-P energy: -43.499 tors. eta vs tors. theta energy: -93.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1057.177441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.177441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.177441 (E_RNA) where: Base-Base interactions energy: -737.796 where: short stacking energy: -298.145 Base-Backbone interact. energy: -1.404 local terms energy: -317.976611 where: bonds (distance) C4'-P energy: -50.195 bonds (distance) P-C4' energy: -60.303 flat angles C4'-P-C4' energy: -68.934 flat angles P-C4'-P energy: -48.510 tors. eta vs tors. theta energy: -90.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -962.748414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.748414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.748414 (E_RNA) where: Base-Base interactions energy: -658.593 where: short stacking energy: -281.202 Base-Backbone interact. energy: -0.524 local terms energy: -303.631287 where: bonds (distance) C4'-P energy: -49.549 bonds (distance) P-C4' energy: -56.392 flat angles C4'-P-C4' energy: -73.182 flat angles P-C4'-P energy: -39.294 tors. eta vs tors. theta energy: -85.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -926.829206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.829206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.829206 (E_RNA) where: Base-Base interactions energy: -633.780 where: short stacking energy: -270.217 Base-Backbone interact. energy: 0.944 local terms energy: -293.993720 where: bonds (distance) C4'-P energy: -59.747 bonds (distance) P-C4' energy: -62.780 flat angles C4'-P-C4' energy: -59.164 flat angles P-C4'-P energy: -36.385 tors. eta vs tors. theta energy: -75.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -820.673538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.673538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.673538 (E_RNA) where: Base-Base interactions energy: -528.324 where: short stacking energy: -250.941 Base-Backbone interact. energy: -0.996 local terms energy: -291.353436 where: bonds (distance) C4'-P energy: -61.763 bonds (distance) P-C4' energy: -62.160 flat angles C4'-P-C4' energy: -54.663 flat angles P-C4'-P energy: -43.649 tors. eta vs tors. theta energy: -69.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -756.013021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.013021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.013021 (E_RNA) where: Base-Base interactions energy: -496.478 where: short stacking energy: -227.289 Base-Backbone interact. energy: -1.272 local terms energy: -258.263575 where: bonds (distance) C4'-P energy: -53.069 bonds (distance) P-C4' energy: -51.559 flat angles C4'-P-C4' energy: -59.099 flat angles P-C4'-P energy: -36.513 tors. eta vs tors. theta energy: -58.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -461.338790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.338790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.338790 (E_RNA) where: Base-Base interactions energy: -250.436 where: short stacking energy: -137.160 Base-Backbone interact. energy: -1.228 local terms energy: -209.674520 where: bonds (distance) C4'-P energy: -58.107 bonds (distance) P-C4' energy: -52.455 flat angles C4'-P-C4' energy: -48.050 flat angles P-C4'-P energy: -26.990 tors. eta vs tors. theta energy: -24.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -430.480865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.480865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.480865 (E_RNA) where: Base-Base interactions energy: -220.353 where: short stacking energy: -122.228 Base-Backbone interact. energy: -0.508 local terms energy: -209.619094 where: bonds (distance) C4'-P energy: -46.027 bonds (distance) P-C4' energy: -58.013 flat angles C4'-P-C4' energy: -51.600 flat angles P-C4'-P energy: -36.287 tors. eta vs tors. theta energy: -17.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -254.060374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.060374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.060374 (E_RNA) where: Base-Base interactions energy: -82.861 where: short stacking energy: -62.953 Base-Backbone interact. energy: -2.198 local terms energy: -169.000620 where: bonds (distance) C4'-P energy: -51.173 bonds (distance) P-C4' energy: -64.113 flat angles C4'-P-C4' energy: -40.417 flat angles P-C4'-P energy: -31.137 tors. eta vs tors. theta energy: 17.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1119.152815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.152815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.152815 (E_RNA) where: Base-Base interactions energy: -775.210 where: short stacking energy: -312.222 Base-Backbone interact. energy: -1.554 local terms energy: -342.389526 where: bonds (distance) C4'-P energy: -59.760 bonds (distance) P-C4' energy: -71.161 flat angles C4'-P-C4' energy: -75.577 flat angles P-C4'-P energy: -48.755 tors. eta vs tors. theta energy: -87.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1096.518544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.518544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.518544 (E_RNA) where: Base-Base interactions energy: -765.947 where: short stacking energy: -317.274 Base-Backbone interact. energy: -1.859 local terms energy: -328.712623 where: bonds (distance) C4'-P energy: -52.871 bonds (distance) P-C4' energy: -62.569 flat angles C4'-P-C4' energy: -67.932 flat angles P-C4'-P energy: -51.794 tors. eta vs tors. theta energy: -93.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1068.114933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.114933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.114933 (E_RNA) where: Base-Base interactions energy: -753.953 where: short stacking energy: -312.076 Base-Backbone interact. energy: -1.433 local terms energy: -312.728915 where: bonds (distance) C4'-P energy: -52.221 bonds (distance) P-C4' energy: -58.889 flat angles C4'-P-C4' energy: -76.873 flat angles P-C4'-P energy: -33.446 tors. eta vs tors. theta energy: -91.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -980.010003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.010003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.010003 (E_RNA) where: Base-Base interactions energy: -662.282 where: short stacking energy: -287.915 Base-Backbone interact. energy: 1.089 local terms energy: -318.816897 where: bonds (distance) C4'-P energy: -68.198 bonds (distance) P-C4' energy: -60.825 flat angles C4'-P-C4' energy: -63.314 flat angles P-C4'-P energy: -44.954 tors. eta vs tors. theta energy: -81.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -913.188658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.188658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.188658 (E_RNA) where: Base-Base interactions energy: -623.770 where: short stacking energy: -262.325 Base-Backbone interact. energy: -1.348 local terms energy: -288.070493 where: bonds (distance) C4'-P energy: -53.375 bonds (distance) P-C4' energy: -59.360 flat angles C4'-P-C4' energy: -61.751 flat angles P-C4'-P energy: -40.644 tors. eta vs tors. theta energy: -72.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -867.158514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.158514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.158514 (E_RNA) where: Base-Base interactions energy: -565.765 where: short stacking energy: -235.378 Base-Backbone interact. energy: -3.692 local terms energy: -297.701476 where: bonds (distance) C4'-P energy: -58.461 bonds (distance) P-C4' energy: -70.333 flat angles C4'-P-C4' energy: -61.323 flat angles P-C4'-P energy: -44.717 tors. eta vs tors. theta energy: -62.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -752.227071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.227071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.227071 (E_RNA) where: Base-Base interactions energy: -490.777 where: short stacking energy: -240.230 Base-Backbone interact. energy: -1.052 local terms energy: -260.398170 where: bonds (distance) C4'-P energy: -42.863 bonds (distance) P-C4' energy: -50.082 flat angles C4'-P-C4' energy: -59.837 flat angles P-C4'-P energy: -45.811 tors. eta vs tors. theta energy: -61.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -420.831688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.831688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.831688 (E_RNA) where: Base-Base interactions energy: -217.264 where: short stacking energy: -127.487 Base-Backbone interact. energy: 4.028 local terms energy: -207.595632 where: bonds (distance) C4'-P energy: -54.276 bonds (distance) P-C4' energy: -57.995 flat angles C4'-P-C4' energy: -49.313 flat angles P-C4'-P energy: -31.728 tors. eta vs tors. theta energy: -14.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -433.140106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.140106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.140106 (E_RNA) where: Base-Base interactions energy: -221.366 where: short stacking energy: -124.621 Base-Backbone interact. energy: 8.678 local terms energy: -220.452367 where: bonds (distance) C4'-P energy: -68.895 bonds (distance) P-C4' energy: -57.567 flat angles C4'-P-C4' energy: -53.463 flat angles P-C4'-P energy: -20.918 tors. eta vs tors. theta energy: -19.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -267.854660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.854660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.854660 (E_RNA) where: Base-Base interactions energy: -84.468 where: short stacking energy: -68.349 Base-Backbone interact. energy: 2.926 local terms energy: -186.313145 where: bonds (distance) C4'-P energy: -54.024 bonds (distance) P-C4' energy: -60.216 flat angles C4'-P-C4' energy: -39.267 flat angles P-C4'-P energy: -24.699 tors. eta vs tors. theta energy: -8.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1125.793355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.793355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.793355 (E_RNA) where: Base-Base interactions energy: -777.501 where: short stacking energy: -309.254 Base-Backbone interact. energy: -0.424 local terms energy: -347.868212 where: bonds (distance) C4'-P energy: -65.014 bonds (distance) P-C4' energy: -69.324 flat angles C4'-P-C4' energy: -71.087 flat angles P-C4'-P energy: -53.054 tors. eta vs tors. theta energy: -89.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1092.171596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.171596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.171596 (E_RNA) where: Base-Base interactions energy: -763.971 where: short stacking energy: -313.357 Base-Backbone interact. energy: -0.697 local terms energy: -327.504021 where: bonds (distance) C4'-P energy: -52.078 bonds (distance) P-C4' energy: -64.321 flat angles C4'-P-C4' energy: -74.211 flat angles P-C4'-P energy: -49.134 tors. eta vs tors. theta energy: -87.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1073.468380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.468380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.468380 (E_RNA) where: Base-Base interactions energy: -738.541 where: short stacking energy: -315.216 Base-Backbone interact. energy: 0.457 local terms energy: -335.384812 where: bonds (distance) C4'-P energy: -61.498 bonds (distance) P-C4' energy: -62.307 flat angles C4'-P-C4' energy: -72.542 flat angles P-C4'-P energy: -46.657 tors. eta vs tors. theta energy: -92.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -952.437642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.437642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.437642 (E_RNA) where: Base-Base interactions energy: -635.075 where: short stacking energy: -267.209 Base-Backbone interact. energy: -1.495 local terms energy: -315.867634 where: bonds (distance) C4'-P energy: -49.522 bonds (distance) P-C4' energy: -67.197 flat angles C4'-P-C4' energy: -68.407 flat angles P-C4'-P energy: -49.228 tors. eta vs tors. theta energy: -81.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -905.648763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.648763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.648763 (E_RNA) where: Base-Base interactions energy: -635.876 where: short stacking energy: -261.611 Base-Backbone interact. energy: -1.651 local terms energy: -268.121465 where: bonds (distance) C4'-P energy: -48.443 bonds (distance) P-C4' energy: -59.999 flat angles C4'-P-C4' energy: -57.193 flat angles P-C4'-P energy: -35.652 tors. eta vs tors. theta energy: -66.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -831.727134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.727134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.727134 (E_RNA) where: Base-Base interactions energy: -545.385 where: short stacking energy: -266.048 Base-Backbone interact. energy: -1.999 local terms energy: -284.342966 where: bonds (distance) C4'-P energy: -50.987 bonds (distance) P-C4' energy: -54.149 flat angles C4'-P-C4' energy: -61.127 flat angles P-C4'-P energy: -46.114 tors. eta vs tors. theta energy: -71.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -782.582594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.582594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.582594 (E_RNA) where: Base-Base interactions energy: -492.720 where: short stacking energy: -223.052 Base-Backbone interact. energy: -1.242 local terms energy: -288.620970 where: bonds (distance) C4'-P energy: -60.442 bonds (distance) P-C4' energy: -64.371 flat angles C4'-P-C4' energy: -62.217 flat angles P-C4'-P energy: -43.166 tors. eta vs tors. theta energy: -58.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -474.946351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.946351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.946351 (E_RNA) where: Base-Base interactions energy: -274.331 where: short stacking energy: -143.344 Base-Backbone interact. energy: -0.448 local terms energy: -200.167541 where: bonds (distance) C4'-P energy: -55.486 bonds (distance) P-C4' energy: -54.711 flat angles C4'-P-C4' energy: -48.684 flat angles P-C4'-P energy: -25.803 tors. eta vs tors. theta energy: -15.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -462.267730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.267730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.267730 (E_RNA) where: Base-Base interactions energy: -253.336 where: short stacking energy: -122.173 Base-Backbone interact. energy: -3.098 local terms energy: -205.833719 where: bonds (distance) C4'-P energy: -47.780 bonds (distance) P-C4' energy: -62.567 flat angles C4'-P-C4' energy: -52.004 flat angles P-C4'-P energy: -28.913 tors. eta vs tors. theta energy: -14.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -267.841152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.841152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.841152 (E_RNA) where: Base-Base interactions energy: -73.261 where: short stacking energy: -68.634 Base-Backbone interact. energy: -0.460 local terms energy: -194.120146 where: bonds (distance) C4'-P energy: -54.879 bonds (distance) P-C4' energy: -61.179 flat angles C4'-P-C4' energy: -54.083 flat angles P-C4'-P energy: -28.656 tors. eta vs tors. theta energy: 4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1115.654364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.654364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.654364 (E_RNA) where: Base-Base interactions energy: -776.172 where: short stacking energy: -324.807 Base-Backbone interact. energy: 0.998 local terms energy: -340.480201 where: bonds (distance) C4'-P energy: -59.885 bonds (distance) P-C4' energy: -67.636 flat angles C4'-P-C4' energy: -71.467 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -93.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1092.122572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.122572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.122572 (E_RNA) where: Base-Base interactions energy: -762.895 where: short stacking energy: -300.454 Base-Backbone interact. energy: -1.769 local terms energy: -327.458458 where: bonds (distance) C4'-P energy: -63.927 bonds (distance) P-C4' energy: -63.686 flat angles C4'-P-C4' energy: -71.779 flat angles P-C4'-P energy: -46.104 tors. eta vs tors. theta energy: -81.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1063.347870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.347870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.347870 (E_RNA) where: Base-Base interactions energy: -742.177 where: short stacking energy: -324.538 Base-Backbone interact. energy: 4.214 local terms energy: -325.384938 where: bonds (distance) C4'-P energy: -59.930 bonds (distance) P-C4' energy: -64.167 flat angles C4'-P-C4' energy: -60.527 flat angles P-C4'-P energy: -50.511 tors. eta vs tors. theta energy: -90.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -950.964591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.964591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.964591 (E_RNA) where: Base-Base interactions energy: -645.405 where: short stacking energy: -273.038 Base-Backbone interact. energy: -1.257 local terms energy: -304.302693 where: bonds (distance) C4'-P energy: -55.585 bonds (distance) P-C4' energy: -52.408 flat angles C4'-P-C4' energy: -62.380 flat angles P-C4'-P energy: -49.388 tors. eta vs tors. theta energy: -84.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -855.475463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.475463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.475463 (E_RNA) where: Base-Base interactions energy: -556.134 where: short stacking energy: -265.354 Base-Backbone interact. energy: -2.432 local terms energy: -296.908958 where: bonds (distance) C4'-P energy: -56.863 bonds (distance) P-C4' energy: -55.640 flat angles C4'-P-C4' energy: -61.130 flat angles P-C4'-P energy: -48.239 tors. eta vs tors. theta energy: -75.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -870.669436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.669436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.669436 (E_RNA) where: Base-Base interactions energy: -581.199 where: short stacking energy: -252.360 Base-Backbone interact. energy: -2.764 local terms energy: -286.706860 where: bonds (distance) C4'-P energy: -62.461 bonds (distance) P-C4' energy: -69.041 flat angles C4'-P-C4' energy: -60.890 flat angles P-C4'-P energy: -24.066 tors. eta vs tors. theta energy: -70.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -783.535412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.535412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.535412 (E_RNA) where: Base-Base interactions energy: -506.885 where: short stacking energy: -229.202 Base-Backbone interact. energy: -0.194 local terms energy: -276.455601 where: bonds (distance) C4'-P energy: -65.362 bonds (distance) P-C4' energy: -55.876 flat angles C4'-P-C4' energy: -54.564 flat angles P-C4'-P energy: -34.060 tors. eta vs tors. theta energy: -66.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -486.759165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.759165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.759165 (E_RNA) where: Base-Base interactions energy: -256.180 where: short stacking energy: -148.903 Base-Backbone interact. energy: -0.813 local terms energy: -229.766568 where: bonds (distance) C4'-P energy: -57.125 bonds (distance) P-C4' energy: -51.157 flat angles C4'-P-C4' energy: -54.841 flat angles P-C4'-P energy: -38.225 tors. eta vs tors. theta energy: -28.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -482.528862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.528862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.528862 (E_RNA) where: Base-Base interactions energy: -276.321 where: short stacking energy: -141.275 Base-Backbone interact. energy: 1.774 local terms energy: -207.981364 where: bonds (distance) C4'-P energy: -53.467 bonds (distance) P-C4' energy: -66.520 flat angles C4'-P-C4' energy: -43.632 flat angles P-C4'-P energy: -19.790 tors. eta vs tors. theta energy: -24.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -269.636769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.636769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.636769 (E_RNA) where: Base-Base interactions energy: -90.945 where: short stacking energy: -77.441 Base-Backbone interact. energy: -1.183 local terms energy: -177.508571 where: bonds (distance) C4'-P energy: -62.004 bonds (distance) P-C4' energy: -55.568 flat angles C4'-P-C4' energy: -36.882 flat angles P-C4'-P energy: -19.561 tors. eta vs tors. theta energy: -3.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1112.631737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.631737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.631737 (E_RNA) where: Base-Base interactions energy: -763.929 where: short stacking energy: -314.318 Base-Backbone interact. energy: 2.492 local terms energy: -351.195080 where: bonds (distance) C4'-P energy: -59.036 bonds (distance) P-C4' energy: -70.095 flat angles C4'-P-C4' energy: -79.044 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: -97.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1095.864678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.864678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.864678 (E_RNA) where: Base-Base interactions energy: -745.722 where: short stacking energy: -320.779 Base-Backbone interact. energy: -1.680 local terms energy: -348.462487 where: bonds (distance) C4'-P energy: -63.943 bonds (distance) P-C4' energy: -65.681 flat angles C4'-P-C4' energy: -74.579 flat angles P-C4'-P energy: -47.897 tors. eta vs tors. theta energy: -96.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1059.542514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.542514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.542514 (E_RNA) where: Base-Base interactions energy: -751.369 where: short stacking energy: -299.745 Base-Backbone interact. energy: 3.723 local terms energy: -311.896312 where: bonds (distance) C4'-P energy: -63.871 bonds (distance) P-C4' energy: -54.343 flat angles C4'-P-C4' energy: -56.605 flat angles P-C4'-P energy: -51.515 tors. eta vs tors. theta energy: -85.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -964.409975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.409975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.409975 (E_RNA) where: Base-Base interactions energy: -656.773 where: short stacking energy: -285.825 Base-Backbone interact. energy: -1.435 local terms energy: -306.201969 where: bonds (distance) C4'-P energy: -45.175 bonds (distance) P-C4' energy: -59.286 flat angles C4'-P-C4' energy: -69.549 flat angles P-C4'-P energy: -48.806 tors. eta vs tors. theta energy: -83.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -868.506396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.506396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.506396 (E_RNA) where: Base-Base interactions energy: -558.776 where: short stacking energy: -259.784 Base-Backbone interact. energy: -2.479 local terms energy: -307.252247 where: bonds (distance) C4'-P energy: -63.217 bonds (distance) P-C4' energy: -60.276 flat angles C4'-P-C4' energy: -69.172 flat angles P-C4'-P energy: -46.454 tors. eta vs tors. theta energy: -68.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -812.193157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.193157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.193157 (E_RNA) where: Base-Base interactions energy: -543.646 where: short stacking energy: -229.153 Base-Backbone interact. energy: -2.228 local terms energy: -266.319847 where: bonds (distance) C4'-P energy: -64.767 bonds (distance) P-C4' energy: -42.808 flat angles C4'-P-C4' energy: -57.817 flat angles P-C4'-P energy: -38.498 tors. eta vs tors. theta energy: -62.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -754.140719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.140719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.140719 (E_RNA) where: Base-Base interactions energy: -500.336 where: short stacking energy: -243.922 Base-Backbone interact. energy: -1.327 local terms energy: -252.477414 where: bonds (distance) C4'-P energy: -47.053 bonds (distance) P-C4' energy: -50.944 flat angles C4'-P-C4' energy: -57.193 flat angles P-C4'-P energy: -36.097 tors. eta vs tors. theta energy: -61.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -513.671495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.671495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.671495 (E_RNA) where: Base-Base interactions energy: -292.719 where: short stacking energy: -156.799 Base-Backbone interact. energy: -0.514 local terms energy: -220.438205 where: bonds (distance) C4'-P energy: -58.471 bonds (distance) P-C4' energy: -52.631 flat angles C4'-P-C4' energy: -52.333 flat angles P-C4'-P energy: -23.556 tors. eta vs tors. theta energy: -33.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -438.650024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.650024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.650024 (E_RNA) where: Base-Base interactions energy: -231.897 where: short stacking energy: -113.733 Base-Backbone interact. energy: -1.256 local terms energy: -205.496654 where: bonds (distance) C4'-P energy: -53.343 bonds (distance) P-C4' energy: -60.451 flat angles C4'-P-C4' energy: -46.626 flat angles P-C4'-P energy: -32.508 tors. eta vs tors. theta energy: -12.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -266.234090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.234090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.234090 (E_RNA) where: Base-Base interactions energy: -88.517 where: short stacking energy: -83.088 Base-Backbone interact. energy: -1.678 local terms energy: -176.039815 where: bonds (distance) C4'-P energy: -39.786 bonds (distance) P-C4' energy: -64.864 flat angles C4'-P-C4' energy: -43.926 flat angles P-C4'-P energy: -26.203 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1125.767649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.767649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.767649 (E_RNA) where: Base-Base interactions energy: -788.020 where: short stacking energy: -317.661 Base-Backbone interact. energy: 4.064 local terms energy: -341.811103 where: bonds (distance) C4'-P energy: -67.186 bonds (distance) P-C4' energy: -62.944 flat angles C4'-P-C4' energy: -70.163 flat angles P-C4'-P energy: -54.406 tors. eta vs tors. theta energy: -87.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1102.063476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.063476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.063476 (E_RNA) where: Base-Base interactions energy: -763.024 where: short stacking energy: -318.156 Base-Backbone interact. energy: -3.610 local terms energy: -335.430284 where: bonds (distance) C4'-P energy: -57.132 bonds (distance) P-C4' energy: -67.682 flat angles C4'-P-C4' energy: -65.190 flat angles P-C4'-P energy: -52.082 tors. eta vs tors. theta energy: -93.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1035.937999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.937999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.937999 (E_RNA) where: Base-Base interactions energy: -700.974 where: short stacking energy: -298.176 Base-Backbone interact. energy: -1.455 local terms energy: -333.508558 where: bonds (distance) C4'-P energy: -60.989 bonds (distance) P-C4' energy: -73.503 flat angles C4'-P-C4' energy: -69.467 flat angles P-C4'-P energy: -40.051 tors. eta vs tors. theta energy: -89.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -960.254633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.254633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.254633 (E_RNA) where: Base-Base interactions energy: -643.148 where: short stacking energy: -285.728 Base-Backbone interact. energy: -0.982 local terms energy: -316.125202 where: bonds (distance) C4'-P energy: -64.886 bonds (distance) P-C4' energy: -58.163 flat angles C4'-P-C4' energy: -66.912 flat angles P-C4'-P energy: -43.453 tors. eta vs tors. theta energy: -82.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -881.938412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.938412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.938412 (E_RNA) where: Base-Base interactions energy: -604.971 where: short stacking energy: -264.918 Base-Backbone interact. energy: -0.083 local terms energy: -276.884537 where: bonds (distance) C4'-P energy: -56.531 bonds (distance) P-C4' energy: -58.196 flat angles C4'-P-C4' energy: -60.043 flat angles P-C4'-P energy: -31.991 tors. eta vs tors. theta energy: -70.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -801.825439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.825439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.825439 (E_RNA) where: Base-Base interactions energy: -526.528 where: short stacking energy: -249.575 Base-Backbone interact. energy: -0.547 local terms energy: -274.750966 where: bonds (distance) C4'-P energy: -58.326 bonds (distance) P-C4' energy: -45.320 flat angles C4'-P-C4' energy: -59.097 flat angles P-C4'-P energy: -43.300 tors. eta vs tors. theta energy: -68.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -752.958098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.958098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.958098 (E_RNA) where: Base-Base interactions energy: -497.565 where: short stacking energy: -247.063 Base-Backbone interact. energy: -0.789 local terms energy: -254.603835 where: bonds (distance) C4'-P energy: -46.244 bonds (distance) P-C4' energy: -58.223 flat angles C4'-P-C4' energy: -58.062 flat angles P-C4'-P energy: -36.797 tors. eta vs tors. theta energy: -55.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -495.170028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.170028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.170028 (E_RNA) where: Base-Base interactions energy: -291.171 where: short stacking energy: -163.334 Base-Backbone interact. energy: -0.369 local terms energy: -203.630252 where: bonds (distance) C4'-P energy: -51.563 bonds (distance) P-C4' energy: -57.078 flat angles C4'-P-C4' energy: -53.825 flat angles P-C4'-P energy: -26.025 tors. eta vs tors. theta energy: -15.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -360.555696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.555696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.555696 (E_RNA) where: Base-Base interactions energy: -168.059 where: short stacking energy: -106.161 Base-Backbone interact. energy: -1.167 local terms energy: -191.330021 where: bonds (distance) C4'-P energy: -50.723 bonds (distance) P-C4' energy: -56.041 flat angles C4'-P-C4' energy: -51.183 flat angles P-C4'-P energy: -28.452 tors. eta vs tors. theta energy: -4.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -281.154938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.154938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.154938 (E_RNA) where: Base-Base interactions energy: -95.365 where: short stacking energy: -83.565 Base-Backbone interact. energy: 1.636 local terms energy: -187.425883 where: bonds (distance) C4'-P energy: -50.707 bonds (distance) P-C4' energy: -66.841 flat angles C4'-P-C4' energy: -52.684 flat angles P-C4'-P energy: -26.151 tors. eta vs tors. theta energy: 8.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1107.272992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.272992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.272992 (E_RNA) where: Base-Base interactions energy: -775.045 where: short stacking energy: -324.039 Base-Backbone interact. energy: 0.371 local terms energy: -332.599380 where: bonds (distance) C4'-P energy: -55.790 bonds (distance) P-C4' energy: -61.274 flat angles C4'-P-C4' energy: -73.830 flat angles P-C4'-P energy: -43.641 tors. eta vs tors. theta energy: -98.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1107.424859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.424859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.424859 (E_RNA) where: Base-Base interactions energy: -768.781 where: short stacking energy: -324.570 Base-Backbone interact. energy: 4.766 local terms energy: -343.410156 where: bonds (distance) C4'-P energy: -62.154 bonds (distance) P-C4' energy: -59.786 flat angles C4'-P-C4' energy: -71.389 flat angles P-C4'-P energy: -49.110 tors. eta vs tors. theta energy: -100.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1045.786246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.786246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.786246 (E_RNA) where: Base-Base interactions energy: -715.298 where: short stacking energy: -311.399 Base-Backbone interact. energy: -2.367 local terms energy: -328.120954 where: bonds (distance) C4'-P energy: -62.088 bonds (distance) P-C4' energy: -63.464 flat angles C4'-P-C4' energy: -62.259 flat angles P-C4'-P energy: -51.866 tors. eta vs tors. theta energy: -88.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -938.107799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.107799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.107799 (E_RNA) where: Base-Base interactions energy: -632.375 where: short stacking energy: -284.606 Base-Backbone interact. energy: 0.339 local terms energy: -306.071640 where: bonds (distance) C4'-P energy: -50.422 bonds (distance) P-C4' energy: -58.735 flat angles C4'-P-C4' energy: -71.624 flat angles P-C4'-P energy: -44.819 tors. eta vs tors. theta energy: -80.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -843.823925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.823925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.823925 (E_RNA) where: Base-Base interactions energy: -565.946 where: short stacking energy: -247.836 Base-Backbone interact. energy: -1.089 local terms energy: -276.788646 where: bonds (distance) C4'-P energy: -56.320 bonds (distance) P-C4' energy: -53.063 flat angles C4'-P-C4' energy: -60.253 flat angles P-C4'-P energy: -38.144 tors. eta vs tors. theta energy: -69.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -785.015113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.015113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.015113 (E_RNA) where: Base-Base interactions energy: -496.882 where: short stacking energy: -223.376 Base-Backbone interact. energy: -0.949 local terms energy: -287.183725 where: bonds (distance) C4'-P energy: -58.258 bonds (distance) P-C4' energy: -70.077 flat angles C4'-P-C4' energy: -63.751 flat angles P-C4'-P energy: -30.920 tors. eta vs tors. theta energy: -64.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -795.334127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.334127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.334127 (E_RNA) where: Base-Base interactions energy: -510.271 where: short stacking energy: -247.440 Base-Backbone interact. energy: -0.889 local terms energy: -284.174454 where: bonds (distance) C4'-P energy: -52.014 bonds (distance) P-C4' energy: -61.192 flat angles C4'-P-C4' energy: -61.242 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -63.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -515.477002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.477002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.477002 (E_RNA) where: Base-Base interactions energy: -284.383 where: short stacking energy: -161.840 Base-Backbone interact. energy: -1.985 local terms energy: -229.109173 where: bonds (distance) C4'-P energy: -51.692 bonds (distance) P-C4' energy: -50.434 flat angles C4'-P-C4' energy: -54.748 flat angles P-C4'-P energy: -43.163 tors. eta vs tors. theta energy: -29.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -378.122718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.122718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.122718 (E_RNA) where: Base-Base interactions energy: -181.394 where: short stacking energy: -116.067 Base-Backbone interact. energy: -0.484 local terms energy: -196.244391 where: bonds (distance) C4'-P energy: -46.648 bonds (distance) P-C4' energy: -55.053 flat angles C4'-P-C4' energy: -54.804 flat angles P-C4'-P energy: -33.900 tors. eta vs tors. theta energy: -5.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -300.857118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.857118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.857118 (E_RNA) where: Base-Base interactions energy: -112.008 where: short stacking energy: -91.624 Base-Backbone interact. energy: 0.778 local terms energy: -189.627068 where: bonds (distance) C4'-P energy: -56.332 bonds (distance) P-C4' energy: -52.268 flat angles C4'-P-C4' energy: -48.009 flat angles P-C4'-P energy: -31.116 tors. eta vs tors. theta energy: -1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1129.239996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.239996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.239996 (E_RNA) where: Base-Base interactions energy: -795.693 where: short stacking energy: -330.775 Base-Backbone interact. energy: -1.595 local terms energy: -331.951814 where: bonds (distance) C4'-P energy: -61.623 bonds (distance) P-C4' energy: -59.664 flat angles C4'-P-C4' energy: -63.159 flat angles P-C4'-P energy: -53.498 tors. eta vs tors. theta energy: -94.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1085.101256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.101256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.101256 (E_RNA) where: Base-Base interactions energy: -758.200 where: short stacking energy: -292.171 Base-Backbone interact. energy: 2.366 local terms energy: -329.266979 where: bonds (distance) C4'-P energy: -68.982 bonds (distance) P-C4' energy: -66.512 flat angles C4'-P-C4' energy: -65.647 flat angles P-C4'-P energy: -47.109 tors. eta vs tors. theta energy: -81.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1036.722276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.722276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.722276 (E_RNA) where: Base-Base interactions energy: -728.310 where: short stacking energy: -295.825 Base-Backbone interact. energy: -1.808 local terms energy: -306.604153 where: bonds (distance) C4'-P energy: -60.436 bonds (distance) P-C4' energy: -56.484 flat angles C4'-P-C4' energy: -70.501 flat angles P-C4'-P energy: -43.649 tors. eta vs tors. theta energy: -75.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -966.464411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.464411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.464411 (E_RNA) where: Base-Base interactions energy: -655.617 where: short stacking energy: -273.404 Base-Backbone interact. energy: 1.117 local terms energy: -311.964306 where: bonds (distance) C4'-P energy: -53.085 bonds (distance) P-C4' energy: -60.090 flat angles C4'-P-C4' energy: -65.301 flat angles P-C4'-P energy: -50.325 tors. eta vs tors. theta energy: -83.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -856.614559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.614559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.614559 (E_RNA) where: Base-Base interactions energy: -557.759 where: short stacking energy: -239.813 Base-Backbone interact. energy: -0.370 local terms energy: -298.485679 where: bonds (distance) C4'-P energy: -63.526 bonds (distance) P-C4' energy: -62.363 flat angles C4'-P-C4' energy: -52.634 flat angles P-C4'-P energy: -46.422 tors. eta vs tors. theta energy: -73.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -779.352817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.352817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.352817 (E_RNA) where: Base-Base interactions energy: -492.327 where: short stacking energy: -222.154 Base-Backbone interact. energy: -0.294 local terms energy: -286.732093 where: bonds (distance) C4'-P energy: -56.970 bonds (distance) P-C4' energy: -62.048 flat angles C4'-P-C4' energy: -57.745 flat angles P-C4'-P energy: -50.895 tors. eta vs tors. theta energy: -59.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -775.439061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.439061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.439061 (E_RNA) where: Base-Base interactions energy: -512.695 where: short stacking energy: -239.486 Base-Backbone interact. energy: -0.940 local terms energy: -261.804272 where: bonds (distance) C4'-P energy: -55.940 bonds (distance) P-C4' energy: -54.305 flat angles C4'-P-C4' energy: -57.702 flat angles P-C4'-P energy: -34.994 tors. eta vs tors. theta energy: -58.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -494.140612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.140612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.140612 (E_RNA) where: Base-Base interactions energy: -269.248 where: short stacking energy: -154.148 Base-Backbone interact. energy: -0.118 local terms energy: -224.774124 where: bonds (distance) C4'-P energy: -48.604 bonds (distance) P-C4' energy: -62.367 flat angles C4'-P-C4' energy: -49.303 flat angles P-C4'-P energy: -36.855 tors. eta vs tors. theta energy: -27.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -406.319361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.319361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.319361 (E_RNA) where: Base-Base interactions energy: -220.299 where: short stacking energy: -137.696 Base-Backbone interact. energy: 3.474 local terms energy: -189.494936 where: bonds (distance) C4'-P energy: -55.879 bonds (distance) P-C4' energy: -57.078 flat angles C4'-P-C4' energy: -57.714 flat angles P-C4'-P energy: -14.334 tors. eta vs tors. theta energy: -4.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -263.118539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.118539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.118539 (E_RNA) where: Base-Base interactions energy: -88.695 where: short stacking energy: -79.161 Base-Backbone interact. energy: 1.527 local terms energy: -175.950935 where: bonds (distance) C4'-P energy: -64.403 bonds (distance) P-C4' energy: -52.983 flat angles C4'-P-C4' energy: -53.313 flat angles P-C4'-P energy: -16.194 tors. eta vs tors. theta energy: 10.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1117.613932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.613932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.613932 (E_RNA) where: Base-Base interactions energy: -775.834 where: short stacking energy: -320.269 Base-Backbone interact. energy: 1.192 local terms energy: -342.971904 where: bonds (distance) C4'-P energy: -68.930 bonds (distance) P-C4' energy: -72.223 flat angles C4'-P-C4' energy: -65.715 flat angles P-C4'-P energy: -42.442 tors. eta vs tors. theta energy: -93.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1089.935060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.935060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.935060 (E_RNA) where: Base-Base interactions energy: -760.043 where: short stacking energy: -300.096 Base-Backbone interact. energy: 3.883 local terms energy: -333.774327 where: bonds (distance) C4'-P energy: -68.351 bonds (distance) P-C4' energy: -63.603 flat angles C4'-P-C4' energy: -74.272 flat angles P-C4'-P energy: -40.033 tors. eta vs tors. theta energy: -87.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1036.566411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.566411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.566411 (E_RNA) where: Base-Base interactions energy: -719.749 where: short stacking energy: -289.668 Base-Backbone interact. energy: -1.660 local terms energy: -315.157920 where: bonds (distance) C4'-P energy: -65.747 bonds (distance) P-C4' energy: -56.977 flat angles C4'-P-C4' energy: -67.067 flat angles P-C4'-P energy: -44.038 tors. eta vs tors. theta energy: -81.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -951.699138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.699138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.699138 (E_RNA) where: Base-Base interactions energy: -631.758 where: short stacking energy: -295.104 Base-Backbone interact. energy: -2.644 local terms energy: -317.296515 where: bonds (distance) C4'-P energy: -61.704 bonds (distance) P-C4' energy: -69.086 flat angles C4'-P-C4' energy: -68.314 flat angles P-C4'-P energy: -40.513 tors. eta vs tors. theta energy: -77.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -876.592933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.592933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.592933 (E_RNA) where: Base-Base interactions energy: -580.073 where: short stacking energy: -255.831 Base-Backbone interact. energy: 1.385 local terms energy: -297.905244 where: bonds (distance) C4'-P energy: -61.092 bonds (distance) P-C4' energy: -57.363 flat angles C4'-P-C4' energy: -58.530 flat angles P-C4'-P energy: -47.478 tors. eta vs tors. theta energy: -73.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -787.106784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.106784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.106784 (E_RNA) where: Base-Base interactions energy: -520.592 where: short stacking energy: -215.308 Base-Backbone interact. energy: -0.382 local terms energy: -266.132681 where: bonds (distance) C4'-P energy: -47.622 bonds (distance) P-C4' energy: -61.101 flat angles C4'-P-C4' energy: -68.093 flat angles P-C4'-P energy: -33.300 tors. eta vs tors. theta energy: -56.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -763.243500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.243500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.243500 (E_RNA) where: Base-Base interactions energy: -491.106 where: short stacking energy: -222.976 Base-Backbone interact. energy: -0.461 local terms energy: -271.676671 where: bonds (distance) C4'-P energy: -53.547 bonds (distance) P-C4' energy: -49.011 flat angles C4'-P-C4' energy: -59.475 flat angles P-C4'-P energy: -47.935 tors. eta vs tors. theta energy: -61.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -486.806621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.806621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.806621 (E_RNA) where: Base-Base interactions energy: -277.839 where: short stacking energy: -147.907 Base-Backbone interact. energy: -1.638 local terms energy: -207.329733 where: bonds (distance) C4'-P energy: -51.463 bonds (distance) P-C4' energy: -46.626 flat angles C4'-P-C4' energy: -59.837 flat angles P-C4'-P energy: -33.463 tors. eta vs tors. theta energy: -15.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -414.210541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.210541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.210541 (E_RNA) where: Base-Base interactions energy: -199.145 where: short stacking energy: -121.726 Base-Backbone interact. energy: 1.759 local terms energy: -216.825018 where: bonds (distance) C4'-P energy: -45.617 bonds (distance) P-C4' energy: -61.777 flat angles C4'-P-C4' energy: -55.811 flat angles P-C4'-P energy: -40.069 tors. eta vs tors. theta energy: -13.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -256.977389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.977389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.977389 (E_RNA) where: Base-Base interactions energy: -84.329 where: short stacking energy: -73.665 Base-Backbone interact. energy: -1.566 local terms energy: -171.082252 where: bonds (distance) C4'-P energy: -55.553 bonds (distance) P-C4' energy: -53.176 flat angles C4'-P-C4' energy: -42.226 flat angles P-C4'-P energy: -27.552 tors. eta vs tors. theta energy: 7.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1108.585789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.585789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.585789 (E_RNA) where: Base-Base interactions energy: -772.157 where: short stacking energy: -307.085 Base-Backbone interact. energy: 5.130 local terms energy: -341.558535 where: bonds (distance) C4'-P energy: -61.518 bonds (distance) P-C4' energy: -66.862 flat angles C4'-P-C4' energy: -76.785 flat angles P-C4'-P energy: -46.698 tors. eta vs tors. theta energy: -89.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1100.469726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.469726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.469726 (E_RNA) where: Base-Base interactions energy: -750.374 where: short stacking energy: -316.218 Base-Backbone interact. energy: -1.972 local terms energy: -348.123481 where: bonds (distance) C4'-P energy: -73.727 bonds (distance) P-C4' energy: -62.390 flat angles C4'-P-C4' energy: -65.262 flat angles P-C4'-P energy: -51.779 tors. eta vs tors. theta energy: -94.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1050.479012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.479012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.479012 (E_RNA) where: Base-Base interactions energy: -723.459 where: short stacking energy: -310.034 Base-Backbone interact. energy: -2.022 local terms energy: -324.998274 where: bonds (distance) C4'-P energy: -60.212 bonds (distance) P-C4' energy: -63.642 flat angles C4'-P-C4' energy: -70.944 flat angles P-C4'-P energy: -43.467 tors. eta vs tors. theta energy: -86.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -963.728099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.728099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.728099 (E_RNA) where: Base-Base interactions energy: -642.654 where: short stacking energy: -274.882 Base-Backbone interact. energy: -1.803 local terms energy: -319.271324 where: bonds (distance) C4'-P energy: -50.357 bonds (distance) P-C4' energy: -59.945 flat angles C4'-P-C4' energy: -72.299 flat angles P-C4'-P energy: -49.794 tors. eta vs tors. theta energy: -86.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -855.877079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.877079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.877079 (E_RNA) where: Base-Base interactions energy: -567.545 where: short stacking energy: -243.315 Base-Backbone interact. energy: -0.262 local terms energy: -288.070004 where: bonds (distance) C4'-P energy: -59.186 bonds (distance) P-C4' energy: -65.933 flat angles C4'-P-C4' energy: -54.038 flat angles P-C4'-P energy: -37.767 tors. eta vs tors. theta energy: -71.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -801.099570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.099570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.099570 (E_RNA) where: Base-Base interactions energy: -527.861 where: short stacking energy: -234.488 Base-Backbone interact. energy: -1.699 local terms energy: -271.539329 where: bonds (distance) C4'-P energy: -42.153 bonds (distance) P-C4' energy: -56.217 flat angles C4'-P-C4' energy: -72.183 flat angles P-C4'-P energy: -40.035 tors. eta vs tors. theta energy: -60.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -777.521521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.521521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.521521 (E_RNA) where: Base-Base interactions energy: -516.561 where: short stacking energy: -243.655 Base-Backbone interact. energy: -0.076 local terms energy: -260.884087 where: bonds (distance) C4'-P energy: -50.878 bonds (distance) P-C4' energy: -52.392 flat angles C4'-P-C4' energy: -66.142 flat angles P-C4'-P energy: -31.257 tors. eta vs tors. theta energy: -60.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -479.320895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.320895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.320895 (E_RNA) where: Base-Base interactions energy: -263.786 where: short stacking energy: -148.970 Base-Backbone interact. energy: -1.098 local terms energy: -214.437436 where: bonds (distance) C4'-P energy: -54.315 bonds (distance) P-C4' energy: -62.332 flat angles C4'-P-C4' energy: -43.965 flat angles P-C4'-P energy: -29.678 tors. eta vs tors. theta energy: -24.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -448.728847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.728847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.728847 (E_RNA) where: Base-Base interactions energy: -236.950 where: short stacking energy: -159.991 Base-Backbone interact. energy: -1.229 local terms energy: -210.550623 where: bonds (distance) C4'-P energy: -54.507 bonds (distance) P-C4' energy: -47.771 flat angles C4'-P-C4' energy: -49.068 flat angles P-C4'-P energy: -28.591 tors. eta vs tors. theta energy: -30.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -257.081895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.081895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.081895 (E_RNA) where: Base-Base interactions energy: -80.624 where: short stacking energy: -70.615 Base-Backbone interact. energy: 0.078 local terms energy: -176.535740 where: bonds (distance) C4'-P energy: -63.372 bonds (distance) P-C4' energy: -50.089 flat angles C4'-P-C4' energy: -50.109 flat angles P-C4'-P energy: -18.086 tors. eta vs tors. theta energy: 5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1126.084456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.084456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.084456 (E_RNA) where: Base-Base interactions energy: -783.255 where: short stacking energy: -335.655 Base-Backbone interact. energy: -1.435 local terms energy: -341.394667 where: bonds (distance) C4'-P energy: -65.569 bonds (distance) P-C4' energy: -65.099 flat angles C4'-P-C4' energy: -70.060 flat angles P-C4'-P energy: -49.046 tors. eta vs tors. theta energy: -91.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1126.254815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.254815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.254815 (E_RNA) where: Base-Base interactions energy: -788.168 where: short stacking energy: -336.880 Base-Backbone interact. energy: -2.249 local terms energy: -335.837385 where: bonds (distance) C4'-P energy: -61.635 bonds (distance) P-C4' energy: -59.595 flat angles C4'-P-C4' energy: -68.593 flat angles P-C4'-P energy: -47.812 tors. eta vs tors. theta energy: -98.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1041.710086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.710086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.710086 (E_RNA) where: Base-Base interactions energy: -736.876 where: short stacking energy: -292.171 Base-Backbone interact. energy: -2.332 local terms energy: -302.501692 where: bonds (distance) C4'-P energy: -56.767 bonds (distance) P-C4' energy: -61.223 flat angles C4'-P-C4' energy: -66.210 flat angles P-C4'-P energy: -44.542 tors. eta vs tors. theta energy: -73.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -945.099044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.099044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.099044 (E_RNA) where: Base-Base interactions energy: -625.336 where: short stacking energy: -277.600 Base-Backbone interact. energy: -2.113 local terms energy: -317.649557 where: bonds (distance) C4'-P energy: -52.285 bonds (distance) P-C4' energy: -72.174 flat angles C4'-P-C4' energy: -60.520 flat angles P-C4'-P energy: -44.953 tors. eta vs tors. theta energy: -87.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -864.358625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.358625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.358625 (E_RNA) where: Base-Base interactions energy: -568.029 where: short stacking energy: -252.262 Base-Backbone interact. energy: 0.106 local terms energy: -296.436326 where: bonds (distance) C4'-P energy: -57.638 bonds (distance) P-C4' energy: -57.152 flat angles C4'-P-C4' energy: -67.581 flat angles P-C4'-P energy: -44.238 tors. eta vs tors. theta energy: -69.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -783.255937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.255937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.255937 (E_RNA) where: Base-Base interactions energy: -513.626 where: short stacking energy: -246.206 Base-Backbone interact. energy: -0.842 local terms energy: -268.787726 where: bonds (distance) C4'-P energy: -55.120 bonds (distance) P-C4' energy: -49.559 flat angles C4'-P-C4' energy: -56.682 flat angles P-C4'-P energy: -43.570 tors. eta vs tors. theta energy: -63.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -759.787556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.787556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.787556 (E_RNA) where: Base-Base interactions energy: -473.803 where: short stacking energy: -239.081 Base-Backbone interact. energy: -0.215 local terms energy: -285.769624 where: bonds (distance) C4'-P energy: -62.858 bonds (distance) P-C4' energy: -67.531 flat angles C4'-P-C4' energy: -56.714 flat angles P-C4'-P energy: -42.827 tors. eta vs tors. theta energy: -55.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -492.575742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.575742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.575742 (E_RNA) where: Base-Base interactions energy: -278.138 where: short stacking energy: -147.959 Base-Backbone interact. energy: -0.663 local terms energy: -213.774231 where: bonds (distance) C4'-P energy: -51.654 bonds (distance) P-C4' energy: -57.076 flat angles C4'-P-C4' energy: -48.423 flat angles P-C4'-P energy: -28.635 tors. eta vs tors. theta energy: -27.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -458.852044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.852044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.852044 (E_RNA) where: Base-Base interactions energy: -267.450 where: short stacking energy: -157.360 Base-Backbone interact. energy: 0.745 local terms energy: -192.146627 where: bonds (distance) C4'-P energy: -53.931 bonds (distance) P-C4' energy: -59.203 flat angles C4'-P-C4' energy: -36.453 flat angles P-C4'-P energy: -24.047 tors. eta vs tors. theta energy: -18.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -267.640588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.640588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.640588 (E_RNA) where: Base-Base interactions energy: -85.219 where: short stacking energy: -73.215 Base-Backbone interact. energy: -0.568 local terms energy: -181.853227 where: bonds (distance) C4'-P energy: -49.301 bonds (distance) P-C4' energy: -60.019 flat angles C4'-P-C4' energy: -49.415 flat angles P-C4'-P energy: -32.884 tors. eta vs tors. theta energy: 9.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1099.122444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.122444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.122444 (E_RNA) where: Base-Base interactions energy: -746.487 where: short stacking energy: -301.851 Base-Backbone interact. energy: -1.881 local terms energy: -350.754104 where: bonds (distance) C4'-P energy: -64.778 bonds (distance) P-C4' energy: -60.263 flat angles C4'-P-C4' energy: -76.597 flat angles P-C4'-P energy: -53.421 tors. eta vs tors. theta energy: -95.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1085.318698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.318698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.318698 (E_RNA) where: Base-Base interactions energy: -746.816 where: short stacking energy: -307.342 Base-Backbone interact. energy: -2.558 local terms energy: -335.944216 where: bonds (distance) C4'-P energy: -59.748 bonds (distance) P-C4' energy: -65.633 flat angles C4'-P-C4' energy: -71.335 flat angles P-C4'-P energy: -45.821 tors. eta vs tors. theta energy: -93.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1035.314213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.314213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.314213 (E_RNA) where: Base-Base interactions energy: -727.405 where: short stacking energy: -315.010 Base-Backbone interact. energy: -0.805 local terms energy: -307.104384 where: bonds (distance) C4'-P energy: -49.973 bonds (distance) P-C4' energy: -47.939 flat angles C4'-P-C4' energy: -71.116 flat angles P-C4'-P energy: -52.015 tors. eta vs tors. theta energy: -86.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -969.841852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.841852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.841852 (E_RNA) where: Base-Base interactions energy: -653.002 where: short stacking energy: -272.233 Base-Backbone interact. energy: 0.191 local terms energy: -317.030758 where: bonds (distance) C4'-P energy: -49.143 bonds (distance) P-C4' energy: -63.603 flat angles C4'-P-C4' energy: -73.826 flat angles P-C4'-P energy: -49.226 tors. eta vs tors. theta energy: -81.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -825.791922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.791922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.791922 (E_RNA) where: Base-Base interactions energy: -539.516 where: short stacking energy: -261.333 Base-Backbone interact. energy: -0.595 local terms energy: -285.681391 where: bonds (distance) C4'-P energy: -54.784 bonds (distance) P-C4' energy: -63.708 flat angles C4'-P-C4' energy: -68.386 flat angles P-C4'-P energy: -32.654 tors. eta vs tors. theta energy: -66.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -799.202521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.202521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.202521 (E_RNA) where: Base-Base interactions energy: -527.636 where: short stacking energy: -235.287 Base-Backbone interact. energy: -1.543 local terms energy: -270.023167 where: bonds (distance) C4'-P energy: -50.791 bonds (distance) P-C4' energy: -51.959 flat angles C4'-P-C4' energy: -71.798 flat angles P-C4'-P energy: -37.747 tors. eta vs tors. theta energy: -57.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -798.039317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.039317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.039317 (E_RNA) where: Base-Base interactions energy: -535.411 where: short stacking energy: -235.202 Base-Backbone interact. energy: -0.448 local terms energy: -262.180137 where: bonds (distance) C4'-P energy: -61.565 bonds (distance) P-C4' energy: -47.100 flat angles C4'-P-C4' energy: -57.068 flat angles P-C4'-P energy: -30.754 tors. eta vs tors. theta energy: -65.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -472.153795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.153795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.153795 (E_RNA) where: Base-Base interactions energy: -257.231 where: short stacking energy: -148.310 Base-Backbone interact. energy: -0.709 local terms energy: -214.213350 where: bonds (distance) C4'-P energy: -52.046 bonds (distance) P-C4' energy: -52.698 flat angles C4'-P-C4' energy: -62.720 flat angles P-C4'-P energy: -27.624 tors. eta vs tors. theta energy: -19.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -429.467550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.467550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.467550 (E_RNA) where: Base-Base interactions energy: -222.240 where: short stacking energy: -122.372 Base-Backbone interact. energy: -0.620 local terms energy: -206.607043 where: bonds (distance) C4'-P energy: -49.765 bonds (distance) P-C4' energy: -51.121 flat angles C4'-P-C4' energy: -65.945 flat angles P-C4'-P energy: -24.691 tors. eta vs tors. theta energy: -15.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -272.941686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.941686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.941686 (E_RNA) where: Base-Base interactions energy: -100.948 where: short stacking energy: -68.703 Base-Backbone interact. energy: 0.337 local terms energy: -172.330184 where: bonds (distance) C4'-P energy: -56.366 bonds (distance) P-C4' energy: -43.401 flat angles C4'-P-C4' energy: -46.189 flat angles P-C4'-P energy: -31.277 tors. eta vs tors. theta energy: 4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1106.850600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.850600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.850600 (E_RNA) where: Base-Base interactions energy: -760.001 where: short stacking energy: -327.392 Base-Backbone interact. energy: 1.855 local terms energy: -348.704145 where: bonds (distance) C4'-P energy: -59.718 bonds (distance) P-C4' energy: -68.903 flat angles C4'-P-C4' energy: -71.197 flat angles P-C4'-P energy: -49.603 tors. eta vs tors. theta energy: -99.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1071.482032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.482032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.482032 (E_RNA) where: Base-Base interactions energy: -740.080 where: short stacking energy: -284.510 Base-Backbone interact. energy: -2.584 local terms energy: -328.817724 where: bonds (distance) C4'-P energy: -63.580 bonds (distance) P-C4' energy: -66.818 flat angles C4'-P-C4' energy: -66.091 flat angles P-C4'-P energy: -44.593 tors. eta vs tors. theta energy: -87.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1057.071114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.071114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.071114 (E_RNA) where: Base-Base interactions energy: -727.071 where: short stacking energy: -285.397 Base-Backbone interact. energy: -2.570 local terms energy: -327.430221 where: bonds (distance) C4'-P energy: -57.269 bonds (distance) P-C4' energy: -65.659 flat angles C4'-P-C4' energy: -73.444 flat angles P-C4'-P energy: -43.162 tors. eta vs tors. theta energy: -87.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -926.023111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.023111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.023111 (E_RNA) where: Base-Base interactions energy: -603.810 where: short stacking energy: -255.740 Base-Backbone interact. energy: -1.050 local terms energy: -321.163858 where: bonds (distance) C4'-P energy: -72.389 bonds (distance) P-C4' energy: -62.787 flat angles C4'-P-C4' energy: -62.346 flat angles P-C4'-P energy: -44.525 tors. eta vs tors. theta energy: -79.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -833.486258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.486258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.486258 (E_RNA) where: Base-Base interactions energy: -552.333 where: short stacking energy: -246.077 Base-Backbone interact. energy: 1.028 local terms energy: -282.181391 where: bonds (distance) C4'-P energy: -48.360 bonds (distance) P-C4' energy: -57.110 flat angles C4'-P-C4' energy: -64.918 flat angles P-C4'-P energy: -51.178 tors. eta vs tors. theta energy: -60.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -819.720417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.720417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.720417 (E_RNA) where: Base-Base interactions energy: -536.063 where: short stacking energy: -224.730 Base-Backbone interact. energy: 3.431 local terms energy: -287.088478 where: bonds (distance) C4'-P energy: -66.662 bonds (distance) P-C4' energy: -58.156 flat angles C4'-P-C4' energy: -70.820 flat angles P-C4'-P energy: -40.217 tors. eta vs tors. theta energy: -51.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -766.721951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.721951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.721951 (E_RNA) where: Base-Base interactions energy: -507.060 where: short stacking energy: -212.538 Base-Backbone interact. energy: -0.114 local terms energy: -259.547846 where: bonds (distance) C4'-P energy: -48.330 bonds (distance) P-C4' energy: -60.118 flat angles C4'-P-C4' energy: -61.119 flat angles P-C4'-P energy: -26.303 tors. eta vs tors. theta energy: -63.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -506.879754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.879754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.879754 (E_RNA) where: Base-Base interactions energy: -285.640 where: short stacking energy: -146.189 Base-Backbone interact. energy: -2.161 local terms energy: -219.079054 where: bonds (distance) C4'-P energy: -53.321 bonds (distance) P-C4' energy: -52.481 flat angles C4'-P-C4' energy: -60.727 flat angles P-C4'-P energy: -28.521 tors. eta vs tors. theta energy: -24.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -381.695927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.695927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.695927 (E_RNA) where: Base-Base interactions energy: -179.457 where: short stacking energy: -106.368 Base-Backbone interact. energy: -0.715 local terms energy: -201.524171 where: bonds (distance) C4'-P energy: -67.945 bonds (distance) P-C4' energy: -56.751 flat angles C4'-P-C4' energy: -35.051 flat angles P-C4'-P energy: -27.089 tors. eta vs tors. theta energy: -14.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -300.987195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.987195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.987195 (E_RNA) where: Base-Base interactions energy: -125.654 where: short stacking energy: -97.236 Base-Backbone interact. energy: -0.492 local terms energy: -174.840518 where: bonds (distance) C4'-P energy: -50.141 bonds (distance) P-C4' energy: -53.390 flat angles C4'-P-C4' energy: -49.028 flat angles P-C4'-P energy: -19.285 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1108.163129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.163129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.163129 (E_RNA) where: Base-Base interactions energy: -766.897 where: short stacking energy: -313.452 Base-Backbone interact. energy: -1.470 local terms energy: -339.795853 where: bonds (distance) C4'-P energy: -59.249 bonds (distance) P-C4' energy: -63.746 flat angles C4'-P-C4' energy: -71.815 flat angles P-C4'-P energy: -53.433 tors. eta vs tors. theta energy: -91.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1075.634281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.634281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.634281 (E_RNA) where: Base-Base interactions energy: -741.809 where: short stacking energy: -294.683 Base-Backbone interact. energy: -2.406 local terms energy: -331.419194 where: bonds (distance) C4'-P energy: -66.619 bonds (distance) P-C4' energy: -66.901 flat angles C4'-P-C4' energy: -71.126 flat angles P-C4'-P energy: -44.660 tors. eta vs tors. theta energy: -82.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1061.293227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.293227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.293227 (E_RNA) where: Base-Base interactions energy: -715.788 where: short stacking energy: -292.681 Base-Backbone interact. energy: -2.263 local terms energy: -343.242024 where: bonds (distance) C4'-P energy: -63.426 bonds (distance) P-C4' energy: -69.355 flat angles C4'-P-C4' energy: -80.515 flat angles P-C4'-P energy: -45.198 tors. eta vs tors. theta energy: -84.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -927.785983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.785983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.785983 (E_RNA) where: Base-Base interactions energy: -621.508 where: short stacking energy: -287.206 Base-Backbone interact. energy: -2.485 local terms energy: -303.792842 where: bonds (distance) C4'-P energy: -49.950 bonds (distance) P-C4' energy: -64.765 flat angles C4'-P-C4' energy: -66.526 flat angles P-C4'-P energy: -40.081 tors. eta vs tors. theta energy: -82.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -850.516006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.516006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.516006 (E_RNA) where: Base-Base interactions energy: -563.194 where: short stacking energy: -237.044 Base-Backbone interact. energy: -0.961 local terms energy: -286.361196 where: bonds (distance) C4'-P energy: -59.209 bonds (distance) P-C4' energy: -56.046 flat angles C4'-P-C4' energy: -70.786 flat angles P-C4'-P energy: -39.605 tors. eta vs tors. theta energy: -60.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -808.621216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.621216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.621216 (E_RNA) where: Base-Base interactions energy: -517.881 where: short stacking energy: -248.382 Base-Backbone interact. energy: 0.776 local terms energy: -291.515757 where: bonds (distance) C4'-P energy: -56.188 bonds (distance) P-C4' energy: -52.867 flat angles C4'-P-C4' energy: -69.681 flat angles P-C4'-P energy: -47.577 tors. eta vs tors. theta energy: -65.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -796.801997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.801997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.801997 (E_RNA) where: Base-Base interactions energy: -542.256 where: short stacking energy: -242.215 Base-Backbone interact. energy: -1.159 local terms energy: -253.386960 where: bonds (distance) C4'-P energy: -31.808 bonds (distance) P-C4' energy: -53.470 flat angles C4'-P-C4' energy: -66.797 flat angles P-C4'-P energy: -37.354 tors. eta vs tors. theta energy: -63.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -470.217340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.217340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.217340 (E_RNA) where: Base-Base interactions energy: -248.793 where: short stacking energy: -130.929 Base-Backbone interact. energy: -1.052 local terms energy: -220.373323 where: bonds (distance) C4'-P energy: -53.481 bonds (distance) P-C4' energy: -60.510 flat angles C4'-P-C4' energy: -55.772 flat angles P-C4'-P energy: -37.179 tors. eta vs tors. theta energy: -13.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -413.323318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.323318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.323318 (E_RNA) where: Base-Base interactions energy: -210.666 where: short stacking energy: -133.801 Base-Backbone interact. energy: -0.871 local terms energy: -201.786642 where: bonds (distance) C4'-P energy: -41.478 bonds (distance) P-C4' energy: -59.365 flat angles C4'-P-C4' energy: -52.821 flat angles P-C4'-P energy: -31.538 tors. eta vs tors. theta energy: -16.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -264.455731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.455731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.455731 (E_RNA) where: Base-Base interactions energy: -90.958 where: short stacking energy: -82.335 Base-Backbone interact. energy: -0.763 local terms energy: -172.734978 where: bonds (distance) C4'-P energy: -48.870 bonds (distance) P-C4' energy: -55.992 flat angles C4'-P-C4' energy: -41.196 flat angles P-C4'-P energy: -26.892 tors. eta vs tors. theta energy: 0.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1111.824073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.824073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.824073 (E_RNA) where: Base-Base interactions energy: -768.339 where: short stacking energy: -316.079 Base-Backbone interact. energy: 0.865 local terms energy: -344.350062 where: bonds (distance) C4'-P energy: -64.394 bonds (distance) P-C4' energy: -64.941 flat angles C4'-P-C4' energy: -74.942 flat angles P-C4'-P energy: -52.716 tors. eta vs tors. theta energy: -87.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1082.649786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.649786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.649786 (E_RNA) where: Base-Base interactions energy: -757.836 where: short stacking energy: -304.270 Base-Backbone interact. energy: -1.310 local terms energy: -323.503517 where: bonds (distance) C4'-P energy: -60.099 bonds (distance) P-C4' energy: -67.661 flat angles C4'-P-C4' energy: -69.033 flat angles P-C4'-P energy: -38.108 tors. eta vs tors. theta energy: -88.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1073.421373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.421373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.421373 (E_RNA) where: Base-Base interactions energy: -741.787 where: short stacking energy: -313.008 Base-Backbone interact. energy: 3.472 local terms energy: -335.106322 where: bonds (distance) C4'-P energy: -54.480 bonds (distance) P-C4' energy: -62.389 flat angles C4'-P-C4' energy: -76.533 flat angles P-C4'-P energy: -47.765 tors. eta vs tors. theta energy: -93.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -946.675297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.675297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.675297 (E_RNA) where: Base-Base interactions energy: -619.156 where: short stacking energy: -277.434 Base-Backbone interact. energy: -1.472 local terms energy: -326.047089 where: bonds (distance) C4'-P energy: -61.025 bonds (distance) P-C4' energy: -69.723 flat angles C4'-P-C4' energy: -69.138 flat angles P-C4'-P energy: -38.878 tors. eta vs tors. theta energy: -87.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -846.946545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.946545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.946545 (E_RNA) where: Base-Base interactions energy: -553.849 where: short stacking energy: -220.040 Base-Backbone interact. energy: 0.125 local terms energy: -293.223219 where: bonds (distance) C4'-P energy: -65.339 bonds (distance) P-C4' energy: -64.149 flat angles C4'-P-C4' energy: -62.056 flat angles P-C4'-P energy: -37.597 tors. eta vs tors. theta energy: -64.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -792.635035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.635035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.635035 (E_RNA) where: Base-Base interactions energy: -511.200 where: short stacking energy: -243.458 Base-Backbone interact. energy: -1.981 local terms energy: -279.454141 where: bonds (distance) C4'-P energy: -61.366 bonds (distance) P-C4' energy: -50.215 flat angles C4'-P-C4' energy: -59.693 flat angles P-C4'-P energy: -46.018 tors. eta vs tors. theta energy: -62.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -770.165661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.165661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.165661 (E_RNA) where: Base-Base interactions energy: -508.414 where: short stacking energy: -231.362 Base-Backbone interact. energy: 2.618 local terms energy: -264.369305 where: bonds (distance) C4'-P energy: -55.989 bonds (distance) P-C4' energy: -46.143 flat angles C4'-P-C4' energy: -62.537 flat angles P-C4'-P energy: -42.111 tors. eta vs tors. theta energy: -57.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -411.969621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.969621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.969621 (E_RNA) where: Base-Base interactions energy: -211.597 where: short stacking energy: -124.205 Base-Backbone interact. energy: -2.003 local terms energy: -198.369339 where: bonds (distance) C4'-P energy: -53.891 bonds (distance) P-C4' energy: -54.082 flat angles C4'-P-C4' energy: -37.169 flat angles P-C4'-P energy: -32.042 tors. eta vs tors. theta energy: -21.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -444.716454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.716454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.716454 (E_RNA) where: Base-Base interactions energy: -238.235 where: short stacking energy: -123.105 Base-Backbone interact. energy: 1.966 local terms energy: -208.447624 where: bonds (distance) C4'-P energy: -54.812 bonds (distance) P-C4' energy: -58.832 flat angles C4'-P-C4' energy: -53.953 flat angles P-C4'-P energy: -32.497 tors. eta vs tors. theta energy: -8.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -265.468494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.468494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.468494 (E_RNA) where: Base-Base interactions energy: -84.968 where: short stacking energy: -78.285 Base-Backbone interact. energy: -0.300 local terms energy: -180.200895 where: bonds (distance) C4'-P energy: -58.544 bonds (distance) P-C4' energy: -51.902 flat angles C4'-P-C4' energy: -51.380 flat angles P-C4'-P energy: -17.728 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1089.552545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.552545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.552545 (E_RNA) where: Base-Base interactions energy: -761.775 where: short stacking energy: -305.150 Base-Backbone interact. energy: 0.203 local terms energy: -327.980854 where: bonds (distance) C4'-P energy: -68.732 bonds (distance) P-C4' energy: -64.778 flat angles C4'-P-C4' energy: -63.042 flat angles P-C4'-P energy: -47.309 tors. eta vs tors. theta energy: -84.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1074.609822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.609822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.609822 (E_RNA) where: Base-Base interactions energy: -758.983 where: short stacking energy: -302.057 Base-Backbone interact. energy: -2.375 local terms energy: -313.252079 where: bonds (distance) C4'-P energy: -68.125 bonds (distance) P-C4' energy: -49.778 flat angles C4'-P-C4' energy: -67.041 flat angles P-C4'-P energy: -39.560 tors. eta vs tors. theta energy: -88.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1078.869602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.869602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.869602 (E_RNA) where: Base-Base interactions energy: -756.429 where: short stacking energy: -307.800 Base-Backbone interact. energy: 4.635 local terms energy: -327.075188 where: bonds (distance) C4'-P energy: -55.712 bonds (distance) P-C4' energy: -59.161 flat angles C4'-P-C4' energy: -73.295 flat angles P-C4'-P energy: -52.309 tors. eta vs tors. theta energy: -86.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -945.244242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.244242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.244242 (E_RNA) where: Base-Base interactions energy: -622.185 where: short stacking energy: -272.642 Base-Backbone interact. energy: -0.738 local terms energy: -322.320843 where: bonds (distance) C4'-P energy: -64.777 bonds (distance) P-C4' energy: -60.138 flat angles C4'-P-C4' energy: -72.077 flat angles P-C4'-P energy: -43.960 tors. eta vs tors. theta energy: -81.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -871.134001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.134001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.134001 (E_RNA) where: Base-Base interactions energy: -570.782 where: short stacking energy: -240.613 Base-Backbone interact. energy: -1.105 local terms energy: -299.247384 where: bonds (distance) C4'-P energy: -62.903 bonds (distance) P-C4' energy: -57.147 flat angles C4'-P-C4' energy: -68.113 flat angles P-C4'-P energy: -35.081 tors. eta vs tors. theta energy: -76.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -805.949834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.949834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.949834 (E_RNA) where: Base-Base interactions energy: -536.274 where: short stacking energy: -231.052 Base-Backbone interact. energy: -1.175 local terms energy: -268.500458 where: bonds (distance) C4'-P energy: -47.224 bonds (distance) P-C4' energy: -56.127 flat angles C4'-P-C4' energy: -61.259 flat angles P-C4'-P energy: -45.091 tors. eta vs tors. theta energy: -58.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -757.121454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.121454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.121454 (E_RNA) where: Base-Base interactions energy: -489.493 where: short stacking energy: -242.087 Base-Backbone interact. energy: -0.370 local terms energy: -267.257889 where: bonds (distance) C4'-P energy: -46.081 bonds (distance) P-C4' energy: -51.490 flat angles C4'-P-C4' energy: -65.735 flat angles P-C4'-P energy: -35.892 tors. eta vs tors. theta energy: -68.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -456.158383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.158383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.158383 (E_RNA) where: Base-Base interactions energy: -239.278 where: short stacking energy: -121.015 Base-Backbone interact. energy: -3.246 local terms energy: -213.634188 where: bonds (distance) C4'-P energy: -57.790 bonds (distance) P-C4' energy: -52.100 flat angles C4'-P-C4' energy: -59.860 flat angles P-C4'-P energy: -30.696 tors. eta vs tors. theta energy: -13.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -449.123147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.123147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.123147 (E_RNA) where: Base-Base interactions energy: -230.470 where: short stacking energy: -134.088 Base-Backbone interact. energy: -0.955 local terms energy: -217.698528 where: bonds (distance) C4'-P energy: -40.662 bonds (distance) P-C4' energy: -47.570 flat angles C4'-P-C4' energy: -56.880 flat angles P-C4'-P energy: -47.902 tors. eta vs tors. theta energy: -24.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -264.963837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.963837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.963837 (E_RNA) where: Base-Base interactions energy: -72.920 where: short stacking energy: -60.758 Base-Backbone interact. energy: -2.663 local terms energy: -189.380101 where: bonds (distance) C4'-P energy: -63.295 bonds (distance) P-C4' energy: -59.347 flat angles C4'-P-C4' energy: -42.694 flat angles P-C4'-P energy: -28.687 tors. eta vs tors. theta energy: 4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1075.593877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.593877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.593877 (E_RNA) where: Base-Base interactions energy: -754.076 where: short stacking energy: -311.850 Base-Backbone interact. energy: -1.448 local terms energy: -320.069736 where: bonds (distance) C4'-P energy: -60.090 bonds (distance) P-C4' energy: -64.722 flat angles C4'-P-C4' energy: -65.628 flat angles P-C4'-P energy: -47.384 tors. eta vs tors. theta energy: -82.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1088.843882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.843882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.843882 (E_RNA) where: Base-Base interactions energy: -765.122 where: short stacking energy: -332.795 Base-Backbone interact. energy: 4.112 local terms energy: -327.834266 where: bonds (distance) C4'-P energy: -55.339 bonds (distance) P-C4' energy: -59.835 flat angles C4'-P-C4' energy: -65.198 flat angles P-C4'-P energy: -47.393 tors. eta vs tors. theta energy: -100.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1064.991017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.991017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.991017 (E_RNA) where: Base-Base interactions energy: -742.624 where: short stacking energy: -302.481 Base-Backbone interact. energy: -0.140 local terms energy: -322.226843 where: bonds (distance) C4'-P energy: -56.688 bonds (distance) P-C4' energy: -62.510 flat angles C4'-P-C4' energy: -70.533 flat angles P-C4'-P energy: -43.275 tors. eta vs tors. theta energy: -89.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -892.967569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.967569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.967569 (E_RNA) where: Base-Base interactions energy: -580.625 where: short stacking energy: -242.464 Base-Backbone interact. energy: -3.349 local terms energy: -308.993408 where: bonds (distance) C4'-P energy: -65.319 bonds (distance) P-C4' energy: -58.749 flat angles C4'-P-C4' energy: -68.018 flat angles P-C4'-P energy: -49.082 tors. eta vs tors. theta energy: -67.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -922.595170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.595170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.595170 (E_RNA) where: Base-Base interactions energy: -607.445 where: short stacking energy: -282.542 Base-Backbone interact. energy: 0.326 local terms energy: -315.475452 where: bonds (distance) C4'-P energy: -60.879 bonds (distance) P-C4' energy: -61.640 flat angles C4'-P-C4' energy: -68.500 flat angles P-C4'-P energy: -45.140 tors. eta vs tors. theta energy: -79.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -784.436343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.436343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.436343 (E_RNA) where: Base-Base interactions energy: -509.713 where: short stacking energy: -237.260 Base-Backbone interact. energy: 3.283 local terms energy: -278.006044 where: bonds (distance) C4'-P energy: -60.192 bonds (distance) P-C4' energy: -50.982 flat angles C4'-P-C4' energy: -59.310 flat angles P-C4'-P energy: -47.101 tors. eta vs tors. theta energy: -60.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -759.775413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.775413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.775413 (E_RNA) where: Base-Base interactions energy: -496.694 where: short stacking energy: -239.906 Base-Backbone interact. energy: -0.660 local terms energy: -262.421963 where: bonds (distance) C4'-P energy: -53.746 bonds (distance) P-C4' energy: -50.774 flat angles C4'-P-C4' energy: -52.531 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -64.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -496.415262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.415262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.415262 (E_RNA) where: Base-Base interactions energy: -278.002 where: short stacking energy: -173.577 Base-Backbone interact. energy: 0.754 local terms energy: -219.167381 where: bonds (distance) C4'-P energy: -56.514 bonds (distance) P-C4' energy: -53.187 flat angles C4'-P-C4' energy: -53.068 flat angles P-C4'-P energy: -25.434 tors. eta vs tors. theta energy: -30.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -472.606737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.606737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.606737 (E_RNA) where: Base-Base interactions energy: -253.383 where: short stacking energy: -140.984 Base-Backbone interact. energy: -1.386 local terms energy: -217.837728 where: bonds (distance) C4'-P energy: -47.258 bonds (distance) P-C4' energy: -55.143 flat angles C4'-P-C4' energy: -43.354 flat angles P-C4'-P energy: -48.072 tors. eta vs tors. theta energy: -24.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -287.043790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.043790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.043790 (E_RNA) where: Base-Base interactions energy: -88.707 where: short stacking energy: -65.011 Base-Backbone interact. energy: -1.770 local terms energy: -196.566989 where: bonds (distance) C4'-P energy: -58.871 bonds (distance) P-C4' energy: -53.289 flat angles C4'-P-C4' energy: -58.148 flat angles P-C4'-P energy: -26.186 tors. eta vs tors. theta energy: -0.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1099.218183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.218183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.218183 (E_RNA) where: Base-Base interactions energy: -762.534 where: short stacking energy: -314.646 Base-Backbone interact. energy: -1.332 local terms energy: -335.351951 where: bonds (distance) C4'-P energy: -56.664 bonds (distance) P-C4' energy: -78.732 flat angles C4'-P-C4' energy: -68.295 flat angles P-C4'-P energy: -44.364 tors. eta vs tors. theta energy: -87.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1087.541442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.541442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.541442 (E_RNA) where: Base-Base interactions energy: -761.561 where: short stacking energy: -325.998 Base-Backbone interact. energy: -0.713 local terms energy: -325.267015 where: bonds (distance) C4'-P energy: -61.273 bonds (distance) P-C4' energy: -61.857 flat angles C4'-P-C4' energy: -66.834 flat angles P-C4'-P energy: -42.770 tors. eta vs tors. theta energy: -92.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1061.241431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.241431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.241431 (E_RNA) where: Base-Base interactions energy: -726.355 where: short stacking energy: -296.859 Base-Backbone interact. energy: -3.436 local terms energy: -331.450554 where: bonds (distance) C4'-P energy: -64.389 bonds (distance) P-C4' energy: -69.322 flat angles C4'-P-C4' energy: -72.213 flat angles P-C4'-P energy: -38.805 tors. eta vs tors. theta energy: -86.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -953.323329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.323329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.323329 (E_RNA) where: Base-Base interactions energy: -646.057 where: short stacking energy: -284.968 Base-Backbone interact. energy: -1.808 local terms energy: -305.457901 where: bonds (distance) C4'-P energy: -64.555 bonds (distance) P-C4' energy: -58.344 flat angles C4'-P-C4' energy: -60.014 flat angles P-C4'-P energy: -42.038 tors. eta vs tors. theta energy: -80.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -918.835790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.835790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.835790 (E_RNA) where: Base-Base interactions energy: -604.145 where: short stacking energy: -274.598 Base-Backbone interact. energy: -1.359 local terms energy: -313.331369 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -52.598 flat angles C4'-P-C4' energy: -67.382 flat angles P-C4'-P energy: -45.039 tors. eta vs tors. theta energy: -89.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -820.181278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.181278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.181278 (E_RNA) where: Base-Base interactions energy: -515.546 where: short stacking energy: -242.168 Base-Backbone interact. energy: -1.325 local terms energy: -303.310170 where: bonds (distance) C4'-P energy: -59.275 bonds (distance) P-C4' energy: -66.168 flat angles C4'-P-C4' energy: -65.501 flat angles P-C4'-P energy: -44.839 tors. eta vs tors. theta energy: -67.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -751.619062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.619062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.619062 (E_RNA) where: Base-Base interactions energy: -483.034 where: short stacking energy: -224.367 Base-Backbone interact. energy: -1.864 local terms energy: -266.721782 where: bonds (distance) C4'-P energy: -50.487 bonds (distance) P-C4' energy: -50.081 flat angles C4'-P-C4' energy: -64.146 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: -60.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -497.864066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.864066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.864066 (E_RNA) where: Base-Base interactions energy: -282.314 where: short stacking energy: -151.313 Base-Backbone interact. energy: 0.120 local terms energy: -215.670378 where: bonds (distance) C4'-P energy: -55.248 bonds (distance) P-C4' energy: -49.614 flat angles C4'-P-C4' energy: -49.443 flat angles P-C4'-P energy: -40.311 tors. eta vs tors. theta energy: -21.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -473.454378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.454378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.454378 (E_RNA) where: Base-Base interactions energy: -259.395 where: short stacking energy: -133.929 Base-Backbone interact. energy: -0.061 local terms energy: -213.999248 where: bonds (distance) C4'-P energy: -56.281 bonds (distance) P-C4' energy: -66.012 flat angles C4'-P-C4' energy: -52.308 flat angles P-C4'-P energy: -22.122 tors. eta vs tors. theta energy: -17.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -260.813641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.813641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.813641 (E_RNA) where: Base-Base interactions energy: -83.480 where: short stacking energy: -71.939 Base-Backbone interact. energy: 0.967 local terms energy: -178.300620 where: bonds (distance) C4'-P energy: -64.282 bonds (distance) P-C4' energy: -64.014 flat angles C4'-P-C4' energy: -51.366 flat angles P-C4'-P energy: -10.861 tors. eta vs tors. theta energy: 12.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1095.392063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.392063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.392063 (E_RNA) where: Base-Base interactions energy: -737.613 where: short stacking energy: -305.199 Base-Backbone interact. energy: -1.294 local terms energy: -356.484577 where: bonds (distance) C4'-P energy: -69.045 bonds (distance) P-C4' energy: -70.704 flat angles C4'-P-C4' energy: -67.273 flat angles P-C4'-P energy: -54.760 tors. eta vs tors. theta energy: -94.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1076.085049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.085049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.085049 (E_RNA) where: Base-Base interactions energy: -751.498 where: short stacking energy: -308.456 Base-Backbone interact. energy: -1.462 local terms energy: -323.124760 where: bonds (distance) C4'-P energy: -60.727 bonds (distance) P-C4' energy: -62.829 flat angles C4'-P-C4' energy: -72.394 flat angles P-C4'-P energy: -44.773 tors. eta vs tors. theta energy: -82.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1034.411040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.411040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.411040 (E_RNA) where: Base-Base interactions energy: -716.255 where: short stacking energy: -296.573 Base-Backbone interact. energy: -0.931 local terms energy: -317.224809 where: bonds (distance) C4'-P energy: -56.242 bonds (distance) P-C4' energy: -66.586 flat angles C4'-P-C4' energy: -63.735 flat angles P-C4'-P energy: -47.506 tors. eta vs tors. theta energy: -83.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -968.648789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.648789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.648789 (E_RNA) where: Base-Base interactions energy: -641.102 where: short stacking energy: -280.385 Base-Backbone interact. energy: -0.925 local terms energy: -326.621761 where: bonds (distance) C4'-P energy: -57.997 bonds (distance) P-C4' energy: -59.172 flat angles C4'-P-C4' energy: -70.133 flat angles P-C4'-P energy: -48.764 tors. eta vs tors. theta energy: -90.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -929.578939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.578939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.578939 (E_RNA) where: Base-Base interactions energy: -616.637 where: short stacking energy: -282.475 Base-Backbone interact. energy: -0.869 local terms energy: -312.072624 where: bonds (distance) C4'-P energy: -58.804 bonds (distance) P-C4' energy: -54.842 flat angles C4'-P-C4' energy: -70.746 flat angles P-C4'-P energy: -39.068 tors. eta vs tors. theta energy: -88.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -791.558121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.558121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.558121 (E_RNA) where: Base-Base interactions energy: -530.219 where: short stacking energy: -237.253 Base-Backbone interact. energy: -0.919 local terms energy: -260.420916 where: bonds (distance) C4'-P energy: -46.994 bonds (distance) P-C4' energy: -51.904 flat angles C4'-P-C4' energy: -60.700 flat angles P-C4'-P energy: -39.355 tors. eta vs tors. theta energy: -61.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -722.962470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.962470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.962470 (E_RNA) where: Base-Base interactions energy: -446.987 where: short stacking energy: -212.262 Base-Backbone interact. energy: 0.008 local terms energy: -275.983205 where: bonds (distance) C4'-P energy: -55.024 bonds (distance) P-C4' energy: -61.707 flat angles C4'-P-C4' energy: -59.259 flat angles P-C4'-P energy: -43.273 tors. eta vs tors. theta energy: -56.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -490.264462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.264462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.264462 (E_RNA) where: Base-Base interactions energy: -278.811 where: short stacking energy: -145.760 Base-Backbone interact. energy: -0.030 local terms energy: -211.423092 where: bonds (distance) C4'-P energy: -47.646 bonds (distance) P-C4' energy: -51.287 flat angles C4'-P-C4' energy: -58.263 flat angles P-C4'-P energy: -44.272 tors. eta vs tors. theta energy: -9.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -425.543563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.543563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.543563 (E_RNA) where: Base-Base interactions energy: -221.433 where: short stacking energy: -122.154 Base-Backbone interact. energy: -0.797 local terms energy: -203.313115 where: bonds (distance) C4'-P energy: -57.336 bonds (distance) P-C4' energy: -57.612 flat angles C4'-P-C4' energy: -37.919 flat angles P-C4'-P energy: -35.811 tors. eta vs tors. theta energy: -14.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -298.717850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.717850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.717850 (E_RNA) where: Base-Base interactions energy: -133.199 where: short stacking energy: -90.892 Base-Backbone interact. energy: -1.166 local terms energy: -164.352811 where: bonds (distance) C4'-P energy: -52.532 bonds (distance) P-C4' energy: -49.744 flat angles C4'-P-C4' energy: -47.051 flat angles P-C4'-P energy: -25.975 tors. eta vs tors. theta energy: 10.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1109.779184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.779184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.779184 (E_RNA) where: Base-Base interactions energy: -774.578 where: short stacking energy: -313.804 Base-Backbone interact. energy: -1.190 local terms energy: -334.011170 where: bonds (distance) C4'-P energy: -51.861 bonds (distance) P-C4' energy: -66.955 flat angles C4'-P-C4' energy: -77.435 flat angles P-C4'-P energy: -51.545 tors. eta vs tors. theta energy: -86.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1055.487911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.487911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.487911 (E_RNA) where: Base-Base interactions energy: -734.958 where: short stacking energy: -305.538 Base-Backbone interact. energy: 0.271 local terms energy: -320.800260 where: bonds (distance) C4'-P energy: -61.879 bonds (distance) P-C4' energy: -54.697 flat angles C4'-P-C4' energy: -70.815 flat angles P-C4'-P energy: -43.418 tors. eta vs tors. theta energy: -89.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1022.086049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.086049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.086049 (E_RNA) where: Base-Base interactions energy: -712.935 where: short stacking energy: -274.608 Base-Backbone interact. energy: -2.233 local terms energy: -306.918167 where: bonds (distance) C4'-P energy: -62.862 bonds (distance) P-C4' energy: -57.589 flat angles C4'-P-C4' energy: -59.449 flat angles P-C4'-P energy: -48.415 tors. eta vs tors. theta energy: -78.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -948.647872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.647872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.647872 (E_RNA) where: Base-Base interactions energy: -644.842 where: short stacking energy: -263.195 Base-Backbone interact. energy: -2.051 local terms energy: -301.754387 where: bonds (distance) C4'-P energy: -64.764 bonds (distance) P-C4' energy: -64.077 flat angles C4'-P-C4' energy: -64.858 flat angles P-C4'-P energy: -36.112 tors. eta vs tors. theta energy: -71.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -928.680723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.680723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.680723 (E_RNA) where: Base-Base interactions energy: -612.561 where: short stacking energy: -280.419 Base-Backbone interact. energy: -1.691 local terms energy: -314.428850 where: bonds (distance) C4'-P energy: -61.558 bonds (distance) P-C4' energy: -57.659 flat angles C4'-P-C4' energy: -69.966 flat angles P-C4'-P energy: -40.124 tors. eta vs tors. theta energy: -85.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -792.727123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.727123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.727123 (E_RNA) where: Base-Base interactions energy: -514.065 where: short stacking energy: -226.890 Base-Backbone interact. energy: -1.156 local terms energy: -277.506206 where: bonds (distance) C4'-P energy: -57.338 bonds (distance) P-C4' energy: -54.755 flat angles C4'-P-C4' energy: -59.670 flat angles P-C4'-P energy: -49.048 tors. eta vs tors. theta energy: -56.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -753.846839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.846839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.846839 (E_RNA) where: Base-Base interactions energy: -504.915 where: short stacking energy: -226.353 Base-Backbone interact. energy: 1.702 local terms energy: -250.634160 where: bonds (distance) C4'-P energy: -52.272 bonds (distance) P-C4' energy: -52.101 flat angles C4'-P-C4' energy: -54.772 flat angles P-C4'-P energy: -30.974 tors. eta vs tors. theta energy: -60.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -423.214941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.214941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.214941 (E_RNA) where: Base-Base interactions energy: -219.256 where: short stacking energy: -112.327 Base-Backbone interact. energy: 0.418 local terms energy: -204.376169 where: bonds (distance) C4'-P energy: -65.479 bonds (distance) P-C4' energy: -57.905 flat angles C4'-P-C4' energy: -48.073 flat angles P-C4'-P energy: -17.220 tors. eta vs tors. theta energy: -15.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -435.159490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.159490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.159490 (E_RNA) where: Base-Base interactions energy: -226.638 where: short stacking energy: -114.548 Base-Backbone interact. energy: -2.154 local terms energy: -206.368234 where: bonds (distance) C4'-P energy: -51.065 bonds (distance) P-C4' energy: -47.463 flat angles C4'-P-C4' energy: -58.815 flat angles P-C4'-P energy: -36.641 tors. eta vs tors. theta energy: -12.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -263.428752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.428752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.428752 (E_RNA) where: Base-Base interactions energy: -92.823 where: short stacking energy: -82.622 Base-Backbone interact. energy: -1.331 local terms energy: -169.274632 where: bonds (distance) C4'-P energy: -59.595 bonds (distance) P-C4' energy: -48.218 flat angles C4'-P-C4' energy: -44.100 flat angles P-C4'-P energy: -29.171 tors. eta vs tors. theta energy: 11.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1111.940048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.940048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.940048 (E_RNA) where: Base-Base interactions energy: -770.932 where: short stacking energy: -310.220 Base-Backbone interact. energy: 1.444 local terms energy: -342.452187 where: bonds (distance) C4'-P energy: -68.578 bonds (distance) P-C4' energy: -63.839 flat angles C4'-P-C4' energy: -72.106 flat angles P-C4'-P energy: -46.146 tors. eta vs tors. theta energy: -91.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1073.909635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.909635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.909635 (E_RNA) where: Base-Base interactions energy: -755.878 where: short stacking energy: -299.916 Base-Backbone interact. energy: -2.452 local terms energy: -315.580607 where: bonds (distance) C4'-P energy: -66.602 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -65.177 flat angles P-C4'-P energy: -35.729 tors. eta vs tors. theta energy: -83.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1049.646592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.646592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.646592 (E_RNA) where: Base-Base interactions energy: -727.497 where: short stacking energy: -296.792 Base-Backbone interact. energy: -1.342 local terms energy: -320.808184 where: bonds (distance) C4'-P energy: -60.804 bonds (distance) P-C4' energy: -57.378 flat angles C4'-P-C4' energy: -70.210 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: -89.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -932.471183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.471183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.471183 (E_RNA) where: Base-Base interactions energy: -631.927 where: short stacking energy: -263.229 Base-Backbone interact. energy: -0.175 local terms energy: -300.368933 where: bonds (distance) C4'-P energy: -61.869 bonds (distance) P-C4' energy: -56.156 flat angles C4'-P-C4' energy: -61.996 flat angles P-C4'-P energy: -44.587 tors. eta vs tors. theta energy: -75.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -935.774020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.774020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.774020 (E_RNA) where: Base-Base interactions energy: -615.503 where: short stacking energy: -266.670 Base-Backbone interact. energy: -1.973 local terms energy: -318.297557 where: bonds (distance) C4'-P energy: -59.817 bonds (distance) P-C4' energy: -67.128 flat angles C4'-P-C4' energy: -68.810 flat angles P-C4'-P energy: -45.225 tors. eta vs tors. theta energy: -77.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -822.484800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.484800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.484800 (E_RNA) where: Base-Base interactions energy: -553.373 where: short stacking energy: -269.207 Base-Backbone interact. energy: -0.965 local terms energy: -268.147274 where: bonds (distance) C4'-P energy: -53.873 bonds (distance) P-C4' energy: -47.368 flat angles C4'-P-C4' energy: -67.870 flat angles P-C4'-P energy: -31.936 tors. eta vs tors. theta energy: -67.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -731.592151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.592151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.592151 (E_RNA) where: Base-Base interactions energy: -466.409 where: short stacking energy: -224.866 Base-Backbone interact. energy: -0.582 local terms energy: -264.600937 where: bonds (distance) C4'-P energy: -45.767 bonds (distance) P-C4' energy: -58.518 flat angles C4'-P-C4' energy: -56.185 flat angles P-C4'-P energy: -44.754 tors. eta vs tors. theta energy: -59.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -495.202383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.202383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.202383 (E_RNA) where: Base-Base interactions energy: -275.378 where: short stacking energy: -151.881 Base-Backbone interact. energy: -0.217 local terms energy: -219.607602 where: bonds (distance) C4'-P energy: -50.681 bonds (distance) P-C4' energy: -61.244 flat angles C4'-P-C4' energy: -56.023 flat angles P-C4'-P energy: -27.131 tors. eta vs tors. theta energy: -24.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -415.973390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.973390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.973390 (E_RNA) where: Base-Base interactions energy: -207.705 where: short stacking energy: -138.780 Base-Backbone interact. energy: -0.685 local terms energy: -207.583911 where: bonds (distance) C4'-P energy: -62.611 bonds (distance) P-C4' energy: -42.939 flat angles C4'-P-C4' energy: -55.884 flat angles P-C4'-P energy: -32.483 tors. eta vs tors. theta energy: -13.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -260.692509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.692509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.692509 (E_RNA) where: Base-Base interactions energy: -98.738 where: short stacking energy: -72.882 Base-Backbone interact. energy: 1.075 local terms energy: -163.030059 where: bonds (distance) C4'-P energy: -59.981 bonds (distance) P-C4' energy: -58.477 flat angles C4'-P-C4' energy: -41.526 flat angles P-C4'-P energy: -16.820 tors. eta vs tors. theta energy: 13.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1113.273397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.273397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.273397 (E_RNA) where: Base-Base interactions energy: -790.453 where: short stacking energy: -327.165 Base-Backbone interact. energy: 1.143 local terms energy: -323.963753 where: bonds (distance) C4'-P energy: -59.353 bonds (distance) P-C4' energy: -61.283 flat angles C4'-P-C4' energy: -71.301 flat angles P-C4'-P energy: -42.662 tors. eta vs tors. theta energy: -89.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1042.294556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.294556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.294556 (E_RNA) where: Base-Base interactions energy: -724.563 where: short stacking energy: -291.384 Base-Backbone interact. energy: -1.622 local terms energy: -316.109079 where: bonds (distance) C4'-P energy: -60.216 bonds (distance) P-C4' energy: -51.083 flat angles C4'-P-C4' energy: -71.732 flat angles P-C4'-P energy: -50.288 tors. eta vs tors. theta energy: -82.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1037.329428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.329428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.329428 (E_RNA) where: Base-Base interactions energy: -721.659 where: short stacking energy: -292.350 Base-Backbone interact. energy: -1.163 local terms energy: -314.508207 where: bonds (distance) C4'-P energy: -55.718 bonds (distance) P-C4' energy: -64.344 flat angles C4'-P-C4' energy: -59.097 flat angles P-C4'-P energy: -50.509 tors. eta vs tors. theta energy: -84.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -937.546367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.546367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.546367 (E_RNA) where: Base-Base interactions energy: -631.909 where: short stacking energy: -265.191 Base-Backbone interact. energy: -1.336 local terms energy: -304.301919 where: bonds (distance) C4'-P energy: -60.462 bonds (distance) P-C4' energy: -60.714 flat angles C4'-P-C4' energy: -65.567 flat angles P-C4'-P energy: -38.860 tors. eta vs tors. theta energy: -78.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -905.985722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.985722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.985722 (E_RNA) where: Base-Base interactions energy: -574.908 where: short stacking energy: -253.114 Base-Backbone interact. energy: -1.099 local terms energy: -329.979276 where: bonds (distance) C4'-P energy: -66.243 bonds (distance) P-C4' energy: -69.850 flat angles C4'-P-C4' energy: -68.557 flat angles P-C4'-P energy: -51.446 tors. eta vs tors. theta energy: -73.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -807.151480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.151480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.151480 (E_RNA) where: Base-Base interactions energy: -530.998 where: short stacking energy: -247.612 Base-Backbone interact. energy: 1.991 local terms energy: -278.144327 where: bonds (distance) C4'-P energy: -47.081 bonds (distance) P-C4' energy: -62.640 flat angles C4'-P-C4' energy: -59.963 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: -68.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -723.857002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.857002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.857002 (E_RNA) where: Base-Base interactions energy: -470.036 where: short stacking energy: -225.495 Base-Backbone interact. energy: -0.840 local terms energy: -252.981410 where: bonds (distance) C4'-P energy: -47.899 bonds (distance) P-C4' energy: -58.627 flat angles C4'-P-C4' energy: -55.288 flat angles P-C4'-P energy: -42.082 tors. eta vs tors. theta energy: -49.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -572.527607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.527607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.527607 (E_RNA) where: Base-Base interactions energy: -341.694 where: short stacking energy: -159.657 Base-Backbone interact. energy: 0.849 local terms energy: -231.682514 where: bonds (distance) C4'-P energy: -62.351 bonds (distance) P-C4' energy: -51.790 flat angles C4'-P-C4' energy: -55.546 flat angles P-C4'-P energy: -39.929 tors. eta vs tors. theta energy: -22.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -267.537101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.537101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.537101 (E_RNA) where: Base-Base interactions energy: -81.155 where: short stacking energy: -57.694 Base-Backbone interact. energy: 1.820 local terms energy: -188.202716 where: bonds (distance) C4'-P energy: -58.944 bonds (distance) P-C4' energy: -51.920 flat angles C4'-P-C4' energy: -56.313 flat angles P-C4'-P energy: -36.003 tors. eta vs tors. theta energy: 14.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -369.338757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.338757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.338757 (E_RNA) where: Base-Base interactions energy: -195.275 where: short stacking energy: -106.150 Base-Backbone interact. energy: 2.278 local terms energy: -176.341945 where: bonds (distance) C4'-P energy: -63.766 bonds (distance) P-C4' energy: -46.762 flat angles C4'-P-C4' energy: -38.626 flat angles P-C4'-P energy: -25.734 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1126.344517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.344517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.344517 (E_RNA) where: Base-Base interactions energy: -782.930 where: short stacking energy: -320.222 Base-Backbone interact. energy: -1.970 local terms energy: -341.444180 where: bonds (distance) C4'-P energy: -67.016 bonds (distance) P-C4' energy: -61.246 flat angles C4'-P-C4' energy: -68.518 flat angles P-C4'-P energy: -51.587 tors. eta vs tors. theta energy: -93.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1058.941839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.941839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.941839 (E_RNA) where: Base-Base interactions energy: -722.915 where: short stacking energy: -294.872 Base-Backbone interact. energy: -2.131 local terms energy: -333.895414 where: bonds (distance) C4'-P energy: -65.364 bonds (distance) P-C4' energy: -67.305 flat angles C4'-P-C4' energy: -67.693 flat angles P-C4'-P energy: -52.772 tors. eta vs tors. theta energy: -80.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1035.324610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.324610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.324610 (E_RNA) where: Base-Base interactions energy: -709.170 where: short stacking energy: -282.815 Base-Backbone interact. energy: -0.678 local terms energy: -325.476387 where: bonds (distance) C4'-P energy: -60.423 bonds (distance) P-C4' energy: -63.743 flat angles C4'-P-C4' energy: -65.519 flat angles P-C4'-P energy: -49.457 tors. eta vs tors. theta energy: -86.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -923.325621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.325621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.325621 (E_RNA) where: Base-Base interactions energy: -604.746 where: short stacking energy: -267.691 Base-Backbone interact. energy: 1.150 local terms energy: -319.729984 where: bonds (distance) C4'-P energy: -63.714 bonds (distance) P-C4' energy: -64.866 flat angles C4'-P-C4' energy: -66.846 flat angles P-C4'-P energy: -50.774 tors. eta vs tors. theta energy: -73.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -922.509677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.509677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.509677 (E_RNA) where: Base-Base interactions energy: -627.675 where: short stacking energy: -292.592 Base-Backbone interact. energy: -1.109 local terms energy: -293.726128 where: bonds (distance) C4'-P energy: -66.281 bonds (distance) P-C4' energy: -53.989 flat angles C4'-P-C4' energy: -57.478 flat angles P-C4'-P energy: -34.334 tors. eta vs tors. theta energy: -81.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -835.325953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.325953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.325953 (E_RNA) where: Base-Base interactions energy: -551.961 where: short stacking energy: -253.428 Base-Backbone interact. energy: -0.079 local terms energy: -283.286523 where: bonds (distance) C4'-P energy: -53.355 bonds (distance) P-C4' energy: -55.374 flat angles C4'-P-C4' energy: -67.678 flat angles P-C4'-P energy: -41.029 tors. eta vs tors. theta energy: -65.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -763.335351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.335351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.335351 (E_RNA) where: Base-Base interactions energy: -492.422 where: short stacking energy: -232.557 Base-Backbone interact. energy: 0.522 local terms energy: -271.435302 where: bonds (distance) C4'-P energy: -53.091 bonds (distance) P-C4' energy: -47.011 flat angles C4'-P-C4' energy: -63.727 flat angles P-C4'-P energy: -36.245 tors. eta vs tors. theta energy: -71.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -546.771053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.771053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.771053 (E_RNA) where: Base-Base interactions energy: -329.868 where: short stacking energy: -149.570 Base-Backbone interact. energy: -1.118 local terms energy: -215.785189 where: bonds (distance) C4'-P energy: -50.901 bonds (distance) P-C4' energy: -58.526 flat angles C4'-P-C4' energy: -49.623 flat angles P-C4'-P energy: -33.962 tors. eta vs tors. theta energy: -22.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -296.364471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.364471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.364471 (E_RNA) where: Base-Base interactions energy: -112.157 where: short stacking energy: -76.548 Base-Backbone interact. energy: 4.099 local terms energy: -188.306440 where: bonds (distance) C4'-P energy: -64.336 bonds (distance) P-C4' energy: -62.826 flat angles C4'-P-C4' energy: -41.358 flat angles P-C4'-P energy: -35.306 tors. eta vs tors. theta energy: 15.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -386.236908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.236908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.236908 (E_RNA) where: Base-Base interactions energy: -222.832 where: short stacking energy: -100.552 Base-Backbone interact. energy: 4.898 local terms energy: -168.302751 where: bonds (distance) C4'-P energy: -46.416 bonds (distance) P-C4' energy: -52.736 flat angles C4'-P-C4' energy: -44.796 flat angles P-C4'-P energy: -27.773 tors. eta vs tors. theta energy: 3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1140.790007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.790007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.790007 (E_RNA) where: Base-Base interactions energy: -794.366 where: short stacking energy: -306.994 Base-Backbone interact. energy: -0.244 local terms energy: -346.179981 where: bonds (distance) C4'-P energy: -68.540 bonds (distance) P-C4' energy: -67.671 flat angles C4'-P-C4' energy: -73.306 flat angles P-C4'-P energy: -49.175 tors. eta vs tors. theta energy: -87.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1054.809434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.809434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.809434 (E_RNA) where: Base-Base interactions energy: -730.678 where: short stacking energy: -292.212 Base-Backbone interact. energy: -1.410 local terms energy: -322.721838 where: bonds (distance) C4'-P energy: -54.988 bonds (distance) P-C4' energy: -64.937 flat angles C4'-P-C4' energy: -73.056 flat angles P-C4'-P energy: -39.345 tors. eta vs tors. theta energy: -90.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1027.144372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.144372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.144372 (E_RNA) where: Base-Base interactions energy: -715.542 where: short stacking energy: -288.966 Base-Backbone interact. energy: 1.621 local terms energy: -313.223237 where: bonds (distance) C4'-P energy: -52.564 bonds (distance) P-C4' energy: -62.820 flat angles C4'-P-C4' energy: -66.391 flat angles P-C4'-P energy: -44.868 tors. eta vs tors. theta energy: -86.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -915.250510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.250510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.250510 (E_RNA) where: Base-Base interactions energy: -616.769 where: short stacking energy: -260.799 Base-Backbone interact. energy: -2.350 local terms energy: -296.131405 where: bonds (distance) C4'-P energy: -58.669 bonds (distance) P-C4' energy: -65.156 flat angles C4'-P-C4' energy: -72.265 flat angles P-C4'-P energy: -29.758 tors. eta vs tors. theta energy: -70.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -940.022936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.022936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.022936 (E_RNA) where: Base-Base interactions energy: -623.370 where: short stacking energy: -277.036 Base-Backbone interact. energy: 2.477 local terms energy: -319.129346 where: bonds (distance) C4'-P energy: -53.677 bonds (distance) P-C4' energy: -67.308 flat angles C4'-P-C4' energy: -60.569 flat angles P-C4'-P energy: -48.698 tors. eta vs tors. theta energy: -88.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -825.333385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.333385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.333385 (E_RNA) where: Base-Base interactions energy: -546.201 where: short stacking energy: -240.842 Base-Backbone interact. energy: -1.310 local terms energy: -277.822419 where: bonds (distance) C4'-P energy: -54.541 bonds (distance) P-C4' energy: -53.842 flat angles C4'-P-C4' energy: -66.265 flat angles P-C4'-P energy: -50.345 tors. eta vs tors. theta energy: -52.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -738.850082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.850082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.850082 (E_RNA) where: Base-Base interactions energy: -485.539 where: short stacking energy: -226.622 Base-Backbone interact. energy: -0.149 local terms energy: -253.161717 where: bonds (distance) C4'-P energy: -36.095 bonds (distance) P-C4' energy: -63.271 flat angles C4'-P-C4' energy: -64.351 flat angles P-C4'-P energy: -26.348 tors. eta vs tors. theta energy: -63.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -587.323432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.323432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.323432 (E_RNA) where: Base-Base interactions energy: -343.544 where: short stacking energy: -185.260 Base-Backbone interact. energy: 0.390 local terms energy: -244.169935 where: bonds (distance) C4'-P energy: -59.908 bonds (distance) P-C4' energy: -55.071 flat angles C4'-P-C4' energy: -61.665 flat angles P-C4'-P energy: -27.097 tors. eta vs tors. theta energy: -40.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -404.219621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.219621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.219621 (E_RNA) where: Base-Base interactions energy: -209.185 where: short stacking energy: -130.801 Base-Backbone interact. energy: 1.229 local terms energy: -196.263976 where: bonds (distance) C4'-P energy: -45.932 bonds (distance) P-C4' energy: -56.523 flat angles C4'-P-C4' energy: -52.082 flat angles P-C4'-P energy: -28.926 tors. eta vs tors. theta energy: -12.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -265.045234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.045234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.045234 (E_RNA) where: Base-Base interactions energy: -102.549 where: short stacking energy: -59.958 Base-Backbone interact. energy: 7.397 local terms energy: -169.893337 where: bonds (distance) C4'-P energy: -62.557 bonds (distance) P-C4' energy: -51.549 flat angles C4'-P-C4' energy: -51.971 flat angles P-C4'-P energy: -22.570 tors. eta vs tors. theta energy: 18.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1128.189607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.189607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.189607 (E_RNA) where: Base-Base interactions energy: -790.438 where: short stacking energy: -315.401 Base-Backbone interact. energy: 1.067 local terms energy: -338.819122 where: bonds (distance) C4'-P energy: -64.644 bonds (distance) P-C4' energy: -57.686 flat angles C4'-P-C4' energy: -73.885 flat angles P-C4'-P energy: -56.412 tors. eta vs tors. theta energy: -86.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1074.307070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.307070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.307070 (E_RNA) where: Base-Base interactions energy: -746.506 where: short stacking energy: -300.443 Base-Backbone interact. energy: -1.183 local terms energy: -326.617683 where: bonds (distance) C4'-P energy: -53.704 bonds (distance) P-C4' energy: -68.335 flat angles C4'-P-C4' energy: -71.161 flat angles P-C4'-P energy: -51.553 tors. eta vs tors. theta energy: -81.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1048.709289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.709289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.709289 (E_RNA) where: Base-Base interactions energy: -725.279 where: short stacking energy: -285.110 Base-Backbone interact. energy: -0.520 local terms energy: -322.909915 where: bonds (distance) C4'-P energy: -65.514 bonds (distance) P-C4' energy: -60.920 flat angles C4'-P-C4' energy: -73.357 flat angles P-C4'-P energy: -41.482 tors. eta vs tors. theta energy: -81.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -922.266355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.266355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.266355 (E_RNA) where: Base-Base interactions energy: -632.581 where: short stacking energy: -270.358 Base-Backbone interact. energy: -1.509 local terms energy: -288.176698 where: bonds (distance) C4'-P energy: -54.498 bonds (distance) P-C4' energy: -61.484 flat angles C4'-P-C4' energy: -62.553 flat angles P-C4'-P energy: -38.232 tors. eta vs tors. theta energy: -71.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -870.011724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.011724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.011724 (E_RNA) where: Base-Base interactions energy: -577.707 where: short stacking energy: -261.615 Base-Backbone interact. energy: -1.603 local terms energy: -290.701892 where: bonds (distance) C4'-P energy: -51.632 bonds (distance) P-C4' energy: -61.711 flat angles C4'-P-C4' energy: -64.264 flat angles P-C4'-P energy: -36.795 tors. eta vs tors. theta energy: -76.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -773.034970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.034970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.034970 (E_RNA) where: Base-Base interactions energy: -490.517 where: short stacking energy: -218.097 Base-Backbone interact. energy: -1.383 local terms energy: -281.135126 where: bonds (distance) C4'-P energy: -62.909 bonds (distance) P-C4' energy: -56.593 flat angles C4'-P-C4' energy: -61.141 flat angles P-C4'-P energy: -46.860 tors. eta vs tors. theta energy: -53.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -768.465214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.465214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.465214 (E_RNA) where: Base-Base interactions energy: -483.629 where: short stacking energy: -225.204 Base-Backbone interact. energy: -1.016 local terms energy: -283.821138 where: bonds (distance) C4'-P energy: -54.216 bonds (distance) P-C4' energy: -60.558 flat angles C4'-P-C4' energy: -62.158 flat angles P-C4'-P energy: -35.968 tors. eta vs tors. theta energy: -70.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -570.575522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.575522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.575522 (E_RNA) where: Base-Base interactions energy: -333.938 where: short stacking energy: -168.274 Base-Backbone interact. energy: -0.117 local terms energy: -236.520349 where: bonds (distance) C4'-P energy: -62.402 bonds (distance) P-C4' energy: -63.058 flat angles C4'-P-C4' energy: -58.746 flat angles P-C4'-P energy: -16.725 tors. eta vs tors. theta energy: -35.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -413.549044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.549044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.549044 (E_RNA) where: Base-Base interactions energy: -187.566 where: short stacking energy: -107.835 Base-Backbone interact. energy: -1.118 local terms energy: -224.864531 where: bonds (distance) C4'-P energy: -58.615 bonds (distance) P-C4' energy: -67.337 flat angles C4'-P-C4' energy: -54.438 flat angles P-C4'-P energy: -24.854 tors. eta vs tors. theta energy: -19.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -281.059860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.059860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.059860 (E_RNA) where: Base-Base interactions energy: -100.788 where: short stacking energy: -83.992 Base-Backbone interact. energy: -1.115 local terms energy: -179.157155 where: bonds (distance) C4'-P energy: -46.154 bonds (distance) P-C4' energy: -64.846 flat angles C4'-P-C4' energy: -43.427 flat angles P-C4'-P energy: -23.333 tors. eta vs tors. theta energy: -1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1107.636598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.636598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.636598 (E_RNA) where: Base-Base interactions energy: -777.085 where: short stacking energy: -304.902 Base-Backbone interact. energy: 4.411 local terms energy: -334.962504 where: bonds (distance) C4'-P energy: -61.619 bonds (distance) P-C4' energy: -64.474 flat angles C4'-P-C4' energy: -72.252 flat angles P-C4'-P energy: -50.265 tors. eta vs tors. theta energy: -86.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1060.751368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.751368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.751368 (E_RNA) where: Base-Base interactions energy: -738.843 where: short stacking energy: -277.885 Base-Backbone interact. energy: -1.494 local terms energy: -320.414152 where: bonds (distance) C4'-P energy: -59.879 bonds (distance) P-C4' energy: -69.346 flat angles C4'-P-C4' energy: -67.345 flat angles P-C4'-P energy: -46.717 tors. eta vs tors. theta energy: -77.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1036.581384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.581384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.581384 (E_RNA) where: Base-Base interactions energy: -724.677 where: short stacking energy: -284.695 Base-Backbone interact. energy: -1.803 local terms energy: -310.102012 where: bonds (distance) C4'-P energy: -60.829 bonds (distance) P-C4' energy: -58.917 flat angles C4'-P-C4' energy: -72.116 flat angles P-C4'-P energy: -35.094 tors. eta vs tors. theta energy: -83.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -947.475815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.475815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.475815 (E_RNA) where: Base-Base interactions energy: -636.450 where: short stacking energy: -283.750 Base-Backbone interact. energy: -1.590 local terms energy: -309.436034 where: bonds (distance) C4'-P energy: -63.486 bonds (distance) P-C4' energy: -60.740 flat angles C4'-P-C4' energy: -58.247 flat angles P-C4'-P energy: -42.593 tors. eta vs tors. theta energy: -84.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -865.280434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.280434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.280434 (E_RNA) where: Base-Base interactions energy: -562.255 where: short stacking energy: -253.802 Base-Backbone interact. energy: -1.759 local terms energy: -301.266204 where: bonds (distance) C4'-P energy: -59.119 bonds (distance) P-C4' energy: -62.811 flat angles C4'-P-C4' energy: -60.018 flat angles P-C4'-P energy: -45.092 tors. eta vs tors. theta energy: -74.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -774.109064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.109064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.109064 (E_RNA) where: Base-Base interactions energy: -491.046 where: short stacking energy: -259.450 Base-Backbone interact. energy: -0.918 local terms energy: -282.144962 where: bonds (distance) C4'-P energy: -59.297 bonds (distance) P-C4' energy: -61.106 flat angles C4'-P-C4' energy: -59.015 flat angles P-C4'-P energy: -37.179 tors. eta vs tors. theta energy: -65.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -823.008061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.008061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.008061 (E_RNA) where: Base-Base interactions energy: -534.406 where: short stacking energy: -251.557 Base-Backbone interact. energy: -3.318 local terms energy: -285.284313 where: bonds (distance) C4'-P energy: -66.497 bonds (distance) P-C4' energy: -54.723 flat angles C4'-P-C4' energy: -56.929 flat angles P-C4'-P energy: -36.841 tors. eta vs tors. theta energy: -70.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -531.420845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.420845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.420845 (E_RNA) where: Base-Base interactions energy: -333.090 where: short stacking energy: -185.792 Base-Backbone interact. energy: -0.255 local terms energy: -198.075466 where: bonds (distance) C4'-P energy: -50.416 bonds (distance) P-C4' energy: -50.949 flat angles C4'-P-C4' energy: -38.115 flat angles P-C4'-P energy: -23.138 tors. eta vs tors. theta energy: -35.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -412.476590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.476590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.476590 (E_RNA) where: Base-Base interactions energy: -232.941 where: short stacking energy: -127.262 Base-Backbone interact. energy: 0.270 local terms energy: -179.805936 where: bonds (distance) C4'-P energy: -49.050 bonds (distance) P-C4' energy: -48.084 flat angles C4'-P-C4' energy: -50.292 flat angles P-C4'-P energy: -27.654 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -283.765247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.765247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.765247 (E_RNA) where: Base-Base interactions energy: -109.888 where: short stacking energy: -105.154 Base-Backbone interact. energy: 1.694 local terms energy: -175.571250 where: bonds (distance) C4'-P energy: -53.185 bonds (distance) P-C4' energy: -55.493 flat angles C4'-P-C4' energy: -38.480 flat angles P-C4'-P energy: -22.130 tors. eta vs tors. theta energy: -6.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1124.171904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.171904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.171904 (E_RNA) where: Base-Base interactions energy: -784.732 where: short stacking energy: -314.134 Base-Backbone interact. energy: -1.865 local terms energy: -337.574208 where: bonds (distance) C4'-P energy: -63.654 bonds (distance) P-C4' energy: -70.185 flat angles C4'-P-C4' energy: -69.908 flat angles P-C4'-P energy: -46.654 tors. eta vs tors. theta energy: -87.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1068.347861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.347861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.347861 (E_RNA) where: Base-Base interactions energy: -749.923 where: short stacking energy: -297.060 Base-Backbone interact. energy: 1.880 local terms energy: -320.304447 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -61.422 flat angles C4'-P-C4' energy: -75.016 flat angles P-C4'-P energy: -38.085 tors. eta vs tors. theta energy: -85.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1034.316553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.316553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.316553 (E_RNA) where: Base-Base interactions energy: -716.853 where: short stacking energy: -289.160 Base-Backbone interact. energy: -0.193 local terms energy: -317.270342 where: bonds (distance) C4'-P energy: -63.029 bonds (distance) P-C4' energy: -57.168 flat angles C4'-P-C4' energy: -66.948 flat angles P-C4'-P energy: -47.896 tors. eta vs tors. theta energy: -82.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -890.495021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.495021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.495021 (E_RNA) where: Base-Base interactions energy: -599.845 where: short stacking energy: -265.643 Base-Backbone interact. energy: -0.756 local terms energy: -289.894272 where: bonds (distance) C4'-P energy: -53.087 bonds (distance) P-C4' energy: -54.975 flat angles C4'-P-C4' energy: -66.714 flat angles P-C4'-P energy: -41.687 tors. eta vs tors. theta energy: -73.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -896.192659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.192659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.192659 (E_RNA) where: Base-Base interactions energy: -600.734 where: short stacking energy: -258.557 Base-Backbone interact. energy: -1.276 local terms energy: -294.182550 where: bonds (distance) C4'-P energy: -53.894 bonds (distance) P-C4' energy: -64.381 flat angles C4'-P-C4' energy: -63.463 flat angles P-C4'-P energy: -34.049 tors. eta vs tors. theta energy: -78.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -796.778896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.778896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.778896 (E_RNA) where: Base-Base interactions energy: -539.931 where: short stacking energy: -247.529 Base-Backbone interact. energy: -2.224 local terms energy: -254.624238 where: bonds (distance) C4'-P energy: -57.528 bonds (distance) P-C4' energy: -54.783 flat angles C4'-P-C4' energy: -56.330 flat angles P-C4'-P energy: -38.149 tors. eta vs tors. theta energy: -47.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -750.133248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.133248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.133248 (E_RNA) where: Base-Base interactions energy: -505.423 where: short stacking energy: -215.314 Base-Backbone interact. energy: -2.313 local terms energy: -242.397855 where: bonds (distance) C4'-P energy: -47.277 bonds (distance) P-C4' energy: -59.171 flat angles C4'-P-C4' energy: -42.649 flat angles P-C4'-P energy: -44.716 tors. eta vs tors. theta energy: -48.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -520.345753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.345753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.345753 (E_RNA) where: Base-Base interactions energy: -286.771 where: short stacking energy: -144.820 Base-Backbone interact. energy: -0.179 local terms energy: -233.396476 where: bonds (distance) C4'-P energy: -57.926 bonds (distance) P-C4' energy: -59.846 flat angles C4'-P-C4' energy: -54.246 flat angles P-C4'-P energy: -31.114 tors. eta vs tors. theta energy: -30.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -410.266540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.266540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.266540 (E_RNA) where: Base-Base interactions energy: -219.393 where: short stacking energy: -126.441 Base-Backbone interact. energy: -0.528 local terms energy: -190.345581 where: bonds (distance) C4'-P energy: -39.684 bonds (distance) P-C4' energy: -59.846 flat angles C4'-P-C4' energy: -46.262 flat angles P-C4'-P energy: -33.227 tors. eta vs tors. theta energy: -11.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -285.746228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.746228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.746228 (E_RNA) where: Base-Base interactions energy: -110.641 where: short stacking energy: -85.018 Base-Backbone interact. energy: -1.468 local terms energy: -173.636888 where: bonds (distance) C4'-P energy: -60.736 bonds (distance) P-C4' energy: -51.227 flat angles C4'-P-C4' energy: -37.801 flat angles P-C4'-P energy: -22.458 tors. eta vs tors. theta energy: -1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1093.724964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.724964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.724964 (E_RNA) where: Base-Base interactions energy: -764.370 where: short stacking energy: -312.340 Base-Backbone interact. energy: -1.226 local terms energy: -328.129082 where: bonds (distance) C4'-P energy: -56.952 bonds (distance) P-C4' energy: -68.922 flat angles C4'-P-C4' energy: -73.377 flat angles P-C4'-P energy: -43.590 tors. eta vs tors. theta energy: -85.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1083.895003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.895003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.895003 (E_RNA) where: Base-Base interactions energy: -768.765 where: short stacking energy: -304.887 Base-Backbone interact. energy: -0.663 local terms energy: -314.467397 where: bonds (distance) C4'-P energy: -60.639 bonds (distance) P-C4' energy: -64.243 flat angles C4'-P-C4' energy: -70.627 flat angles P-C4'-P energy: -38.102 tors. eta vs tors. theta energy: -80.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1028.292456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.292456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.292456 (E_RNA) where: Base-Base interactions energy: -709.832 where: short stacking energy: -267.221 Base-Backbone interact. energy: -0.115 local terms energy: -318.345458 where: bonds (distance) C4'-P energy: -59.067 bonds (distance) P-C4' energy: -67.447 flat angles C4'-P-C4' energy: -69.318 flat angles P-C4'-P energy: -49.598 tors. eta vs tors. theta energy: -72.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -928.236360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.236360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.236360 (E_RNA) where: Base-Base interactions energy: -622.927 where: short stacking energy: -273.864 Base-Backbone interact. energy: -0.218 local terms energy: -305.091402 where: bonds (distance) C4'-P energy: -54.638 bonds (distance) P-C4' energy: -56.609 flat angles C4'-P-C4' energy: -70.350 flat angles P-C4'-P energy: -43.475 tors. eta vs tors. theta energy: -80.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -919.870565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.870565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.870565 (E_RNA) where: Base-Base interactions energy: -597.336 where: short stacking energy: -257.014 Base-Backbone interact. energy: -1.123 local terms energy: -321.411338 where: bonds (distance) C4'-P energy: -62.289 bonds (distance) P-C4' energy: -65.356 flat angles C4'-P-C4' energy: -66.985 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: -82.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -778.865755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.865755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.865755 (E_RNA) where: Base-Base interactions energy: -493.366 where: short stacking energy: -226.801 Base-Backbone interact. energy: 0.676 local terms energy: -286.176433 where: bonds (distance) C4'-P energy: -61.440 bonds (distance) P-C4' energy: -59.378 flat angles C4'-P-C4' energy: -53.561 flat angles P-C4'-P energy: -51.614 tors. eta vs tors. theta energy: -60.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -752.271030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.271030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.271030 (E_RNA) where: Base-Base interactions energy: -484.514 where: short stacking energy: -224.140 Base-Backbone interact. energy: 0.194 local terms energy: -267.951190 where: bonds (distance) C4'-P energy: -50.656 bonds (distance) P-C4' energy: -56.558 flat angles C4'-P-C4' energy: -66.307 flat angles P-C4'-P energy: -41.504 tors. eta vs tors. theta energy: -52.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -564.173530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.173530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.173530 (E_RNA) where: Base-Base interactions energy: -319.777 where: short stacking energy: -164.512 Base-Backbone interact. energy: -1.304 local terms energy: -243.093137 where: bonds (distance) C4'-P energy: -55.922 bonds (distance) P-C4' energy: -59.507 flat angles C4'-P-C4' energy: -51.814 flat angles P-C4'-P energy: -47.513 tors. eta vs tors. theta energy: -28.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -460.175716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.175716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.175716 (E_RNA) where: Base-Base interactions energy: -259.936 where: short stacking energy: -138.754 Base-Backbone interact. energy: 0.171 local terms energy: -200.410691 where: bonds (distance) C4'-P energy: -44.710 bonds (distance) P-C4' energy: -52.574 flat angles C4'-P-C4' energy: -33.444 flat angles P-C4'-P energy: -35.971 tors. eta vs tors. theta energy: -33.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -268.661139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.661139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.661139 (E_RNA) where: Base-Base interactions energy: -100.936 where: short stacking energy: -97.047 Base-Backbone interact. energy: 2.542 local terms energy: -170.267097 where: bonds (distance) C4'-P energy: -53.852 bonds (distance) P-C4' energy: -51.873 flat angles C4'-P-C4' energy: -36.398 flat angles P-C4'-P energy: -22.228 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1092.144949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.144949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.144949 (E_RNA) where: Base-Base interactions energy: -749.901 where: short stacking energy: -297.574 Base-Backbone interact. energy: -1.515 local terms energy: -340.728785 where: bonds (distance) C4'-P energy: -69.381 bonds (distance) P-C4' energy: -73.350 flat angles C4'-P-C4' energy: -67.521 flat angles P-C4'-P energy: -45.920 tors. eta vs tors. theta energy: -84.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1093.940426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.940426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.940426 (E_RNA) where: Base-Base interactions energy: -751.169 where: short stacking energy: -310.739 Base-Backbone interact. energy: -0.912 local terms energy: -341.860233 where: bonds (distance) C4'-P energy: -58.231 bonds (distance) P-C4' energy: -72.115 flat angles C4'-P-C4' energy: -71.600 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -93.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1029.073017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.073017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.073017 (E_RNA) where: Base-Base interactions energy: -697.107 where: short stacking energy: -278.397 Base-Backbone interact. energy: -0.120 local terms energy: -331.846181 where: bonds (distance) C4'-P energy: -68.202 bonds (distance) P-C4' energy: -64.866 flat angles C4'-P-C4' energy: -64.972 flat angles P-C4'-P energy: -55.022 tors. eta vs tors. theta energy: -78.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -964.988343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.988343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.988343 (E_RNA) where: Base-Base interactions energy: -645.518 where: short stacking energy: -280.763 Base-Backbone interact. energy: -0.333 local terms energy: -319.137534 where: bonds (distance) C4'-P energy: -65.157 bonds (distance) P-C4' energy: -60.326 flat angles C4'-P-C4' energy: -65.935 flat angles P-C4'-P energy: -48.104 tors. eta vs tors. theta energy: -79.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -898.689051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.689051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.689051 (E_RNA) where: Base-Base interactions energy: -587.146 where: short stacking energy: -263.905 Base-Backbone interact. energy: 2.204 local terms energy: -313.747221 where: bonds (distance) C4'-P energy: -68.843 bonds (distance) P-C4' energy: -60.873 flat angles C4'-P-C4' energy: -70.839 flat angles P-C4'-P energy: -31.129 tors. eta vs tors. theta energy: -82.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -782.086883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.086883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.086883 (E_RNA) where: Base-Base interactions energy: -510.241 where: short stacking energy: -244.801 Base-Backbone interact. energy: -1.441 local terms energy: -270.404494 where: bonds (distance) C4'-P energy: -61.641 bonds (distance) P-C4' energy: -46.506 flat angles C4'-P-C4' energy: -63.178 flat angles P-C4'-P energy: -30.496 tors. eta vs tors. theta energy: -68.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -713.602715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.602715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.602715 (E_RNA) where: Base-Base interactions energy: -454.065 where: short stacking energy: -199.476 Base-Backbone interact. energy: -1.080 local terms energy: -258.456810 where: bonds (distance) C4'-P energy: -44.605 bonds (distance) P-C4' energy: -60.054 flat angles C4'-P-C4' energy: -60.851 flat angles P-C4'-P energy: -39.666 tors. eta vs tors. theta energy: -53.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -508.057047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.057047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.057047 (E_RNA) where: Base-Base interactions energy: -273.665 where: short stacking energy: -164.399 Base-Backbone interact. energy: -1.011 local terms energy: -233.380615 where: bonds (distance) C4'-P energy: -56.686 bonds (distance) P-C4' energy: -52.300 flat angles C4'-P-C4' energy: -55.153 flat angles P-C4'-P energy: -39.897 tors. eta vs tors. theta energy: -29.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -414.390915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.390915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.390915 (E_RNA) where: Base-Base interactions energy: -195.513 where: short stacking energy: -127.849 Base-Backbone interact. energy: 0.756 local terms energy: -219.634369 where: bonds (distance) C4'-P energy: -48.114 bonds (distance) P-C4' energy: -62.856 flat angles C4'-P-C4' energy: -55.113 flat angles P-C4'-P energy: -24.872 tors. eta vs tors. theta energy: -28.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -253.438487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.438487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.438487 (E_RNA) where: Base-Base interactions energy: -86.434 where: short stacking energy: -64.118 Base-Backbone interact. energy: -1.353 local terms energy: -165.651386 where: bonds (distance) C4'-P energy: -54.466 bonds (distance) P-C4' energy: -53.828 flat angles C4'-P-C4' energy: -49.120 flat angles P-C4'-P energy: -32.528 tors. eta vs tors. theta energy: 24.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1095.245479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.245479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.245479 (E_RNA) where: Base-Base interactions energy: -747.805 where: short stacking energy: -319.288 Base-Backbone interact. energy: -0.787 local terms energy: -346.653101 where: bonds (distance) C4'-P energy: -69.070 bonds (distance) P-C4' energy: -68.550 flat angles C4'-P-C4' energy: -74.574 flat angles P-C4'-P energy: -40.901 tors. eta vs tors. theta energy: -93.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1116.739593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.739593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.739593 (E_RNA) where: Base-Base interactions energy: -794.703 where: short stacking energy: -331.687 Base-Backbone interact. energy: 0.751 local terms energy: -322.787684 where: bonds (distance) C4'-P energy: -59.310 bonds (distance) P-C4' energy: -55.652 flat angles C4'-P-C4' energy: -74.524 flat angles P-C4'-P energy: -39.022 tors. eta vs tors. theta energy: -94.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1026.862579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.862579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.862579 (E_RNA) where: Base-Base interactions energy: -697.618 where: short stacking energy: -285.316 Base-Backbone interact. energy: 0.321 local terms energy: -329.565021 where: bonds (distance) C4'-P energy: -66.115 bonds (distance) P-C4' energy: -70.057 flat angles C4'-P-C4' energy: -64.954 flat angles P-C4'-P energy: -54.063 tors. eta vs tors. theta energy: -74.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -972.827157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.827157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.827157 (E_RNA) where: Base-Base interactions energy: -633.497 where: short stacking energy: -284.705 Base-Backbone interact. energy: -2.979 local terms energy: -336.350856 where: bonds (distance) C4'-P energy: -60.472 bonds (distance) P-C4' energy: -62.745 flat angles C4'-P-C4' energy: -73.496 flat angles P-C4'-P energy: -49.787 tors. eta vs tors. theta energy: -89.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -824.428153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.428153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.428153 (E_RNA) where: Base-Base interactions energy: -541.411 where: short stacking energy: -255.492 Base-Backbone interact. energy: -0.654 local terms energy: -282.363203 where: bonds (distance) C4'-P energy: -58.579 bonds (distance) P-C4' energy: -52.811 flat angles C4'-P-C4' energy: -59.817 flat angles P-C4'-P energy: -42.869 tors. eta vs tors. theta energy: -68.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -840.922033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.922033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.922033 (E_RNA) where: Base-Base interactions energy: -575.508 where: short stacking energy: -255.659 Base-Backbone interact. energy: -1.280 local terms energy: -264.133901 where: bonds (distance) C4'-P energy: -61.281 bonds (distance) P-C4' energy: -43.448 flat angles C4'-P-C4' energy: -56.331 flat angles P-C4'-P energy: -37.095 tors. eta vs tors. theta energy: -65.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -731.164719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.164719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.164719 (E_RNA) where: Base-Base interactions energy: -477.742 where: short stacking energy: -208.551 Base-Backbone interact. energy: -0.426 local terms energy: -252.997094 where: bonds (distance) C4'-P energy: -61.909 bonds (distance) P-C4' energy: -56.261 flat angles C4'-P-C4' energy: -52.861 flat angles P-C4'-P energy: -35.075 tors. eta vs tors. theta energy: -46.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -491.353813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.353813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.353813 (E_RNA) where: Base-Base interactions energy: -269.606 where: short stacking energy: -152.815 Base-Backbone interact. energy: 0.634 local terms energy: -222.381504 where: bonds (distance) C4'-P energy: -48.308 bonds (distance) P-C4' energy: -48.655 flat angles C4'-P-C4' energy: -56.685 flat angles P-C4'-P energy: -40.456 tors. eta vs tors. theta energy: -28.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -436.611021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.611021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.611021 (E_RNA) where: Base-Base interactions energy: -235.335 where: short stacking energy: -136.540 Base-Backbone interact. energy: 2.758 local terms energy: -204.034187 where: bonds (distance) C4'-P energy: -38.236 bonds (distance) P-C4' energy: -59.780 flat angles C4'-P-C4' energy: -53.618 flat angles P-C4'-P energy: -25.301 tors. eta vs tors. theta energy: -27.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -259.637396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.637396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.637396 (E_RNA) where: Base-Base interactions energy: -93.968 where: short stacking energy: -55.686 Base-Backbone interact. energy: -3.138 local terms energy: -162.531075 where: bonds (distance) C4'-P energy: -48.591 bonds (distance) P-C4' energy: -58.126 flat angles C4'-P-C4' energy: -49.831 flat angles P-C4'-P energy: -24.549 tors. eta vs tors. theta energy: 18.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1086.552115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.552115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.552115 (E_RNA) where: Base-Base interactions energy: -749.525 where: short stacking energy: -299.788 Base-Backbone interact. energy: -1.267 local terms energy: -335.760069 where: bonds (distance) C4'-P energy: -60.753 bonds (distance) P-C4' energy: -63.769 flat angles C4'-P-C4' energy: -71.085 flat angles P-C4'-P energy: -45.429 tors. eta vs tors. theta energy: -94.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1117.292732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.292732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.292732 (E_RNA) where: Base-Base interactions energy: -786.247 where: short stacking energy: -319.140 Base-Backbone interact. energy: -0.239 local terms energy: -330.806029 where: bonds (distance) C4'-P energy: -56.556 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -69.646 flat angles P-C4'-P energy: -50.583 tors. eta vs tors. theta energy: -88.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1014.056147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.056147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.056147 (E_RNA) where: Base-Base interactions energy: -693.325 where: short stacking energy: -293.712 Base-Backbone interact. energy: -0.254 local terms energy: -320.477285 where: bonds (distance) C4'-P energy: -63.635 bonds (distance) P-C4' energy: -49.505 flat angles C4'-P-C4' energy: -75.805 flat angles P-C4'-P energy: -49.417 tors. eta vs tors. theta energy: -82.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -995.789753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.789753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.789753 (E_RNA) where: Base-Base interactions energy: -662.105 where: short stacking energy: -287.887 Base-Backbone interact. energy: -0.707 local terms energy: -332.977492 where: bonds (distance) C4'-P energy: -60.430 bonds (distance) P-C4' energy: -62.874 flat angles C4'-P-C4' energy: -75.863 flat angles P-C4'-P energy: -46.906 tors. eta vs tors. theta energy: -86.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -805.081131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.081131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.081131 (E_RNA) where: Base-Base interactions energy: -508.730 where: short stacking energy: -248.888 Base-Backbone interact. energy: -0.258 local terms energy: -296.092546 where: bonds (distance) C4'-P energy: -54.594 bonds (distance) P-C4' energy: -59.550 flat angles C4'-P-C4' energy: -66.854 flat angles P-C4'-P energy: -52.321 tors. eta vs tors. theta energy: -62.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -841.025788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.025788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.025788 (E_RNA) where: Base-Base interactions energy: -571.498 where: short stacking energy: -241.769 Base-Backbone interact. energy: -0.764 local terms energy: -268.763527 where: bonds (distance) C4'-P energy: -44.488 bonds (distance) P-C4' energy: -58.255 flat angles C4'-P-C4' energy: -59.127 flat angles P-C4'-P energy: -35.618 tors. eta vs tors. theta energy: -71.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -740.222385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.222385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.222385 (E_RNA) where: Base-Base interactions energy: -458.067 where: short stacking energy: -204.512 Base-Backbone interact. energy: -0.555 local terms energy: -281.599950 where: bonds (distance) C4'-P energy: -60.317 bonds (distance) P-C4' energy: -69.227 flat angles C4'-P-C4' energy: -58.312 flat angles P-C4'-P energy: -40.280 tors. eta vs tors. theta energy: -53.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -470.395200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.395200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.395200 (E_RNA) where: Base-Base interactions energy: -253.620 where: short stacking energy: -149.444 Base-Backbone interact. energy: -1.157 local terms energy: -215.618070 where: bonds (distance) C4'-P energy: -48.307 bonds (distance) P-C4' energy: -63.609 flat angles C4'-P-C4' energy: -44.373 flat angles P-C4'-P energy: -38.115 tors. eta vs tors. theta energy: -21.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -537.430445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.430445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.430445 (E_RNA) where: Base-Base interactions energy: -314.222 where: short stacking energy: -148.338 Base-Backbone interact. energy: -0.306 local terms energy: -222.902278 where: bonds (distance) C4'-P energy: -51.726 bonds (distance) P-C4' energy: -61.939 flat angles C4'-P-C4' energy: -48.643 flat angles P-C4'-P energy: -26.626 tors. eta vs tors. theta energy: -33.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -270.273626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.273626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.273626 (E_RNA) where: Base-Base interactions energy: -88.349 where: short stacking energy: -71.543 Base-Backbone interact. energy: -0.010 local terms energy: -181.914944 where: bonds (distance) C4'-P energy: -54.073 bonds (distance) P-C4' energy: -53.924 flat angles C4'-P-C4' energy: -51.329 flat angles P-C4'-P energy: -26.771 tors. eta vs tors. theta energy: 4.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1113.025110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.025110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.025110 (E_RNA) where: Base-Base interactions energy: -779.390 where: short stacking energy: -332.019 Base-Backbone interact. energy: -1.451 local terms energy: -332.183471 where: bonds (distance) C4'-P energy: -59.637 bonds (distance) P-C4' energy: -63.350 flat angles C4'-P-C4' energy: -70.821 flat angles P-C4'-P energy: -50.941 tors. eta vs tors. theta energy: -87.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1091.401767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.401767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.401767 (E_RNA) where: Base-Base interactions energy: -759.468 where: short stacking energy: -321.313 Base-Backbone interact. energy: -2.312 local terms energy: -329.622557 where: bonds (distance) C4'-P energy: -63.040 bonds (distance) P-C4' energy: -67.175 flat angles C4'-P-C4' energy: -62.279 flat angles P-C4'-P energy: -48.503 tors. eta vs tors. theta energy: -88.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -995.272350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.272350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.272350 (E_RNA) where: Base-Base interactions energy: -673.379 where: short stacking energy: -303.714 Base-Backbone interact. energy: -2.461 local terms energy: -319.432707 where: bonds (distance) C4'-P energy: -53.663 bonds (distance) P-C4' energy: -67.840 flat angles C4'-P-C4' energy: -65.573 flat angles P-C4'-P energy: -41.864 tors. eta vs tors. theta energy: -90.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -997.776303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.776303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.776303 (E_RNA) where: Base-Base interactions energy: -685.002 where: short stacking energy: -283.946 Base-Backbone interact. energy: -1.146 local terms energy: -311.627816 where: bonds (distance) C4'-P energy: -64.260 bonds (distance) P-C4' energy: -59.119 flat angles C4'-P-C4' energy: -60.890 flat angles P-C4'-P energy: -41.241 tors. eta vs tors. theta energy: -86.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -872.808970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.808970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.808970 (E_RNA) where: Base-Base interactions energy: -577.202 where: short stacking energy: -261.179 Base-Backbone interact. energy: -2.618 local terms energy: -292.988952 where: bonds (distance) C4'-P energy: -61.142 bonds (distance) P-C4' energy: -61.111 flat angles C4'-P-C4' energy: -69.422 flat angles P-C4'-P energy: -36.296 tors. eta vs tors. theta energy: -65.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -803.170865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.170865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.170865 (E_RNA) where: Base-Base interactions energy: -515.308 where: short stacking energy: -260.940 Base-Backbone interact. energy: -0.866 local terms energy: -286.997617 where: bonds (distance) C4'-P energy: -48.856 bonds (distance) P-C4' energy: -52.616 flat angles C4'-P-C4' energy: -71.622 flat angles P-C4'-P energy: -46.878 tors. eta vs tors. theta energy: -67.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -690.980856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.980856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.980856 (E_RNA) where: Base-Base interactions energy: -430.139 where: short stacking energy: -190.014 Base-Backbone interact. energy: -2.438 local terms energy: -258.404220 where: bonds (distance) C4'-P energy: -50.459 bonds (distance) P-C4' energy: -56.933 flat angles C4'-P-C4' energy: -64.861 flat angles P-C4'-P energy: -45.950 tors. eta vs tors. theta energy: -40.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -476.333323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.333323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.333323 (E_RNA) where: Base-Base interactions energy: -256.083 where: short stacking energy: -129.618 Base-Backbone interact. energy: -1.450 local terms energy: -218.800071 where: bonds (distance) C4'-P energy: -51.771 bonds (distance) P-C4' energy: -59.696 flat angles C4'-P-C4' energy: -52.130 flat angles P-C4'-P energy: -39.603 tors. eta vs tors. theta energy: -15.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -523.686183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.686183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.686183 (E_RNA) where: Base-Base interactions energy: -300.895 where: short stacking energy: -159.287 Base-Backbone interact. energy: 0.859 local terms energy: -223.649864 where: bonds (distance) C4'-P energy: -42.149 bonds (distance) P-C4' energy: -51.767 flat angles C4'-P-C4' energy: -55.719 flat angles P-C4'-P energy: -33.889 tors. eta vs tors. theta energy: -40.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -273.195398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.195398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.195398 (E_RNA) where: Base-Base interactions energy: -90.271 where: short stacking energy: -84.769 Base-Backbone interact. energy: 0.461 local terms energy: -183.385608 where: bonds (distance) C4'-P energy: -54.021 bonds (distance) P-C4' energy: -59.040 flat angles C4'-P-C4' energy: -52.422 flat angles P-C4'-P energy: -21.536 tors. eta vs tors. theta energy: 3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1123.797866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.797866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.797866 (E_RNA) where: Base-Base interactions energy: -789.244 where: short stacking energy: -314.028 Base-Backbone interact. energy: -2.132 local terms energy: -332.422067 where: bonds (distance) C4'-P energy: -60.913 bonds (distance) P-C4' energy: -59.704 flat angles C4'-P-C4' energy: -72.568 flat angles P-C4'-P energy: -53.393 tors. eta vs tors. theta energy: -85.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1081.510169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.510169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.510169 (E_RNA) where: Base-Base interactions energy: -756.523 where: short stacking energy: -312.924 Base-Backbone interact. energy: -2.254 local terms energy: -322.733245 where: bonds (distance) C4'-P energy: -62.202 bonds (distance) P-C4' energy: -56.788 flat angles C4'-P-C4' energy: -62.563 flat angles P-C4'-P energy: -50.477 tors. eta vs tors. theta energy: -90.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1002.029922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.029922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.029922 (E_RNA) where: Base-Base interactions energy: -677.289 where: short stacking energy: -297.025 Base-Backbone interact. energy: -0.303 local terms energy: -324.437308 where: bonds (distance) C4'-P energy: -58.900 bonds (distance) P-C4' energy: -71.157 flat angles C4'-P-C4' energy: -66.707 flat angles P-C4'-P energy: -45.130 tors. eta vs tors. theta energy: -82.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1017.107118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.107118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.107118 (E_RNA) where: Base-Base interactions energy: -696.674 where: short stacking energy: -287.260 Base-Backbone interact. energy: -2.694 local terms energy: -317.739031 where: bonds (distance) C4'-P energy: -66.660 bonds (distance) P-C4' energy: -58.882 flat angles C4'-P-C4' energy: -66.603 flat angles P-C4'-P energy: -45.610 tors. eta vs tors. theta energy: -79.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -898.522822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.522822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.522822 (E_RNA) where: Base-Base interactions energy: -606.955 where: short stacking energy: -260.663 Base-Backbone interact. energy: -1.332 local terms energy: -290.235801 where: bonds (distance) C4'-P energy: -59.197 bonds (distance) P-C4' energy: -52.319 flat angles C4'-P-C4' energy: -64.481 flat angles P-C4'-P energy: -41.657 tors. eta vs tors. theta energy: -72.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -780.049454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.049454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.049454 (E_RNA) where: Base-Base interactions energy: -497.195 where: short stacking energy: -222.076 Base-Backbone interact. energy: -0.556 local terms energy: -282.299119 where: bonds (distance) C4'-P energy: -56.882 bonds (distance) P-C4' energy: -53.468 flat angles C4'-P-C4' energy: -68.398 flat angles P-C4'-P energy: -45.975 tors. eta vs tors. theta energy: -57.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -747.156548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.156548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.156548 (E_RNA) where: Base-Base interactions energy: -474.737 where: short stacking energy: -225.269 Base-Backbone interact. energy: 0.267 local terms energy: -272.686654 where: bonds (distance) C4'-P energy: -53.868 bonds (distance) P-C4' energy: -66.615 flat angles C4'-P-C4' energy: -56.751 flat angles P-C4'-P energy: -44.524 tors. eta vs tors. theta energy: -50.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -534.382464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.382464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.382464 (E_RNA) where: Base-Base interactions energy: -308.408 where: short stacking energy: -162.540 Base-Backbone interact. energy: 1.442 local terms energy: -227.415813 where: bonds (distance) C4'-P energy: -48.918 bonds (distance) P-C4' energy: -50.159 flat angles C4'-P-C4' energy: -53.980 flat angles P-C4'-P energy: -43.015 tors. eta vs tors. theta energy: -31.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -464.102832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.102832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.102832 (E_RNA) where: Base-Base interactions energy: -269.828 where: short stacking energy: -155.303 Base-Backbone interact. energy: -1.268 local terms energy: -193.006320 where: bonds (distance) C4'-P energy: -42.726 bonds (distance) P-C4' energy: -49.706 flat angles C4'-P-C4' energy: -60.219 flat angles P-C4'-P energy: -17.734 tors. eta vs tors. theta energy: -22.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -273.172658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.172658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.172658 (E_RNA) where: Base-Base interactions energy: -100.720 where: short stacking energy: -71.461 Base-Backbone interact. energy: 2.665 local terms energy: -175.117828 where: bonds (distance) C4'-P energy: -55.083 bonds (distance) P-C4' energy: -58.748 flat angles C4'-P-C4' energy: -54.041 flat angles P-C4'-P energy: -16.880 tors. eta vs tors. theta energy: 9.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1145.461693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.461693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.461693 (E_RNA) where: Base-Base interactions energy: -814.929 where: short stacking energy: -329.137 Base-Backbone interact. energy: 6.078 local terms energy: -336.610707 where: bonds (distance) C4'-P energy: -64.195 bonds (distance) P-C4' energy: -60.643 flat angles C4'-P-C4' energy: -70.151 flat angles P-C4'-P energy: -49.899 tors. eta vs tors. theta energy: -91.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1081.633176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.633176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.633176 (E_RNA) where: Base-Base interactions energy: -752.614 where: short stacking energy: -309.740 Base-Backbone interact. energy: -0.466 local terms energy: -328.553019 where: bonds (distance) C4'-P energy: -62.078 bonds (distance) P-C4' energy: -60.141 flat angles C4'-P-C4' energy: -65.770 flat angles P-C4'-P energy: -54.391 tors. eta vs tors. theta energy: -86.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1025.123405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.123405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.123405 (E_RNA) where: Base-Base interactions energy: -705.630 where: short stacking energy: -294.637 Base-Backbone interact. energy: -1.765 local terms energy: -317.728646 where: bonds (distance) C4'-P energy: -58.534 bonds (distance) P-C4' energy: -62.647 flat angles C4'-P-C4' energy: -68.967 flat angles P-C4'-P energy: -40.714 tors. eta vs tors. theta energy: -86.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -982.892108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.892108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.892108 (E_RNA) where: Base-Base interactions energy: -673.597 where: short stacking energy: -295.870 Base-Backbone interact. energy: -1.704 local terms energy: -307.590749 where: bonds (distance) C4'-P energy: -52.049 bonds (distance) P-C4' energy: -56.235 flat angles C4'-P-C4' energy: -64.931 flat angles P-C4'-P energy: -45.954 tors. eta vs tors. theta energy: -88.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -904.037236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.037236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.037236 (E_RNA) where: Base-Base interactions energy: -617.010 where: short stacking energy: -258.162 Base-Backbone interact. energy: 1.589 local terms energy: -288.616467 where: bonds (distance) C4'-P energy: -61.066 bonds (distance) P-C4' energy: -59.357 flat angles C4'-P-C4' energy: -57.758 flat angles P-C4'-P energy: -39.151 tors. eta vs tors. theta energy: -71.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -796.293180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.293180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.293180 (E_RNA) where: Base-Base interactions energy: -529.718 where: short stacking energy: -250.567 Base-Backbone interact. energy: -1.882 local terms energy: -264.693546 where: bonds (distance) C4'-P energy: -51.296 bonds (distance) P-C4' energy: -53.720 flat angles C4'-P-C4' energy: -61.210 flat angles P-C4'-P energy: -33.478 tors. eta vs tors. theta energy: -64.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -751.760794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.760794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.760794 (E_RNA) where: Base-Base interactions energy: -483.067 where: short stacking energy: -249.325 Base-Backbone interact. energy: -0.446 local terms energy: -268.247879 where: bonds (distance) C4'-P energy: -59.708 bonds (distance) P-C4' energy: -54.014 flat angles C4'-P-C4' energy: -53.450 flat angles P-C4'-P energy: -34.585 tors. eta vs tors. theta energy: -66.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -510.286125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.286125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.286125 (E_RNA) where: Base-Base interactions energy: -285.943 where: short stacking energy: -157.323 Base-Backbone interact. energy: 0.814 local terms energy: -225.156738 where: bonds (distance) C4'-P energy: -49.594 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -53.234 flat angles P-C4'-P energy: -35.438 tors. eta vs tors. theta energy: -25.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -480.460564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.460564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.460564 (E_RNA) where: Base-Base interactions energy: -268.232 where: short stacking energy: -151.610 Base-Backbone interact. energy: -1.142 local terms energy: -211.087133 where: bonds (distance) C4'-P energy: -50.258 bonds (distance) P-C4' energy: -49.944 flat angles C4'-P-C4' energy: -54.629 flat angles P-C4'-P energy: -38.060 tors. eta vs tors. theta energy: -18.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -269.367794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.367794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.367794 (E_RNA) where: Base-Base interactions energy: -80.995 where: short stacking energy: -68.618 Base-Backbone interact. energy: -0.347 local terms energy: -188.025799 where: bonds (distance) C4'-P energy: -66.081 bonds (distance) P-C4' energy: -65.028 flat angles C4'-P-C4' energy: -49.050 flat angles P-C4'-P energy: -18.157 tors. eta vs tors. theta energy: 10.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1129.553052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.553052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.553052 (E_RNA) where: Base-Base interactions energy: -795.532 where: short stacking energy: -327.089 Base-Backbone interact. energy: -1.032 local terms energy: -332.989708 where: bonds (distance) C4'-P energy: -58.590 bonds (distance) P-C4' energy: -62.432 flat angles C4'-P-C4' energy: -68.730 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -89.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1091.578695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.578695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.578695 (E_RNA) where: Base-Base interactions energy: -777.196 where: short stacking energy: -320.938 Base-Backbone interact. energy: -3.106 local terms energy: -311.276664 where: bonds (distance) C4'-P energy: -53.271 bonds (distance) P-C4' energy: -49.067 flat angles C4'-P-C4' energy: -65.803 flat angles P-C4'-P energy: -50.441 tors. eta vs tors. theta energy: -92.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1018.897777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.897777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.897777 (E_RNA) where: Base-Base interactions energy: -701.377 where: short stacking energy: -281.931 Base-Backbone interact. energy: 0.077 local terms energy: -317.597276 where: bonds (distance) C4'-P energy: -64.555 bonds (distance) P-C4' energy: -69.611 flat angles C4'-P-C4' energy: -65.157 flat angles P-C4'-P energy: -43.618 tors. eta vs tors. theta energy: -74.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -945.091961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.091961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.091961 (E_RNA) where: Base-Base interactions energy: -650.904 where: short stacking energy: -272.282 Base-Backbone interact. energy: -4.121 local terms energy: -290.067206 where: bonds (distance) C4'-P energy: -53.821 bonds (distance) P-C4' energy: -55.476 flat angles C4'-P-C4' energy: -62.962 flat angles P-C4'-P energy: -32.474 tors. eta vs tors. theta energy: -85.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -908.329564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.329564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.329564 (E_RNA) where: Base-Base interactions energy: -600.821 where: short stacking energy: -263.728 Base-Backbone interact. energy: 0.334 local terms energy: -307.842643 where: bonds (distance) C4'-P energy: -59.089 bonds (distance) P-C4' energy: -64.651 flat angles C4'-P-C4' energy: -55.687 flat angles P-C4'-P energy: -40.912 tors. eta vs tors. theta energy: -87.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -813.818578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.818578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.818578 (E_RNA) where: Base-Base interactions energy: -544.641 where: short stacking energy: -257.802 Base-Backbone interact. energy: -1.610 local terms energy: -267.567897 where: bonds (distance) C4'-P energy: -42.111 bonds (distance) P-C4' energy: -55.104 flat angles C4'-P-C4' energy: -67.591 flat angles P-C4'-P energy: -33.335 tors. eta vs tors. theta energy: -69.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -742.962728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.962728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.962728 (E_RNA) where: Base-Base interactions energy: -489.819 where: short stacking energy: -201.232 Base-Backbone interact. energy: -1.791 local terms energy: -251.352462 where: bonds (distance) C4'-P energy: -52.395 bonds (distance) P-C4' energy: -49.963 flat angles C4'-P-C4' energy: -60.571 flat angles P-C4'-P energy: -28.293 tors. eta vs tors. theta energy: -60.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -518.502474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.502474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.502474 (E_RNA) where: Base-Base interactions energy: -301.952 where: short stacking energy: -144.457 Base-Backbone interact. energy: 0.155 local terms energy: -216.705789 where: bonds (distance) C4'-P energy: -54.341 bonds (distance) P-C4' energy: -58.652 flat angles C4'-P-C4' energy: -49.275 flat angles P-C4'-P energy: -35.149 tors. eta vs tors. theta energy: -19.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -441.377268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.377268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.377268 (E_RNA) where: Base-Base interactions energy: -229.462 where: short stacking energy: -133.162 Base-Backbone interact. energy: -0.748 local terms energy: -211.167031 where: bonds (distance) C4'-P energy: -51.431 bonds (distance) P-C4' energy: -52.430 flat angles C4'-P-C4' energy: -59.655 flat angles P-C4'-P energy: -31.976 tors. eta vs tors. theta energy: -15.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -280.889163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.889163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.889163 (E_RNA) where: Base-Base interactions energy: -93.218 where: short stacking energy: -83.270 Base-Backbone interact. energy: 2.286 local terms energy: -189.957427 where: bonds (distance) C4'-P energy: -40.559 bonds (distance) P-C4' energy: -57.478 flat angles C4'-P-C4' energy: -50.050 flat angles P-C4'-P energy: -39.775 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1091.432498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.432498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.432498 (E_RNA) where: Base-Base interactions energy: -748.744 where: short stacking energy: -301.340 Base-Backbone interact. energy: -1.665 local terms energy: -341.022650 where: bonds (distance) C4'-P energy: -65.809 bonds (distance) P-C4' energy: -67.750 flat angles C4'-P-C4' energy: -72.304 flat angles P-C4'-P energy: -48.817 tors. eta vs tors. theta energy: -86.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1120.697465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.697465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.697465 (E_RNA) where: Base-Base interactions energy: -785.880 where: short stacking energy: -314.887 Base-Backbone interact. energy: -1.455 local terms energy: -333.362316 where: bonds (distance) C4'-P energy: -59.792 bonds (distance) P-C4' energy: -62.006 flat angles C4'-P-C4' energy: -75.585 flat angles P-C4'-P energy: -39.367 tors. eta vs tors. theta energy: -96.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1033.100171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.100171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.100171 (E_RNA) where: Base-Base interactions energy: -731.708 where: short stacking energy: -287.455 Base-Backbone interact. energy: -0.924 local terms energy: -300.468011 where: bonds (distance) C4'-P energy: -56.687 bonds (distance) P-C4' energy: -58.977 flat angles C4'-P-C4' energy: -69.734 flat angles P-C4'-P energy: -39.372 tors. eta vs tors. theta energy: -75.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -940.664130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.664130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.664130 (E_RNA) where: Base-Base interactions energy: -621.761 where: short stacking energy: -287.847 Base-Backbone interact. energy: 1.004 local terms energy: -319.907463 where: bonds (distance) C4'-P energy: -63.622 bonds (distance) P-C4' energy: -60.412 flat angles C4'-P-C4' energy: -64.987 flat angles P-C4'-P energy: -46.738 tors. eta vs tors. theta energy: -84.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -915.625809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.625809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.625809 (E_RNA) where: Base-Base interactions energy: -611.371 where: short stacking energy: -271.176 Base-Backbone interact. energy: -0.989 local terms energy: -303.265969 where: bonds (distance) C4'-P energy: -59.368 bonds (distance) P-C4' energy: -67.161 flat angles C4'-P-C4' energy: -59.078 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -77.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -815.700574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.700574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.700574 (E_RNA) where: Base-Base interactions energy: -532.807 where: short stacking energy: -230.250 Base-Backbone interact. energy: -1.101 local terms energy: -281.792855 where: bonds (distance) C4'-P energy: -64.127 bonds (distance) P-C4' energy: -56.926 flat angles C4'-P-C4' energy: -63.417 flat angles P-C4'-P energy: -34.474 tors. eta vs tors. theta energy: -62.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -741.007911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.007911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.007911 (E_RNA) where: Base-Base interactions energy: -482.904 where: short stacking energy: -234.806 Base-Backbone interact. energy: 2.718 local terms energy: -260.822175 where: bonds (distance) C4'-P energy: -55.543 bonds (distance) P-C4' energy: -50.187 flat angles C4'-P-C4' energy: -62.363 flat angles P-C4'-P energy: -32.009 tors. eta vs tors. theta energy: -60.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -534.447149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.447149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.447149 (E_RNA) where: Base-Base interactions energy: -311.187 where: short stacking energy: -164.592 Base-Backbone interact. energy: 0.123 local terms energy: -223.383261 where: bonds (distance) C4'-P energy: -46.326 bonds (distance) P-C4' energy: -53.258 flat angles C4'-P-C4' energy: -53.680 flat angles P-C4'-P energy: -39.385 tors. eta vs tors. theta energy: -30.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -462.761102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.761102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.761102 (E_RNA) where: Base-Base interactions energy: -274.498 where: short stacking energy: -138.304 Base-Backbone interact. energy: 1.634 local terms energy: -189.897057 where: bonds (distance) C4'-P energy: -48.194 bonds (distance) P-C4' energy: -48.276 flat angles C4'-P-C4' energy: -53.652 flat angles P-C4'-P energy: -28.065 tors. eta vs tors. theta energy: -11.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -286.783284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.783284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.783284 (E_RNA) where: Base-Base interactions energy: -108.990 where: short stacking energy: -86.309 Base-Backbone interact. energy: 0.327 local terms energy: -178.119412 where: bonds (distance) C4'-P energy: -50.974 bonds (distance) P-C4' energy: -58.450 flat angles C4'-P-C4' energy: -41.008 flat angles P-C4'-P energy: -24.872 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1110.593001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.593001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.593001 (E_RNA) where: Base-Base interactions energy: -767.220 where: short stacking energy: -319.147 Base-Backbone interact. energy: -2.120 local terms energy: -341.252634 where: bonds (distance) C4'-P energy: -59.360 bonds (distance) P-C4' energy: -71.372 flat angles C4'-P-C4' energy: -73.611 flat angles P-C4'-P energy: -52.290 tors. eta vs tors. theta energy: -84.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1098.352729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.352729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.352729 (E_RNA) where: Base-Base interactions energy: -772.051 where: short stacking energy: -322.501 Base-Backbone interact. energy: -0.071 local terms energy: -326.231354 where: bonds (distance) C4'-P energy: -54.047 bonds (distance) P-C4' energy: -58.716 flat angles C4'-P-C4' energy: -77.581 flat angles P-C4'-P energy: -45.647 tors. eta vs tors. theta energy: -90.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1026.223881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.223881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.223881 (E_RNA) where: Base-Base interactions energy: -699.340 where: short stacking energy: -293.716 Base-Backbone interact. energy: -1.587 local terms energy: -325.297668 where: bonds (distance) C4'-P energy: -56.558 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -73.896 flat angles P-C4'-P energy: -46.345 tors. eta vs tors. theta energy: -88.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -970.578818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.578818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.578818 (E_RNA) where: Base-Base interactions energy: -654.495 where: short stacking energy: -298.511 Base-Backbone interact. energy: -0.242 local terms energy: -315.841509 where: bonds (distance) C4'-P energy: -62.884 bonds (distance) P-C4' energy: -53.866 flat angles C4'-P-C4' energy: -66.534 flat angles P-C4'-P energy: -44.837 tors. eta vs tors. theta energy: -87.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -896.234738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.234738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.234738 (E_RNA) where: Base-Base interactions energy: -614.069 where: short stacking energy: -261.016 Base-Backbone interact. energy: 2.952 local terms energy: -285.117067 where: bonds (distance) C4'-P energy: -56.486 bonds (distance) P-C4' energy: -50.094 flat angles C4'-P-C4' energy: -66.811 flat angles P-C4'-P energy: -43.427 tors. eta vs tors. theta energy: -68.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -823.454353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.454353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.454353 (E_RNA) where: Base-Base interactions energy: -538.540 where: short stacking energy: -264.848 Base-Backbone interact. energy: -1.147 local terms energy: -283.767464 where: bonds (distance) C4'-P energy: -59.801 bonds (distance) P-C4' energy: -62.809 flat angles C4'-P-C4' energy: -56.911 flat angles P-C4'-P energy: -28.718 tors. eta vs tors. theta energy: -75.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -746.233522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.233522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.233522 (E_RNA) where: Base-Base interactions energy: -491.068 where: short stacking energy: -216.622 Base-Backbone interact. energy: -0.926 local terms energy: -254.239715 where: bonds (distance) C4'-P energy: -45.887 bonds (distance) P-C4' energy: -46.445 flat angles C4'-P-C4' energy: -59.917 flat angles P-C4'-P energy: -35.454 tors. eta vs tors. theta energy: -66.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -526.573449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.573449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.573449 (E_RNA) where: Base-Base interactions energy: -312.300 where: short stacking energy: -155.763 Base-Backbone interact. energy: 0.378 local terms energy: -214.651713 where: bonds (distance) C4'-P energy: -59.328 bonds (distance) P-C4' energy: -41.768 flat angles C4'-P-C4' energy: -49.284 flat angles P-C4'-P energy: -32.081 tors. eta vs tors. theta energy: -32.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -484.860357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.860357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.860357 (E_RNA) where: Base-Base interactions energy: -268.248 where: short stacking energy: -136.975 Base-Backbone interact. energy: 0.486 local terms energy: -217.098020 where: bonds (distance) C4'-P energy: -55.000 bonds (distance) P-C4' energy: -47.784 flat angles C4'-P-C4' energy: -52.727 flat angles P-C4'-P energy: -31.722 tors. eta vs tors. theta energy: -29.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -288.402258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.402258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.402258 (E_RNA) where: Base-Base interactions energy: -123.551 where: short stacking energy: -99.193 Base-Backbone interact. energy: 0.839 local terms energy: -165.690133 where: bonds (distance) C4'-P energy: -54.237 bonds (distance) P-C4' energy: -52.411 flat angles C4'-P-C4' energy: -36.693 flat angles P-C4'-P energy: -28.472 tors. eta vs tors. theta energy: 6.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1101.364973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.364973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.364973 (E_RNA) where: Base-Base interactions energy: -749.033 where: short stacking energy: -311.920 Base-Backbone interact. energy: -0.945 local terms energy: -351.386409 where: bonds (distance) C4'-P energy: -65.646 bonds (distance) P-C4' energy: -72.204 flat angles C4'-P-C4' energy: -71.845 flat angles P-C4'-P energy: -50.159 tors. eta vs tors. theta energy: -91.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1099.200553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.200553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.200553 (E_RNA) where: Base-Base interactions energy: -774.931 where: short stacking energy: -333.760 Base-Backbone interact. energy: -0.703 local terms energy: -323.566298 where: bonds (distance) C4'-P energy: -58.836 bonds (distance) P-C4' energy: -62.159 flat angles C4'-P-C4' energy: -70.083 flat angles P-C4'-P energy: -33.220 tors. eta vs tors. theta energy: -99.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1037.211293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.211293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.211293 (E_RNA) where: Base-Base interactions energy: -720.924 where: short stacking energy: -293.149 Base-Backbone interact. energy: 3.322 local terms energy: -319.609945 where: bonds (distance) C4'-P energy: -55.976 bonds (distance) P-C4' energy: -62.911 flat angles C4'-P-C4' energy: -68.883 flat angles P-C4'-P energy: -42.962 tors. eta vs tors. theta energy: -88.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -947.213850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.213850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.213850 (E_RNA) where: Base-Base interactions energy: -641.014 where: short stacking energy: -293.130 Base-Backbone interact. energy: 1.953 local terms energy: -308.152535 where: bonds (distance) C4'-P energy: -54.592 bonds (distance) P-C4' energy: -53.359 flat angles C4'-P-C4' energy: -68.400 flat angles P-C4'-P energy: -48.913 tors. eta vs tors. theta energy: -82.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -866.327846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.327846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.327846 (E_RNA) where: Base-Base interactions energy: -567.762 where: short stacking energy: -235.126 Base-Backbone interact. energy: -0.566 local terms energy: -297.999652 where: bonds (distance) C4'-P energy: -66.767 bonds (distance) P-C4' energy: -66.060 flat angles C4'-P-C4' energy: -57.706 flat angles P-C4'-P energy: -43.487 tors. eta vs tors. theta energy: -63.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -807.121191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.121191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.121191 (E_RNA) where: Base-Base interactions energy: -503.180 where: short stacking energy: -246.660 Base-Backbone interact. energy: -2.224 local terms energy: -301.716715 where: bonds (distance) C4'-P energy: -56.206 bonds (distance) P-C4' energy: -63.302 flat angles C4'-P-C4' energy: -64.483 flat angles P-C4'-P energy: -43.309 tors. eta vs tors. theta energy: -74.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -769.582259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.582259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.582259 (E_RNA) where: Base-Base interactions energy: -511.833 where: short stacking energy: -224.818 Base-Backbone interact. energy: -1.908 local terms energy: -255.841440 where: bonds (distance) C4'-P energy: -46.204 bonds (distance) P-C4' energy: -54.665 flat angles C4'-P-C4' energy: -59.695 flat angles P-C4'-P energy: -35.806 tors. eta vs tors. theta energy: -59.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -593.074947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.074947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.074947 (E_RNA) where: Base-Base interactions energy: -351.019 where: short stacking energy: -167.302 Base-Backbone interact. energy: 0.288 local terms energy: -242.343743 where: bonds (distance) C4'-P energy: -50.431 bonds (distance) P-C4' energy: -63.221 flat angles C4'-P-C4' energy: -62.835 flat angles P-C4'-P energy: -38.585 tors. eta vs tors. theta energy: -27.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -437.110306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.110306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.110306 (E_RNA) where: Base-Base interactions energy: -229.058 where: short stacking energy: -126.739 Base-Backbone interact. energy: 0.024 local terms energy: -208.076017 where: bonds (distance) C4'-P energy: -56.926 bonds (distance) P-C4' energy: -56.869 flat angles C4'-P-C4' energy: -52.197 flat angles P-C4'-P energy: -19.410 tors. eta vs tors. theta energy: -22.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -268.283212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.283212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.283212 (E_RNA) where: Base-Base interactions energy: -74.309 where: short stacking energy: -62.857 Base-Backbone interact. energy: -1.695 local terms energy: -192.279471 where: bonds (distance) C4'-P energy: -52.965 bonds (distance) P-C4' energy: -58.034 flat angles C4'-P-C4' energy: -51.671 flat angles P-C4'-P energy: -32.181 tors. eta vs tors. theta energy: 2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1118.106061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.106061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.106061 (E_RNA) where: Base-Base interactions energy: -785.995 where: short stacking energy: -309.611 Base-Backbone interact. energy: -2.243 local terms energy: -329.868448 where: bonds (distance) C4'-P energy: -63.509 bonds (distance) P-C4' energy: -61.086 flat angles C4'-P-C4' energy: -69.714 flat angles P-C4'-P energy: -49.666 tors. eta vs tors. theta energy: -85.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1087.636745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.636745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.636745 (E_RNA) where: Base-Base interactions energy: -761.576 where: short stacking energy: -319.165 Base-Backbone interact. energy: 1.323 local terms energy: -327.384199 where: bonds (distance) C4'-P energy: -60.566 bonds (distance) P-C4' energy: -58.294 flat angles C4'-P-C4' energy: -75.845 flat angles P-C4'-P energy: -44.207 tors. eta vs tors. theta energy: -88.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1025.319859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.319859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.319859 (E_RNA) where: Base-Base interactions energy: -697.812 where: short stacking energy: -279.418 Base-Backbone interact. energy: 0.207 local terms energy: -327.714513 where: bonds (distance) C4'-P energy: -61.994 bonds (distance) P-C4' energy: -66.549 flat angles C4'-P-C4' energy: -70.364 flat angles P-C4'-P energy: -43.739 tors. eta vs tors. theta energy: -85.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -975.740655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.740655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.740655 (E_RNA) where: Base-Base interactions energy: -631.528 where: short stacking energy: -303.363 Base-Backbone interact. energy: 0.985 local terms energy: -345.196809 where: bonds (distance) C4'-P energy: -63.691 bonds (distance) P-C4' energy: -66.484 flat angles C4'-P-C4' energy: -71.668 flat angles P-C4'-P energy: -45.557 tors. eta vs tors. theta energy: -97.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -894.479136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.479136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.479136 (E_RNA) where: Base-Base interactions energy: -609.971 where: short stacking energy: -261.859 Base-Backbone interact. energy: -0.541 local terms energy: -283.967395 where: bonds (distance) C4'-P energy: -58.083 bonds (distance) P-C4' energy: -57.131 flat angles C4'-P-C4' energy: -62.745 flat angles P-C4'-P energy: -42.543 tors. eta vs tors. theta energy: -63.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -828.633415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.633415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.633415 (E_RNA) where: Base-Base interactions energy: -531.637 where: short stacking energy: -261.903 Base-Backbone interact. energy: -2.805 local terms energy: -294.191941 where: bonds (distance) C4'-P energy: -58.231 bonds (distance) P-C4' energy: -49.460 flat angles C4'-P-C4' energy: -72.341 flat angles P-C4'-P energy: -47.511 tors. eta vs tors. theta energy: -66.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -758.399911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.399911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.399911 (E_RNA) where: Base-Base interactions energy: -491.349 where: short stacking energy: -216.280 Base-Backbone interact. energy: -0.270 local terms energy: -266.780690 where: bonds (distance) C4'-P energy: -54.434 bonds (distance) P-C4' energy: -63.980 flat angles C4'-P-C4' energy: -56.102 flat angles P-C4'-P energy: -37.144 tors. eta vs tors. theta energy: -55.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -616.338531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.338531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.338531 (E_RNA) where: Base-Base interactions energy: -396.108 where: short stacking energy: -201.416 Base-Backbone interact. energy: 2.539 local terms energy: -222.769815 where: bonds (distance) C4'-P energy: -43.667 bonds (distance) P-C4' energy: -43.515 flat angles C4'-P-C4' energy: -58.509 flat angles P-C4'-P energy: -34.765 tors. eta vs tors. theta energy: -42.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -432.192733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.192733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.192733 (E_RNA) where: Base-Base interactions energy: -247.303 where: short stacking energy: -133.358 Base-Backbone interact. energy: -0.820 local terms energy: -184.069322 where: bonds (distance) C4'-P energy: -48.400 bonds (distance) P-C4' energy: -59.736 flat angles C4'-P-C4' energy: -40.084 flat angles P-C4'-P energy: -27.786 tors. eta vs tors. theta energy: -8.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -280.498639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.498639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.498639 (E_RNA) where: Base-Base interactions energy: -142.022 where: short stacking energy: -73.836 Base-Backbone interact. energy: 2.892 local terms energy: -141.368485 where: bonds (distance) C4'-P energy: -35.937 bonds (distance) P-C4' energy: -42.147 flat angles C4'-P-C4' energy: -44.030 flat angles P-C4'-P energy: -29.209 tors. eta vs tors. theta energy: 9.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1086.761551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.761551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.761551 (E_RNA) where: Base-Base interactions energy: -756.368 where: short stacking energy: -283.900 Base-Backbone interact. energy: -0.645 local terms energy: -329.749019 where: bonds (distance) C4'-P energy: -61.774 bonds (distance) P-C4' energy: -65.222 flat angles C4'-P-C4' energy: -71.543 flat angles P-C4'-P energy: -52.114 tors. eta vs tors. theta energy: -79.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1068.492741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.492741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.492741 (E_RNA) where: Base-Base interactions energy: -753.908 where: short stacking energy: -309.819 Base-Backbone interact. energy: -0.045 local terms energy: -314.539232 where: bonds (distance) C4'-P energy: -51.865 bonds (distance) P-C4' energy: -65.625 flat angles C4'-P-C4' energy: -68.667 flat angles P-C4'-P energy: -50.563 tors. eta vs tors. theta energy: -77.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1054.647088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.647088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.647088 (E_RNA) where: Base-Base interactions energy: -715.769 where: short stacking energy: -306.817 Base-Backbone interact. energy: -1.503 local terms energy: -337.375509 where: bonds (distance) C4'-P energy: -68.654 bonds (distance) P-C4' energy: -63.482 flat angles C4'-P-C4' energy: -70.723 flat angles P-C4'-P energy: -40.070 tors. eta vs tors. theta energy: -94.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -969.195304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.195304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.195304 (E_RNA) where: Base-Base interactions energy: -643.802 where: short stacking energy: -275.905 Base-Backbone interact. energy: -0.005 local terms energy: -325.387979 where: bonds (distance) C4'-P energy: -59.478 bonds (distance) P-C4' energy: -64.492 flat angles C4'-P-C4' energy: -73.999 flat angles P-C4'-P energy: -37.413 tors. eta vs tors. theta energy: -90.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -917.516164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.516164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.516164 (E_RNA) where: Base-Base interactions energy: -625.982 where: short stacking energy: -257.181 Base-Backbone interact. energy: 0.923 local terms energy: -292.456717 where: bonds (distance) C4'-P energy: -55.763 bonds (distance) P-C4' energy: -59.680 flat angles C4'-P-C4' energy: -60.337 flat angles P-C4'-P energy: -37.831 tors. eta vs tors. theta energy: -78.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -811.704507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.704507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.704507 (E_RNA) where: Base-Base interactions energy: -528.620 where: short stacking energy: -260.809 Base-Backbone interact. energy: 2.517 local terms energy: -285.601101 where: bonds (distance) C4'-P energy: -51.347 bonds (distance) P-C4' energy: -59.440 flat angles C4'-P-C4' energy: -62.038 flat angles P-C4'-P energy: -45.717 tors. eta vs tors. theta energy: -67.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -774.595379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.595379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.595379 (E_RNA) where: Base-Base interactions energy: -492.706 where: short stacking energy: -234.737 Base-Backbone interact. energy: 0.483 local terms energy: -282.371777 where: bonds (distance) C4'-P energy: -55.526 bonds (distance) P-C4' energy: -62.525 flat angles C4'-P-C4' energy: -58.960 flat angles P-C4'-P energy: -40.124 tors. eta vs tors. theta energy: -65.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -604.161600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.161600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.161600 (E_RNA) where: Base-Base interactions energy: -348.595 where: short stacking energy: -167.761 Base-Backbone interact. energy: -0.797 local terms energy: -254.769626 where: bonds (distance) C4'-P energy: -58.743 bonds (distance) P-C4' energy: -58.327 flat angles C4'-P-C4' energy: -59.667 flat angles P-C4'-P energy: -42.248 tors. eta vs tors. theta energy: -35.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -443.505977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.505977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.505977 (E_RNA) where: Base-Base interactions energy: -227.763 where: short stacking energy: -122.270 Base-Backbone interact. energy: 1.375 local terms energy: -217.117350 where: bonds (distance) C4'-P energy: -54.348 bonds (distance) P-C4' energy: -55.894 flat angles C4'-P-C4' energy: -59.116 flat angles P-C4'-P energy: -30.341 tors. eta vs tors. theta energy: -17.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -307.439917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.439917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.439917 (E_RNA) where: Base-Base interactions energy: -134.404 where: short stacking energy: -74.102 Base-Backbone interact. energy: -0.341 local terms energy: -172.695084 where: bonds (distance) C4'-P energy: -59.455 bonds (distance) P-C4' energy: -63.507 flat angles C4'-P-C4' energy: -39.440 flat angles P-C4'-P energy: -22.262 tors. eta vs tors. theta energy: 11.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1117.662119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.662119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.662119 (E_RNA) where: Base-Base interactions energy: -771.952 where: short stacking energy: -327.255 Base-Backbone interact. energy: -0.372 local terms energy: -345.338242 where: bonds (distance) C4'-P energy: -65.089 bonds (distance) P-C4' energy: -65.317 flat angles C4'-P-C4' energy: -68.457 flat angles P-C4'-P energy: -50.295 tors. eta vs tors. theta energy: -96.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1085.732455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.732455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.732455 (E_RNA) where: Base-Base interactions energy: -736.220 where: short stacking energy: -311.076 Base-Backbone interact. energy: 0.271 local terms energy: -349.783676 where: bonds (distance) C4'-P energy: -60.593 bonds (distance) P-C4' energy: -66.759 flat angles C4'-P-C4' energy: -73.511 flat angles P-C4'-P energy: -48.676 tors. eta vs tors. theta energy: -100.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1050.693417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.693417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.693417 (E_RNA) where: Base-Base interactions energy: -735.668 where: short stacking energy: -305.953 Base-Backbone interact. energy: -0.687 local terms energy: -314.338370 where: bonds (distance) C4'-P energy: -54.198 bonds (distance) P-C4' energy: -62.760 flat angles C4'-P-C4' energy: -67.312 flat angles P-C4'-P energy: -39.279 tors. eta vs tors. theta energy: -90.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -945.144098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.144098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.144098 (E_RNA) where: Base-Base interactions energy: -632.207 where: short stacking energy: -287.243 Base-Backbone interact. energy: -1.172 local terms energy: -311.765670 where: bonds (distance) C4'-P energy: -61.400 bonds (distance) P-C4' energy: -58.956 flat angles C4'-P-C4' energy: -63.715 flat angles P-C4'-P energy: -46.229 tors. eta vs tors. theta energy: -81.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -924.930298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.930298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.930298 (E_RNA) where: Base-Base interactions energy: -626.123 where: short stacking energy: -268.157 Base-Backbone interact. energy: 0.009 local terms energy: -298.816374 where: bonds (distance) C4'-P energy: -59.247 bonds (distance) P-C4' energy: -64.673 flat angles C4'-P-C4' energy: -54.755 flat angles P-C4'-P energy: -39.284 tors. eta vs tors. theta energy: -80.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -799.546643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.546643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.546643 (E_RNA) where: Base-Base interactions energy: -504.474 where: short stacking energy: -232.428 Base-Backbone interact. energy: -2.048 local terms energy: -293.024162 where: bonds (distance) C4'-P energy: -65.874 bonds (distance) P-C4' energy: -62.113 flat angles C4'-P-C4' energy: -64.007 flat angles P-C4'-P energy: -44.612 tors. eta vs tors. theta energy: -56.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -794.756542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.756542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.756542 (E_RNA) where: Base-Base interactions energy: -509.161 where: short stacking energy: -214.732 Base-Backbone interact. energy: -2.020 local terms energy: -283.575690 where: bonds (distance) C4'-P energy: -51.974 bonds (distance) P-C4' energy: -64.634 flat angles C4'-P-C4' energy: -57.371 flat angles P-C4'-P energy: -45.526 tors. eta vs tors. theta energy: -64.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -572.897687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.897687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.897687 (E_RNA) where: Base-Base interactions energy: -321.359 where: short stacking energy: -172.941 Base-Backbone interact. energy: -1.086 local terms energy: -250.453136 where: bonds (distance) C4'-P energy: -57.149 bonds (distance) P-C4' energy: -69.116 flat angles C4'-P-C4' energy: -60.255 flat angles P-C4'-P energy: -31.743 tors. eta vs tors. theta energy: -32.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -464.816318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.816318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.816318 (E_RNA) where: Base-Base interactions energy: -247.894 where: short stacking energy: -146.708 Base-Backbone interact. energy: -0.977 local terms energy: -215.944593 where: bonds (distance) C4'-P energy: -52.118 bonds (distance) P-C4' energy: -62.216 flat angles C4'-P-C4' energy: -38.151 flat angles P-C4'-P energy: -30.693 tors. eta vs tors. theta energy: -32.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -290.361270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.361270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.361270 (E_RNA) where: Base-Base interactions energy: -121.398 where: short stacking energy: -77.157 Base-Backbone interact. energy: 0.238 local terms energy: -169.201447 where: bonds (distance) C4'-P energy: -54.364 bonds (distance) P-C4' energy: -52.867 flat angles C4'-P-C4' energy: -54.644 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: 3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1122.703493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.703493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.703493 (E_RNA) where: Base-Base interactions energy: -783.416 where: short stacking energy: -322.414 Base-Backbone interact. energy: -0.634 local terms energy: -338.654092 where: bonds (distance) C4'-P energy: -70.021 bonds (distance) P-C4' energy: -66.614 flat angles C4'-P-C4' energy: -68.993 flat angles P-C4'-P energy: -48.289 tors. eta vs tors. theta energy: -84.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1082.670929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.670929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.670929 (E_RNA) where: Base-Base interactions energy: -748.751 where: short stacking energy: -314.394 Base-Backbone interact. energy: -0.371 local terms energy: -333.549048 where: bonds (distance) C4'-P energy: -65.407 bonds (distance) P-C4' energy: -59.147 flat angles C4'-P-C4' energy: -68.943 flat angles P-C4'-P energy: -46.159 tors. eta vs tors. theta energy: -93.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1055.198048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.198048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.198048 (E_RNA) where: Base-Base interactions energy: -734.172 where: short stacking energy: -300.909 Base-Backbone interact. energy: -1.206 local terms energy: -319.820201 where: bonds (distance) C4'-P energy: -66.703 bonds (distance) P-C4' energy: -60.140 flat angles C4'-P-C4' energy: -63.409 flat angles P-C4'-P energy: -42.503 tors. eta vs tors. theta energy: -87.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -947.323759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.323759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.323759 (E_RNA) where: Base-Base interactions energy: -644.289 where: short stacking energy: -283.393 Base-Backbone interact. energy: -0.879 local terms energy: -302.155800 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -60.137 flat angles C4'-P-C4' energy: -62.988 flat angles P-C4'-P energy: -37.702 tors. eta vs tors. theta energy: -82.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -918.724758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.724758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.724758 (E_RNA) where: Base-Base interactions energy: -604.004 where: short stacking energy: -273.038 Base-Backbone interact. energy: 2.884 local terms energy: -317.604980 where: bonds (distance) C4'-P energy: -66.424 bonds (distance) P-C4' energy: -59.075 flat angles C4'-P-C4' energy: -65.864 flat angles P-C4'-P energy: -42.031 tors. eta vs tors. theta energy: -84.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -776.506241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.506241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.506241 (E_RNA) where: Base-Base interactions energy: -509.673 where: short stacking energy: -225.622 Base-Backbone interact. energy: 1.767 local terms energy: -268.599814 where: bonds (distance) C4'-P energy: -46.870 bonds (distance) P-C4' energy: -52.648 flat angles C4'-P-C4' energy: -64.832 flat angles P-C4'-P energy: -38.876 tors. eta vs tors. theta energy: -65.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -801.771936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.771936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.771936 (E_RNA) where: Base-Base interactions energy: -520.076 where: short stacking energy: -242.369 Base-Backbone interact. energy: -2.707 local terms energy: -278.989091 where: bonds (distance) C4'-P energy: -55.995 bonds (distance) P-C4' energy: -57.092 flat angles C4'-P-C4' energy: -63.030 flat angles P-C4'-P energy: -37.521 tors. eta vs tors. theta energy: -65.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -610.936655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.936655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.936655 (E_RNA) where: Base-Base interactions energy: -388.451 where: short stacking energy: -198.631 Base-Backbone interact. energy: -0.948 local terms energy: -221.537586 where: bonds (distance) C4'-P energy: -58.406 bonds (distance) P-C4' energy: -47.457 flat angles C4'-P-C4' energy: -59.653 flat angles P-C4'-P energy: -25.447 tors. eta vs tors. theta energy: -30.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -452.419974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.419974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.419974 (E_RNA) where: Base-Base interactions energy: -246.394 where: short stacking energy: -118.747 Base-Backbone interact. energy: -0.685 local terms energy: -205.340974 where: bonds (distance) C4'-P energy: -48.076 bonds (distance) P-C4' energy: -52.537 flat angles C4'-P-C4' energy: -54.640 flat angles P-C4'-P energy: -33.339 tors. eta vs tors. theta energy: -16.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -254.134984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.134984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.134984 (E_RNA) where: Base-Base interactions energy: -90.512 where: short stacking energy: -80.962 Base-Backbone interact. energy: -1.216 local terms energy: -162.406981 where: bonds (distance) C4'-P energy: -49.281 bonds (distance) P-C4' energy: -59.501 flat angles C4'-P-C4' energy: -47.801 flat angles P-C4'-P energy: -14.058 tors. eta vs tors. theta energy: 8.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1105.759633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.759633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.759633 (E_RNA) where: Base-Base interactions energy: -765.017 where: short stacking energy: -320.357 Base-Backbone interact. energy: 0.806 local terms energy: -341.548522 where: bonds (distance) C4'-P energy: -61.420 bonds (distance) P-C4' energy: -70.514 flat angles C4'-P-C4' energy: -75.863 flat angles P-C4'-P energy: -48.731 tors. eta vs tors. theta energy: -85.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1085.740224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.740224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.740224 (E_RNA) where: Base-Base interactions energy: -756.856 where: short stacking energy: -306.116 Base-Backbone interact. energy: -1.110 local terms energy: -327.774732 where: bonds (distance) C4'-P energy: -60.306 bonds (distance) P-C4' energy: -58.851 flat angles C4'-P-C4' energy: -75.346 flat angles P-C4'-P energy: -41.804 tors. eta vs tors. theta energy: -91.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1046.109855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.109855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.109855 (E_RNA) where: Base-Base interactions energy: -721.319 where: short stacking energy: -291.336 Base-Backbone interact. energy: 6.579 local terms energy: -331.369118 where: bonds (distance) C4'-P energy: -71.991 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -69.057 flat angles P-C4'-P energy: -52.040 tors. eta vs tors. theta energy: -78.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -959.775523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.775523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.775523 (E_RNA) where: Base-Base interactions energy: -651.310 where: short stacking energy: -294.223 Base-Backbone interact. energy: -0.381 local terms energy: -308.084523 where: bonds (distance) C4'-P energy: -56.839 bonds (distance) P-C4' energy: -69.114 flat angles C4'-P-C4' energy: -61.327 flat angles P-C4'-P energy: -38.791 tors. eta vs tors. theta energy: -82.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -892.738515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.738515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.738515 (E_RNA) where: Base-Base interactions energy: -605.569 where: short stacking energy: -256.979 Base-Backbone interact. energy: -1.301 local terms energy: -285.868005 where: bonds (distance) C4'-P energy: -55.737 bonds (distance) P-C4' energy: -54.601 flat angles C4'-P-C4' energy: -60.810 flat angles P-C4'-P energy: -47.350 tors. eta vs tors. theta energy: -67.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -808.828973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.828973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.828973 (E_RNA) where: Base-Base interactions energy: -533.222 where: short stacking energy: -256.372 Base-Backbone interact. energy: 1.318 local terms energy: -276.924461 where: bonds (distance) C4'-P energy: -59.860 bonds (distance) P-C4' energy: -44.918 flat angles C4'-P-C4' energy: -65.077 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: -69.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -759.486255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.486255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.486255 (E_RNA) where: Base-Base interactions energy: -496.608 where: short stacking energy: -216.630 Base-Backbone interact. energy: -0.849 local terms energy: -262.029734 where: bonds (distance) C4'-P energy: -46.812 bonds (distance) P-C4' energy: -39.381 flat angles C4'-P-C4' energy: -64.695 flat angles P-C4'-P energy: -49.727 tors. eta vs tors. theta energy: -61.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -628.127813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.127813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.127813 (E_RNA) where: Base-Base interactions energy: -380.864 where: short stacking energy: -185.707 Base-Backbone interact. energy: -1.562 local terms energy: -245.701471 where: bonds (distance) C4'-P energy: -59.648 bonds (distance) P-C4' energy: -69.526 flat angles C4'-P-C4' energy: -49.151 flat angles P-C4'-P energy: -30.682 tors. eta vs tors. theta energy: -36.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -437.895928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.895928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.895928 (E_RNA) where: Base-Base interactions energy: -232.250 where: short stacking energy: -140.655 Base-Backbone interact. energy: -1.788 local terms energy: -203.857184 where: bonds (distance) C4'-P energy: -51.642 bonds (distance) P-C4' energy: -52.133 flat angles C4'-P-C4' energy: -62.060 flat angles P-C4'-P energy: -22.965 tors. eta vs tors. theta energy: -15.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -263.911728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.911728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.911728 (E_RNA) where: Base-Base interactions energy: -78.018 where: short stacking energy: -73.877 Base-Backbone interact. energy: -1.432 local terms energy: -184.460912 where: bonds (distance) C4'-P energy: -45.594 bonds (distance) P-C4' energy: -61.330 flat angles C4'-P-C4' energy: -43.960 flat angles P-C4'-P energy: -34.028 tors. eta vs tors. theta energy: 0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1093.180871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.180871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.180871 (E_RNA) where: Base-Base interactions energy: -783.885 where: short stacking energy: -309.061 Base-Backbone interact. energy: -0.646 local terms energy: -308.650606 where: bonds (distance) C4'-P energy: -42.848 bonds (distance) P-C4' energy: -66.993 flat angles C4'-P-C4' energy: -74.091 flat angles P-C4'-P energy: -34.068 tors. eta vs tors. theta energy: -90.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1100.420326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.420326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.420326 (E_RNA) where: Base-Base interactions energy: -779.866 where: short stacking energy: -317.607 Base-Backbone interact. energy: -0.640 local terms energy: -319.913893 where: bonds (distance) C4'-P energy: -63.113 bonds (distance) P-C4' energy: -63.125 flat angles C4'-P-C4' energy: -63.815 flat angles P-C4'-P energy: -37.289 tors. eta vs tors. theta energy: -92.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1064.965562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.965562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.965562 (E_RNA) where: Base-Base interactions energy: -729.510 where: short stacking energy: -300.710 Base-Backbone interact. energy: -1.097 local terms energy: -334.359306 where: bonds (distance) C4'-P energy: -59.299 bonds (distance) P-C4' energy: -67.488 flat angles C4'-P-C4' energy: -70.974 flat angles P-C4'-P energy: -47.087 tors. eta vs tors. theta energy: -89.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -992.405496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.405496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.405496 (E_RNA) where: Base-Base interactions energy: -682.147 where: short stacking energy: -314.654 Base-Backbone interact. energy: 3.970 local terms energy: -314.228993 where: bonds (distance) C4'-P energy: -58.539 bonds (distance) P-C4' energy: -55.282 flat angles C4'-P-C4' energy: -65.559 flat angles P-C4'-P energy: -48.659 tors. eta vs tors. theta energy: -86.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -863.739143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.739143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.739143 (E_RNA) where: Base-Base interactions energy: -586.949 where: short stacking energy: -248.482 Base-Backbone interact. energy: -1.428 local terms energy: -275.362006 where: bonds (distance) C4'-P energy: -49.199 bonds (distance) P-C4' energy: -58.245 flat angles C4'-P-C4' energy: -61.452 flat angles P-C4'-P energy: -42.221 tors. eta vs tors. theta energy: -64.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -809.291354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.291354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.291354 (E_RNA) where: Base-Base interactions energy: -521.014 where: short stacking energy: -246.980 Base-Backbone interact. energy: -1.770 local terms energy: -286.507379 where: bonds (distance) C4'-P energy: -58.747 bonds (distance) P-C4' energy: -54.855 flat angles C4'-P-C4' energy: -68.793 flat angles P-C4'-P energy: -41.702 tors. eta vs tors. theta energy: -62.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -768.600782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.600782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.600782 (E_RNA) where: Base-Base interactions energy: -478.944 where: short stacking energy: -230.233 Base-Backbone interact. energy: -1.750 local terms energy: -287.907487 where: bonds (distance) C4'-P energy: -58.079 bonds (distance) P-C4' energy: -56.072 flat angles C4'-P-C4' energy: -71.233 flat angles P-C4'-P energy: -42.426 tors. eta vs tors. theta energy: -60.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -602.337443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.337443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.337443 (E_RNA) where: Base-Base interactions energy: -373.168 where: short stacking energy: -173.035 Base-Backbone interact. energy: 3.972 local terms energy: -233.140792 where: bonds (distance) C4'-P energy: -51.601 bonds (distance) P-C4' energy: -49.507 flat angles C4'-P-C4' energy: -50.385 flat angles P-C4'-P energy: -45.618 tors. eta vs tors. theta energy: -36.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -420.377607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.377607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.377607 (E_RNA) where: Base-Base interactions energy: -207.351 where: short stacking energy: -111.354 Base-Backbone interact. energy: -0.868 local terms energy: -212.158502 where: bonds (distance) C4'-P energy: -58.689 bonds (distance) P-C4' energy: -50.981 flat angles C4'-P-C4' energy: -51.327 flat angles P-C4'-P energy: -33.745 tors. eta vs tors. theta energy: -17.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -266.594630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.594630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.594630 (E_RNA) where: Base-Base interactions energy: -92.678 where: short stacking energy: -91.511 Base-Backbone interact. energy: -2.187 local terms energy: -171.729062 where: bonds (distance) C4'-P energy: -38.861 bonds (distance) P-C4' energy: -56.834 flat angles C4'-P-C4' energy: -45.077 flat angles P-C4'-P energy: -38.640 tors. eta vs tors. theta energy: 7.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1121.783468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.783468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.783468 (E_RNA) where: Base-Base interactions energy: -793.286 where: short stacking energy: -312.194 Base-Backbone interact. energy: -1.071 local terms energy: -327.426562 where: bonds (distance) C4'-P energy: -57.233 bonds (distance) P-C4' energy: -64.282 flat angles C4'-P-C4' energy: -69.112 flat angles P-C4'-P energy: -49.429 tors. eta vs tors. theta energy: -87.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1090.821867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.821867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.821867 (E_RNA) where: Base-Base interactions energy: -778.078 where: short stacking energy: -294.436 Base-Backbone interact. energy: -0.963 local terms energy: -311.781036 where: bonds (distance) C4'-P energy: -55.095 bonds (distance) P-C4' energy: -57.656 flat angles C4'-P-C4' energy: -66.388 flat angles P-C4'-P energy: -41.266 tors. eta vs tors. theta energy: -91.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1066.569068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.569068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.569068 (E_RNA) where: Base-Base interactions energy: -739.605 where: short stacking energy: -306.996 Base-Backbone interact. energy: -1.326 local terms energy: -325.638343 where: bonds (distance) C4'-P energy: -55.727 bonds (distance) P-C4' energy: -68.168 flat angles C4'-P-C4' energy: -65.775 flat angles P-C4'-P energy: -48.356 tors. eta vs tors. theta energy: -87.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -995.601642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.601642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.601642 (E_RNA) where: Base-Base interactions energy: -675.447 where: short stacking energy: -301.042 Base-Backbone interact. energy: -0.246 local terms energy: -319.909243 where: bonds (distance) C4'-P energy: -57.283 bonds (distance) P-C4' energy: -57.394 flat angles C4'-P-C4' energy: -68.689 flat angles P-C4'-P energy: -50.110 tors. eta vs tors. theta energy: -86.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -882.905995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.905995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.905995 (E_RNA) where: Base-Base interactions energy: -589.350 where: short stacking energy: -264.957 Base-Backbone interact. energy: -0.885 local terms energy: -292.671388 where: bonds (distance) C4'-P energy: -55.569 bonds (distance) P-C4' energy: -52.953 flat angles C4'-P-C4' energy: -67.392 flat angles P-C4'-P energy: -46.573 tors. eta vs tors. theta energy: -70.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -813.894050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.894050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.894050 (E_RNA) where: Base-Base interactions energy: -519.306 where: short stacking energy: -250.848 Base-Backbone interact. energy: -0.791 local terms energy: -293.797339 where: bonds (distance) C4'-P energy: -60.894 bonds (distance) P-C4' energy: -63.500 flat angles C4'-P-C4' energy: -58.615 flat angles P-C4'-P energy: -40.894 tors. eta vs tors. theta energy: -69.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -776.292025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.292025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.292025 (E_RNA) where: Base-Base interactions energy: -500.961 where: short stacking energy: -234.106 Base-Backbone interact. energy: -1.385 local terms energy: -273.946204 where: bonds (distance) C4'-P energy: -44.635 bonds (distance) P-C4' energy: -52.163 flat angles C4'-P-C4' energy: -69.640 flat angles P-C4'-P energy: -48.139 tors. eta vs tors. theta energy: -59.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -621.317461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.317461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.317461 (E_RNA) where: Base-Base interactions energy: -393.190 where: short stacking energy: -181.681 Base-Backbone interact. energy: 2.104 local terms energy: -230.231587 where: bonds (distance) C4'-P energy: -52.193 bonds (distance) P-C4' energy: -55.329 flat angles C4'-P-C4' energy: -49.698 flat angles P-C4'-P energy: -39.093 tors. eta vs tors. theta energy: -33.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -469.430216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.430216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.430216 (E_RNA) where: Base-Base interactions energy: -249.088 where: short stacking energy: -166.137 Base-Backbone interact. energy: -0.600 local terms energy: -219.741815 where: bonds (distance) C4'-P energy: -52.944 bonds (distance) P-C4' energy: -56.104 flat angles C4'-P-C4' energy: -44.591 flat angles P-C4'-P energy: -33.459 tors. eta vs tors. theta energy: -32.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -267.142751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.142751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.142751 (E_RNA) where: Base-Base interactions energy: -104.555 where: short stacking energy: -77.770 Base-Backbone interact. energy: -0.194 local terms energy: -162.393429 where: bonds (distance) C4'-P energy: -47.301 bonds (distance) P-C4' energy: -59.144 flat angles C4'-P-C4' energy: -46.349 flat angles P-C4'-P energy: -16.543 tors. eta vs tors. theta energy: 6.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1123.754205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.754205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.754205 (E_RNA) where: Base-Base interactions energy: -799.391 where: short stacking energy: -313.576 Base-Backbone interact. energy: -1.330 local terms energy: -323.033186 where: bonds (distance) C4'-P energy: -57.754 bonds (distance) P-C4' energy: -61.950 flat angles C4'-P-C4' energy: -69.869 flat angles P-C4'-P energy: -50.592 tors. eta vs tors. theta energy: -82.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1099.810871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.810871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.810871 (E_RNA) where: Base-Base interactions energy: -762.008 where: short stacking energy: -313.414 Base-Backbone interact. energy: -1.310 local terms energy: -336.492547 where: bonds (distance) C4'-P energy: -61.681 bonds (distance) P-C4' energy: -61.728 flat angles C4'-P-C4' energy: -71.611 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -95.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1117.154872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.154872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.154872 (E_RNA) where: Base-Base interactions energy: -784.866 where: short stacking energy: -307.798 Base-Backbone interact. energy: -1.594 local terms energy: -330.694913 where: bonds (distance) C4'-P energy: -71.755 bonds (distance) P-C4' energy: -64.905 flat angles C4'-P-C4' energy: -62.548 flat angles P-C4'-P energy: -49.794 tors. eta vs tors. theta energy: -81.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -993.372154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.372154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.372154 (E_RNA) where: Base-Base interactions energy: -663.908 where: short stacking energy: -312.607 Base-Backbone interact. energy: -0.770 local terms energy: -328.694095 where: bonds (distance) C4'-P energy: -63.708 bonds (distance) P-C4' energy: -66.620 flat angles C4'-P-C4' energy: -65.025 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: -95.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -884.228706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.228706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.228706 (E_RNA) where: Base-Base interactions energy: -578.643 where: short stacking energy: -234.509 Base-Backbone interact. energy: 0.344 local terms energy: -305.929220 where: bonds (distance) C4'-P energy: -69.546 bonds (distance) P-C4' energy: -66.559 flat angles C4'-P-C4' energy: -63.148 flat angles P-C4'-P energy: -35.684 tors. eta vs tors. theta energy: -70.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -820.410273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.410273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.410273 (E_RNA) where: Base-Base interactions energy: -533.002 where: short stacking energy: -241.907 Base-Backbone interact. energy: -1.335 local terms energy: -286.073191 where: bonds (distance) C4'-P energy: -67.959 bonds (distance) P-C4' energy: -50.691 flat angles C4'-P-C4' energy: -62.597 flat angles P-C4'-P energy: -38.088 tors. eta vs tors. theta energy: -66.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -737.133391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.133391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.133391 (E_RNA) where: Base-Base interactions energy: -472.437 where: short stacking energy: -214.410 Base-Backbone interact. energy: -0.545 local terms energy: -264.152047 where: bonds (distance) C4'-P energy: -46.878 bonds (distance) P-C4' energy: -57.185 flat angles C4'-P-C4' energy: -64.123 flat angles P-C4'-P energy: -43.546 tors. eta vs tors. theta energy: -52.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -547.090758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.090758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.090758 (E_RNA) where: Base-Base interactions energy: -315.002 where: short stacking energy: -155.811 Base-Backbone interact. energy: 1.936 local terms energy: -234.024786 where: bonds (distance) C4'-P energy: -46.709 bonds (distance) P-C4' energy: -59.339 flat angles C4'-P-C4' energy: -52.805 flat angles P-C4'-P energy: -36.487 tors. eta vs tors. theta energy: -38.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -460.271058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.271058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.271058 (E_RNA) where: Base-Base interactions energy: -253.214 where: short stacking energy: -138.731 Base-Backbone interact. energy: 0.621 local terms energy: -207.678287 where: bonds (distance) C4'-P energy: -57.775 bonds (distance) P-C4' energy: -49.017 flat angles C4'-P-C4' energy: -53.228 flat angles P-C4'-P energy: -28.472 tors. eta vs tors. theta energy: -19.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -282.227390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.227390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.227390 (E_RNA) where: Base-Base interactions energy: -96.994 where: short stacking energy: -78.051 Base-Backbone interact. energy: 1.135 local terms energy: -186.368359 where: bonds (distance) C4'-P energy: -46.177 bonds (distance) P-C4' energy: -61.793 flat angles C4'-P-C4' energy: -46.587 flat angles P-C4'-P energy: -26.600 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1113.083408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.083408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.083408 (E_RNA) where: Base-Base interactions energy: -781.488 where: short stacking energy: -316.414 Base-Backbone interact. energy: -0.937 local terms energy: -330.658148 where: bonds (distance) C4'-P energy: -61.587 bonds (distance) P-C4' energy: -59.983 flat angles C4'-P-C4' energy: -71.252 flat angles P-C4'-P energy: -46.372 tors. eta vs tors. theta energy: -91.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1094.642339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.642339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.642339 (E_RNA) where: Base-Base interactions energy: -780.901 where: short stacking energy: -313.390 Base-Backbone interact. energy: -0.327 local terms energy: -313.414075 where: bonds (distance) C4'-P energy: -55.028 bonds (distance) P-C4' energy: -56.242 flat angles C4'-P-C4' energy: -71.600 flat angles P-C4'-P energy: -39.166 tors. eta vs tors. theta energy: -91.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1062.316857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.316857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.316857 (E_RNA) where: Base-Base interactions energy: -739.427 where: short stacking energy: -312.054 Base-Backbone interact. energy: 0.446 local terms energy: -323.336139 where: bonds (distance) C4'-P energy: -66.467 bonds (distance) P-C4' energy: -54.651 flat angles C4'-P-C4' energy: -69.705 flat angles P-C4'-P energy: -38.328 tors. eta vs tors. theta energy: -94.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -977.584849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.584849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.584849 (E_RNA) where: Base-Base interactions energy: -660.300 where: short stacking energy: -312.519 Base-Backbone interact. energy: 0.347 local terms energy: -317.631916 where: bonds (distance) C4'-P energy: -59.208 bonds (distance) P-C4' energy: -64.642 flat angles C4'-P-C4' energy: -63.831 flat angles P-C4'-P energy: -41.398 tors. eta vs tors. theta energy: -88.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -902.762033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.762033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.762033 (E_RNA) where: Base-Base interactions energy: -611.217 where: short stacking energy: -247.328 Base-Backbone interact. energy: -1.266 local terms energy: -290.279161 where: bonds (distance) C4'-P energy: -52.237 bonds (distance) P-C4' energy: -77.953 flat angles C4'-P-C4' energy: -58.832 flat angles P-C4'-P energy: -35.829 tors. eta vs tors. theta energy: -65.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -786.588595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.588595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.588595 (E_RNA) where: Base-Base interactions energy: -513.655 where: short stacking energy: -248.994 Base-Backbone interact. energy: -1.362 local terms energy: -271.572505 where: bonds (distance) C4'-P energy: -64.175 bonds (distance) P-C4' energy: -50.092 flat angles C4'-P-C4' energy: -65.033 flat angles P-C4'-P energy: -33.187 tors. eta vs tors. theta energy: -59.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -757.189966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.189966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.189966 (E_RNA) where: Base-Base interactions energy: -502.392 where: short stacking energy: -231.222 Base-Backbone interact. energy: -0.895 local terms energy: -253.903754 where: bonds (distance) C4'-P energy: -54.779 bonds (distance) P-C4' energy: -51.351 flat angles C4'-P-C4' energy: -61.115 flat angles P-C4'-P energy: -38.920 tors. eta vs tors. theta energy: -47.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -456.807088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.807088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.807088 (E_RNA) where: Base-Base interactions energy: -254.821 where: short stacking energy: -144.388 Base-Backbone interact. energy: 0.489 local terms energy: -202.475631 where: bonds (distance) C4'-P energy: -58.416 bonds (distance) P-C4' energy: -46.916 flat angles C4'-P-C4' energy: -41.966 flat angles P-C4'-P energy: -29.001 tors. eta vs tors. theta energy: -26.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -474.646750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.646750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.646750 (E_RNA) where: Base-Base interactions energy: -267.119 where: short stacking energy: -128.569 Base-Backbone interact. energy: -1.713 local terms energy: -205.814626 where: bonds (distance) C4'-P energy: -44.700 bonds (distance) P-C4' energy: -52.766 flat angles C4'-P-C4' energy: -58.234 flat angles P-C4'-P energy: -32.243 tors. eta vs tors. theta energy: -17.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -273.946724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.946724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.946724 (E_RNA) where: Base-Base interactions energy: -113.168 where: short stacking energy: -77.302 Base-Backbone interact. energy: -0.631 local terms energy: -160.148164 where: bonds (distance) C4'-P energy: -53.009 bonds (distance) P-C4' energy: -51.151 flat angles C4'-P-C4' energy: -46.102 flat angles P-C4'-P energy: -17.484 tors. eta vs tors. theta energy: 7.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1101.508460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.508460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.508460 (E_RNA) where: Base-Base interactions energy: -774.907 where: short stacking energy: -320.327 Base-Backbone interact. energy: 0.182 local terms energy: -326.783366 where: bonds (distance) C4'-P energy: -66.583 bonds (distance) P-C4' energy: -56.660 flat angles C4'-P-C4' energy: -69.830 flat angles P-C4'-P energy: -44.445 tors. eta vs tors. theta energy: -89.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1106.209679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.209679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.209679 (E_RNA) where: Base-Base interactions energy: -784.523 where: short stacking energy: -307.823 Base-Backbone interact. energy: -0.735 local terms energy: -320.951439 where: bonds (distance) C4'-P energy: -60.390 bonds (distance) P-C4' energy: -67.209 flat angles C4'-P-C4' energy: -67.773 flat angles P-C4'-P energy: -41.386 tors. eta vs tors. theta energy: -84.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1062.125173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.125173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.125173 (E_RNA) where: Base-Base interactions energy: -733.794 where: short stacking energy: -289.751 Base-Backbone interact. energy: 1.110 local terms energy: -329.440243 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -65.865 flat angles C4'-P-C4' energy: -67.097 flat angles P-C4'-P energy: -42.510 tors. eta vs tors. theta energy: -94.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -990.849959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.849959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.849959 (E_RNA) where: Base-Base interactions energy: -664.803 where: short stacking energy: -298.675 Base-Backbone interact. energy: -1.160 local terms energy: -324.887140 where: bonds (distance) C4'-P energy: -68.864 bonds (distance) P-C4' energy: -59.413 flat angles C4'-P-C4' energy: -67.180 flat angles P-C4'-P energy: -38.467 tors. eta vs tors. theta energy: -90.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -879.148455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.148455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.148455 (E_RNA) where: Base-Base interactions energy: -600.263 where: short stacking energy: -266.931 Base-Backbone interact. energy: -0.785 local terms energy: -278.100332 where: bonds (distance) C4'-P energy: -55.645 bonds (distance) P-C4' energy: -47.445 flat angles C4'-P-C4' energy: -63.158 flat angles P-C4'-P energy: -34.391 tors. eta vs tors. theta energy: -77.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -781.912679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.912679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.912679 (E_RNA) where: Base-Base interactions energy: -490.316 where: short stacking energy: -219.992 Base-Backbone interact. energy: -2.612 local terms energy: -288.984746 where: bonds (distance) C4'-P energy: -65.577 bonds (distance) P-C4' energy: -63.720 flat angles C4'-P-C4' energy: -64.463 flat angles P-C4'-P energy: -35.850 tors. eta vs tors. theta energy: -59.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -758.122381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.122381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.122381 (E_RNA) where: Base-Base interactions energy: -493.199 where: short stacking energy: -227.374 Base-Backbone interact. energy: -0.201 local terms energy: -264.722673 where: bonds (distance) C4'-P energy: -49.984 bonds (distance) P-C4' energy: -61.544 flat angles C4'-P-C4' energy: -53.898 flat angles P-C4'-P energy: -33.926 tors. eta vs tors. theta energy: -65.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -475.352230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.352230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.352230 (E_RNA) where: Base-Base interactions energy: -277.153 where: short stacking energy: -129.095 Base-Backbone interact. energy: -1.481 local terms energy: -196.718231 where: bonds (distance) C4'-P energy: -44.249 bonds (distance) P-C4' energy: -59.873 flat angles C4'-P-C4' energy: -53.060 flat angles P-C4'-P energy: -26.775 tors. eta vs tors. theta energy: -12.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -429.074099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.074099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.074099 (E_RNA) where: Base-Base interactions energy: -232.413 where: short stacking energy: -122.747 Base-Backbone interact. energy: -0.051 local terms energy: -196.610302 where: bonds (distance) C4'-P energy: -57.049 bonds (distance) P-C4' energy: -45.390 flat angles C4'-P-C4' energy: -53.053 flat angles P-C4'-P energy: -26.002 tors. eta vs tors. theta energy: -15.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -276.491400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.491400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.491400 (E_RNA) where: Base-Base interactions energy: -84.225 where: short stacking energy: -75.977 Base-Backbone interact. energy: -2.100 local terms energy: -190.166297 where: bonds (distance) C4'-P energy: -57.892 bonds (distance) P-C4' energy: -52.764 flat angles C4'-P-C4' energy: -41.043 flat angles P-C4'-P energy: -35.759 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1082.508880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.508880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.508880 (E_RNA) where: Base-Base interactions energy: -765.569 where: short stacking energy: -297.109 Base-Backbone interact. energy: 0.032 local terms energy: -316.972231 where: bonds (distance) C4'-P energy: -59.200 bonds (distance) P-C4' energy: -58.416 flat angles C4'-P-C4' energy: -66.682 flat angles P-C4'-P energy: -53.057 tors. eta vs tors. theta energy: -79.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1078.462453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.462453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.462453 (E_RNA) where: Base-Base interactions energy: -751.150 where: short stacking energy: -314.073 Base-Backbone interact. energy: -1.974 local terms energy: -325.338341 where: bonds (distance) C4'-P energy: -61.970 bonds (distance) P-C4' energy: -59.254 flat angles C4'-P-C4' energy: -65.804 flat angles P-C4'-P energy: -44.648 tors. eta vs tors. theta energy: -93.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1097.148865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.148865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.148865 (E_RNA) where: Base-Base interactions energy: -793.087 where: short stacking energy: -308.546 Base-Backbone interact. energy: 0.587 local terms energy: -304.648490 where: bonds (distance) C4'-P energy: -56.909 bonds (distance) P-C4' energy: -50.020 flat angles C4'-P-C4' energy: -74.345 flat angles P-C4'-P energy: -42.926 tors. eta vs tors. theta energy: -80.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1007.890917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.890917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.890917 (E_RNA) where: Base-Base interactions energy: -686.015 where: short stacking energy: -324.988 Base-Backbone interact. energy: -0.530 local terms energy: -321.345503 where: bonds (distance) C4'-P energy: -63.685 bonds (distance) P-C4' energy: -61.392 flat angles C4'-P-C4' energy: -69.565 flat angles P-C4'-P energy: -42.281 tors. eta vs tors. theta energy: -84.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -896.991891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.991891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.991891 (E_RNA) where: Base-Base interactions energy: -611.186 where: short stacking energy: -257.233 Base-Backbone interact. energy: -2.410 local terms energy: -283.396252 where: bonds (distance) C4'-P energy: -48.474 bonds (distance) P-C4' energy: -55.171 flat angles C4'-P-C4' energy: -64.985 flat angles P-C4'-P energy: -38.801 tors. eta vs tors. theta energy: -75.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -832.647196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.647196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.647196 (E_RNA) where: Base-Base interactions energy: -544.339 where: short stacking energy: -243.086 Base-Backbone interact. energy: -0.776 local terms energy: -287.531527 where: bonds (distance) C4'-P energy: -54.229 bonds (distance) P-C4' energy: -46.815 flat angles C4'-P-C4' energy: -69.293 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -71.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -775.101103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.101103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.101103 (E_RNA) where: Base-Base interactions energy: -511.484 where: short stacking energy: -232.529 Base-Backbone interact. energy: -0.463 local terms energy: -263.153929 where: bonds (distance) C4'-P energy: -51.420 bonds (distance) P-C4' energy: -58.901 flat angles C4'-P-C4' energy: -57.542 flat angles P-C4'-P energy: -32.526 tors. eta vs tors. theta energy: -62.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -527.551527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.551527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.551527 (E_RNA) where: Base-Base interactions energy: -313.462 where: short stacking energy: -164.348 Base-Backbone interact. energy: 3.419 local terms energy: -217.508582 where: bonds (distance) C4'-P energy: -49.958 bonds (distance) P-C4' energy: -51.028 flat angles C4'-P-C4' energy: -51.232 flat angles P-C4'-P energy: -31.609 tors. eta vs tors. theta energy: -33.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -400.087167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.087167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.087167 (E_RNA) where: Base-Base interactions energy: -214.252 where: short stacking energy: -131.612 Base-Backbone interact. energy: -1.868 local terms energy: -183.966845 where: bonds (distance) C4'-P energy: -56.653 bonds (distance) P-C4' energy: -58.916 flat angles C4'-P-C4' energy: -37.403 flat angles P-C4'-P energy: -28.006 tors. eta vs tors. theta energy: -2.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -292.906948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.906948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.906948 (E_RNA) where: Base-Base interactions energy: -107.102 where: short stacking energy: -84.929 Base-Backbone interact. energy: -0.753 local terms energy: -185.051666 where: bonds (distance) C4'-P energy: -57.641 bonds (distance) P-C4' energy: -54.432 flat angles C4'-P-C4' energy: -43.532 flat angles P-C4'-P energy: -22.662 tors. eta vs tors. theta energy: -6.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1094.709324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.709324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.709324 (E_RNA) where: Base-Base interactions energy: -767.182 where: short stacking energy: -319.974 Base-Backbone interact. energy: 0.330 local terms energy: -327.857876 where: bonds (distance) C4'-P energy: -61.060 bonds (distance) P-C4' energy: -70.472 flat angles C4'-P-C4' energy: -69.003 flat angles P-C4'-P energy: -49.193 tors. eta vs tors. theta energy: -78.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1054.477254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.477254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.477254 (E_RNA) where: Base-Base interactions energy: -713.096 where: short stacking energy: -306.208 Base-Backbone interact. energy: -1.825 local terms energy: -339.556449 where: bonds (distance) C4'-P energy: -64.446 bonds (distance) P-C4' energy: -67.562 flat angles C4'-P-C4' energy: -73.398 flat angles P-C4'-P energy: -47.483 tors. eta vs tors. theta energy: -86.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1085.283202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.283202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.283202 (E_RNA) where: Base-Base interactions energy: -756.222 where: short stacking energy: -302.410 Base-Backbone interact. energy: -1.780 local terms energy: -327.281160 where: bonds (distance) C4'-P energy: -63.570 bonds (distance) P-C4' energy: -59.929 flat angles C4'-P-C4' energy: -74.992 flat angles P-C4'-P energy: -46.117 tors. eta vs tors. theta energy: -82.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1000.173656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.173656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.173656 (E_RNA) where: Base-Base interactions energy: -656.240 where: short stacking energy: -309.458 Base-Backbone interact. energy: -0.003 local terms energy: -343.931043 where: bonds (distance) C4'-P energy: -60.574 bonds (distance) P-C4' energy: -65.091 flat angles C4'-P-C4' energy: -73.613 flat angles P-C4'-P energy: -47.907 tors. eta vs tors. theta energy: -96.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -888.498563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.498563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.498563 (E_RNA) where: Base-Base interactions energy: -586.065 where: short stacking energy: -248.071 Base-Backbone interact. energy: -3.477 local terms energy: -298.956794 where: bonds (distance) C4'-P energy: -63.164 bonds (distance) P-C4' energy: -59.478 flat angles C4'-P-C4' energy: -60.192 flat angles P-C4'-P energy: -50.417 tors. eta vs tors. theta energy: -65.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -818.048785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.048785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.048785 (E_RNA) where: Base-Base interactions energy: -525.552 where: short stacking energy: -241.081 Base-Backbone interact. energy: -2.168 local terms energy: -290.329210 where: bonds (distance) C4'-P energy: -52.847 bonds (distance) P-C4' energy: -56.984 flat angles C4'-P-C4' energy: -67.899 flat angles P-C4'-P energy: -40.692 tors. eta vs tors. theta energy: -71.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -778.699902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.699902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.699902 (E_RNA) where: Base-Base interactions energy: -514.046 where: short stacking energy: -224.799 Base-Backbone interact. energy: -0.561 local terms energy: -264.093713 where: bonds (distance) C4'-P energy: -52.009 bonds (distance) P-C4' energy: -50.665 flat angles C4'-P-C4' energy: -57.323 flat angles P-C4'-P energy: -35.599 tors. eta vs tors. theta energy: -68.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -515.659356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.659356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.659356 (E_RNA) where: Base-Base interactions energy: -302.913 where: short stacking energy: -147.596 Base-Backbone interact. energy: -1.066 local terms energy: -211.680572 where: bonds (distance) C4'-P energy: -47.165 bonds (distance) P-C4' energy: -55.232 flat angles C4'-P-C4' energy: -55.613 flat angles P-C4'-P energy: -31.372 tors. eta vs tors. theta energy: -22.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -485.702658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.702658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.702658 (E_RNA) where: Base-Base interactions energy: -264.890 where: short stacking energy: -131.854 Base-Backbone interact. energy: 1.786 local terms energy: -222.598454 where: bonds (distance) C4'-P energy: -56.758 bonds (distance) P-C4' energy: -58.136 flat angles C4'-P-C4' energy: -53.332 flat angles P-C4'-P energy: -33.759 tors. eta vs tors. theta energy: -20.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -276.632014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.632014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.632014 (E_RNA) where: Base-Base interactions energy: -85.163 where: short stacking energy: -83.117 Base-Backbone interact. energy: -0.243 local terms energy: -191.225659 where: bonds (distance) C4'-P energy: -66.874 bonds (distance) P-C4' energy: -52.573 flat angles C4'-P-C4' energy: -33.430 flat angles P-C4'-P energy: -34.755 tors. eta vs tors. theta energy: -3.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1107.263242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.263242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.263242 (E_RNA) where: Base-Base interactions energy: -784.019 where: short stacking energy: -311.510 Base-Backbone interact. energy: -1.495 local terms energy: -321.749435 where: bonds (distance) C4'-P energy: -64.481 bonds (distance) P-C4' energy: -57.475 flat angles C4'-P-C4' energy: -60.954 flat angles P-C4'-P energy: -55.959 tors. eta vs tors. theta energy: -82.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1092.771371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.771371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.771371 (E_RNA) where: Base-Base interactions energy: -766.769 where: short stacking energy: -307.316 Base-Backbone interact. energy: -0.659 local terms energy: -325.342689 where: bonds (distance) C4'-P energy: -62.877 bonds (distance) P-C4' energy: -66.000 flat angles C4'-P-C4' energy: -73.840 flat angles P-C4'-P energy: -36.666 tors. eta vs tors. theta energy: -85.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1045.085373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.085373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.085373 (E_RNA) where: Base-Base interactions energy: -724.312 where: short stacking energy: -302.702 Base-Backbone interact. energy: -2.405 local terms energy: -318.368244 where: bonds (distance) C4'-P energy: -53.021 bonds (distance) P-C4' energy: -54.673 flat angles C4'-P-C4' energy: -71.398 flat angles P-C4'-P energy: -46.446 tors. eta vs tors. theta energy: -92.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1005.318922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.318922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.318922 (E_RNA) where: Base-Base interactions energy: -674.270 where: short stacking energy: -292.622 Base-Backbone interact. energy: -0.844 local terms energy: -330.204468 where: bonds (distance) C4'-P energy: -64.821 bonds (distance) P-C4' energy: -64.855 flat angles C4'-P-C4' energy: -62.184 flat angles P-C4'-P energy: -43.595 tors. eta vs tors. theta energy: -94.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -880.760541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.760541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.760541 (E_RNA) where: Base-Base interactions energy: -596.652 where: short stacking energy: -246.418 Base-Backbone interact. energy: -1.033 local terms energy: -283.075841 where: bonds (distance) C4'-P energy: -57.046 bonds (distance) P-C4' energy: -54.437 flat angles C4'-P-C4' energy: -61.234 flat angles P-C4'-P energy: -40.001 tors. eta vs tors. theta energy: -70.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -802.399981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.399981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.399981 (E_RNA) where: Base-Base interactions energy: -515.359 where: short stacking energy: -240.661 Base-Backbone interact. energy: 1.465 local terms energy: -288.506623 where: bonds (distance) C4'-P energy: -48.577 bonds (distance) P-C4' energy: -60.287 flat angles C4'-P-C4' energy: -69.388 flat angles P-C4'-P energy: -44.477 tors. eta vs tors. theta energy: -65.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -759.962028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.962028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.962028 (E_RNA) where: Base-Base interactions energy: -502.278 where: short stacking energy: -250.682 Base-Backbone interact. energy: 3.082 local terms energy: -260.765463 where: bonds (distance) C4'-P energy: -51.515 bonds (distance) P-C4' energy: -57.931 flat angles C4'-P-C4' energy: -67.027 flat angles P-C4'-P energy: -29.139 tors. eta vs tors. theta energy: -55.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -554.980405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.980405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.980405 (E_RNA) where: Base-Base interactions energy: -310.714 where: short stacking energy: -172.692 Base-Backbone interact. energy: -0.483 local terms energy: -243.783507 where: bonds (distance) C4'-P energy: -53.201 bonds (distance) P-C4' energy: -54.979 flat angles C4'-P-C4' energy: -63.731 flat angles P-C4'-P energy: -33.025 tors. eta vs tors. theta energy: -38.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -471.393696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.393696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.393696 (E_RNA) where: Base-Base interactions energy: -243.826 where: short stacking energy: -129.137 Base-Backbone interact. energy: -0.519 local terms energy: -227.048678 where: bonds (distance) C4'-P energy: -54.716 bonds (distance) P-C4' energy: -68.155 flat angles C4'-P-C4' energy: -53.314 flat angles P-C4'-P energy: -29.658 tors. eta vs tors. theta energy: -21.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -296.955986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.955986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.955986 (E_RNA) where: Base-Base interactions energy: -127.106 where: short stacking energy: -102.871 Base-Backbone interact. energy: -1.257 local terms energy: -168.592611 where: bonds (distance) C4'-P energy: -44.075 bonds (distance) P-C4' energy: -53.833 flat angles C4'-P-C4' energy: -49.326 flat angles P-C4'-P energy: -21.074 tors. eta vs tors. theta energy: -0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1118.383711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.383711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.383711 (E_RNA) where: Base-Base interactions energy: -765.647 where: short stacking energy: -330.732 Base-Backbone interact. energy: -1.580 local terms energy: -351.156440 where: bonds (distance) C4'-P energy: -58.364 bonds (distance) P-C4' energy: -67.564 flat angles C4'-P-C4' energy: -79.251 flat angles P-C4'-P energy: -55.911 tors. eta vs tors. theta energy: -90.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1073.269330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.269330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.269330 (E_RNA) where: Base-Base interactions energy: -751.942 where: short stacking energy: -293.380 Base-Backbone interact. energy: -2.305 local terms energy: -319.022070 where: bonds (distance) C4'-P energy: -66.188 bonds (distance) P-C4' energy: -63.300 flat angles C4'-P-C4' energy: -64.143 flat angles P-C4'-P energy: -48.602 tors. eta vs tors. theta energy: -76.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1059.043003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.043003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.043003 (E_RNA) where: Base-Base interactions energy: -725.482 where: short stacking energy: -290.080 Base-Backbone interact. energy: 4.114 local terms energy: -337.674942 where: bonds (distance) C4'-P energy: -62.266 bonds (distance) P-C4' energy: -69.171 flat angles C4'-P-C4' energy: -70.191 flat angles P-C4'-P energy: -52.672 tors. eta vs tors. theta energy: -83.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -993.279393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.279393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.279393 (E_RNA) where: Base-Base interactions energy: -684.394 where: short stacking energy: -283.979 Base-Backbone interact. energy: -0.561 local terms energy: -308.324268 where: bonds (distance) C4'-P energy: -48.726 bonds (distance) P-C4' energy: -45.416 flat angles C4'-P-C4' energy: -76.895 flat angles P-C4'-P energy: -42.069 tors. eta vs tors. theta energy: -95.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -912.844597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.844597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.844597 (E_RNA) where: Base-Base interactions energy: -618.242 where: short stacking energy: -250.387 Base-Backbone interact. energy: -0.842 local terms energy: -293.760212 where: bonds (distance) C4'-P energy: -53.965 bonds (distance) P-C4' energy: -61.938 flat angles C4'-P-C4' energy: -61.284 flat angles P-C4'-P energy: -40.016 tors. eta vs tors. theta energy: -76.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -808.733461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.733461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.733461 (E_RNA) where: Base-Base interactions energy: -533.846 where: short stacking energy: -249.032 Base-Backbone interact. energy: -2.931 local terms energy: -271.957095 where: bonds (distance) C4'-P energy: -57.125 bonds (distance) P-C4' energy: -61.768 flat angles C4'-P-C4' energy: -61.860 flat angles P-C4'-P energy: -32.451 tors. eta vs tors. theta energy: -58.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -767.744700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.744700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.744700 (E_RNA) where: Base-Base interactions energy: -502.806 where: short stacking energy: -225.088 Base-Backbone interact. energy: -1.346 local terms energy: -263.592535 where: bonds (distance) C4'-P energy: -53.037 bonds (distance) P-C4' energy: -52.927 flat angles C4'-P-C4' energy: -63.744 flat angles P-C4'-P energy: -40.901 tors. eta vs tors. theta energy: -52.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -584.332254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.332254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.332254 (E_RNA) where: Base-Base interactions energy: -354.238 where: short stacking energy: -178.326 Base-Backbone interact. energy: -0.803 local terms energy: -229.291814 where: bonds (distance) C4'-P energy: -47.967 bonds (distance) P-C4' energy: -45.883 flat angles C4'-P-C4' energy: -54.297 flat angles P-C4'-P energy: -47.751 tors. eta vs tors. theta energy: -33.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -490.138900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.138900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.138900 (E_RNA) where: Base-Base interactions energy: -301.566 where: short stacking energy: -159.591 Base-Backbone interact. energy: -0.968 local terms energy: -187.604946 where: bonds (distance) C4'-P energy: -40.587 bonds (distance) P-C4' energy: -54.028 flat angles C4'-P-C4' energy: -47.352 flat angles P-C4'-P energy: -29.108 tors. eta vs tors. theta energy: -16.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -261.167503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.167503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.167503 (E_RNA) where: Base-Base interactions energy: -110.937 where: short stacking energy: -69.385 Base-Backbone interact. energy: -0.870 local terms energy: -149.360009 where: bonds (distance) C4'-P energy: -51.297 bonds (distance) P-C4' energy: -58.678 flat angles C4'-P-C4' energy: -43.222 flat angles P-C4'-P energy: -15.878 tors. eta vs tors. theta energy: 19.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1134.548995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.548995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.548995 (E_RNA) where: Base-Base interactions energy: -793.294 where: short stacking energy: -328.113 Base-Backbone interact. energy: 2.776 local terms energy: -344.031169 where: bonds (distance) C4'-P energy: -62.711 bonds (distance) P-C4' energy: -66.880 flat angles C4'-P-C4' energy: -72.534 flat angles P-C4'-P energy: -44.280 tors. eta vs tors. theta energy: -97.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1070.337198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.337198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.337198 (E_RNA) where: Base-Base interactions energy: -747.532 where: short stacking energy: -313.027 Base-Backbone interact. energy: -0.800 local terms energy: -322.005391 where: bonds (distance) C4'-P energy: -62.163 bonds (distance) P-C4' energy: -66.075 flat angles C4'-P-C4' energy: -65.011 flat angles P-C4'-P energy: -45.968 tors. eta vs tors. theta energy: -82.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1062.948087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.948087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.948087 (E_RNA) where: Base-Base interactions energy: -737.173 where: short stacking energy: -303.675 Base-Backbone interact. energy: 2.558 local terms energy: -328.332737 where: bonds (distance) C4'-P energy: -60.295 bonds (distance) P-C4' energy: -63.211 flat angles C4'-P-C4' energy: -66.816 flat angles P-C4'-P energy: -43.249 tors. eta vs tors. theta energy: -94.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -965.844068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.844068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.844068 (E_RNA) where: Base-Base interactions energy: -653.589 where: short stacking energy: -281.949 Base-Backbone interact. energy: -1.123 local terms energy: -311.132053 where: bonds (distance) C4'-P energy: -64.334 bonds (distance) P-C4' energy: -57.888 flat angles C4'-P-C4' energy: -57.520 flat angles P-C4'-P energy: -39.561 tors. eta vs tors. theta energy: -91.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -886.518648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.518648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.518648 (E_RNA) where: Base-Base interactions energy: -596.024 where: short stacking energy: -250.786 Base-Backbone interact. energy: -2.203 local terms energy: -288.291320 where: bonds (distance) C4'-P energy: -62.620 bonds (distance) P-C4' energy: -61.548 flat angles C4'-P-C4' energy: -55.558 flat angles P-C4'-P energy: -39.463 tors. eta vs tors. theta energy: -69.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -804.404473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.404473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.404473 (E_RNA) where: Base-Base interactions energy: -516.232 where: short stacking energy: -234.316 Base-Backbone interact. energy: -0.497 local terms energy: -287.674869 where: bonds (distance) C4'-P energy: -54.244 bonds (distance) P-C4' energy: -60.089 flat angles C4'-P-C4' energy: -64.575 flat angles P-C4'-P energy: -44.763 tors. eta vs tors. theta energy: -64.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -781.993711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.993711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.993711 (E_RNA) where: Base-Base interactions energy: -511.898 where: short stacking energy: -235.794 Base-Backbone interact. energy: -1.253 local terms energy: -268.843215 where: bonds (distance) C4'-P energy: -56.825 bonds (distance) P-C4' energy: -53.576 flat angles C4'-P-C4' energy: -62.802 flat angles P-C4'-P energy: -27.110 tors. eta vs tors. theta energy: -68.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -580.543804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.543804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.543804 (E_RNA) where: Base-Base interactions energy: -361.456 where: short stacking energy: -183.390 Base-Backbone interact. energy: -0.539 local terms energy: -218.548336 where: bonds (distance) C4'-P energy: -49.951 bonds (distance) P-C4' energy: -46.621 flat angles C4'-P-C4' energy: -57.974 flat angles P-C4'-P energy: -28.591 tors. eta vs tors. theta energy: -35.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -528.886432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.886432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.886432 (E_RNA) where: Base-Base interactions energy: -319.115 where: short stacking energy: -165.814 Base-Backbone interact. energy: -0.894 local terms energy: -208.877497 where: bonds (distance) C4'-P energy: -58.011 bonds (distance) P-C4' energy: -44.018 flat angles C4'-P-C4' energy: -50.098 flat angles P-C4'-P energy: -20.816 tors. eta vs tors. theta energy: -35.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -257.381656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.381656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.381656 (E_RNA) where: Base-Base interactions energy: -69.792 where: short stacking energy: -64.400 Base-Backbone interact. energy: -1.656 local terms energy: -185.933590 where: bonds (distance) C4'-P energy: -59.431 bonds (distance) P-C4' energy: -54.384 flat angles C4'-P-C4' energy: -51.590 flat angles P-C4'-P energy: -28.389 tors. eta vs tors. theta energy: 7.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1117.868443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.868443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.868443 (E_RNA) where: Base-Base interactions energy: -761.838 where: short stacking energy: -319.042 Base-Backbone interact. energy: -1.150 local terms energy: -354.880336 where: bonds (distance) C4'-P energy: -74.680 bonds (distance) P-C4' energy: -69.759 flat angles C4'-P-C4' energy: -78.719 flat angles P-C4'-P energy: -42.040 tors. eta vs tors. theta energy: -89.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1096.518055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.518055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.518055 (E_RNA) where: Base-Base interactions energy: -771.311 where: short stacking energy: -316.211 Base-Backbone interact. energy: -0.285 local terms energy: -324.921713 where: bonds (distance) C4'-P energy: -58.092 bonds (distance) P-C4' energy: -63.266 flat angles C4'-P-C4' energy: -66.135 flat angles P-C4'-P energy: -49.600 tors. eta vs tors. theta energy: -87.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1043.171001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.171001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.171001 (E_RNA) where: Base-Base interactions energy: -722.083 where: short stacking energy: -292.347 Base-Backbone interact. energy: -1.168 local terms energy: -319.919849 where: bonds (distance) C4'-P energy: -58.694 bonds (distance) P-C4' energy: -62.363 flat angles C4'-P-C4' energy: -68.711 flat angles P-C4'-P energy: -44.170 tors. eta vs tors. theta energy: -85.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -964.789159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.789159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.789159 (E_RNA) where: Base-Base interactions energy: -639.593 where: short stacking energy: -299.072 Base-Backbone interact. energy: -0.907 local terms energy: -324.288980 where: bonds (distance) C4'-P energy: -58.831 bonds (distance) P-C4' energy: -60.733 flat angles C4'-P-C4' energy: -67.655 flat angles P-C4'-P energy: -47.530 tors. eta vs tors. theta energy: -89.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -869.631375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.631375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.631375 (E_RNA) where: Base-Base interactions energy: -571.396 where: short stacking energy: -240.205 Base-Backbone interact. energy: -2.512 local terms energy: -295.724104 where: bonds (distance) C4'-P energy: -52.356 bonds (distance) P-C4' energy: -68.816 flat angles C4'-P-C4' energy: -68.406 flat angles P-C4'-P energy: -43.569 tors. eta vs tors. theta energy: -62.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -776.440763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.440763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.440763 (E_RNA) where: Base-Base interactions energy: -507.825 where: short stacking energy: -262.307 Base-Backbone interact. energy: -0.248 local terms energy: -268.367875 where: bonds (distance) C4'-P energy: -57.476 bonds (distance) P-C4' energy: -52.572 flat angles C4'-P-C4' energy: -60.129 flat angles P-C4'-P energy: -31.173 tors. eta vs tors. theta energy: -67.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -783.603571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.603571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.603571 (E_RNA) where: Base-Base interactions energy: -511.068 where: short stacking energy: -224.457 Base-Backbone interact. energy: 0.655 local terms energy: -273.191088 where: bonds (distance) C4'-P energy: -58.493 bonds (distance) P-C4' energy: -52.070 flat angles C4'-P-C4' energy: -56.618 flat angles P-C4'-P energy: -45.346 tors. eta vs tors. theta energy: -60.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -584.135118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.135118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.135118 (E_RNA) where: Base-Base interactions energy: -339.306 where: short stacking energy: -161.365 Base-Backbone interact. energy: -0.554 local terms energy: -244.274406 where: bonds (distance) C4'-P energy: -60.421 bonds (distance) P-C4' energy: -54.204 flat angles C4'-P-C4' energy: -63.312 flat angles P-C4'-P energy: -31.472 tors. eta vs tors. theta energy: -34.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -530.158987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.158987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.158987 (E_RNA) where: Base-Base interactions energy: -300.491 where: short stacking energy: -153.557 Base-Backbone interact. energy: -0.511 local terms energy: -229.156961 where: bonds (distance) C4'-P energy: -51.716 bonds (distance) P-C4' energy: -65.441 flat angles C4'-P-C4' energy: -44.248 flat angles P-C4'-P energy: -36.961 tors. eta vs tors. theta energy: -30.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -292.225007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.225007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.225007 (E_RNA) where: Base-Base interactions energy: -119.838 where: short stacking energy: -90.520 Base-Backbone interact. energy: -0.256 local terms energy: -172.131314 where: bonds (distance) C4'-P energy: -51.562 bonds (distance) P-C4' energy: -56.591 flat angles C4'-P-C4' energy: -41.475 flat angles P-C4'-P energy: -27.546 tors. eta vs tors. theta energy: 5.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1130.652700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.652700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.652700 (E_RNA) where: Base-Base interactions energy: -792.841 where: short stacking energy: -334.839 Base-Backbone interact. energy: 0.060 local terms energy: -337.871634 where: bonds (distance) C4'-P energy: -59.144 bonds (distance) P-C4' energy: -62.960 flat angles C4'-P-C4' energy: -74.819 flat angles P-C4'-P energy: -49.069 tors. eta vs tors. theta energy: -91.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1093.207910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.207910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.207910 (E_RNA) where: Base-Base interactions energy: -754.671 where: short stacking energy: -307.518 Base-Backbone interact. energy: -0.092 local terms energy: -338.444904 where: bonds (distance) C4'-P energy: -62.820 bonds (distance) P-C4' energy: -69.205 flat angles C4'-P-C4' energy: -71.994 flat angles P-C4'-P energy: -44.385 tors. eta vs tors. theta energy: -90.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1035.349977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.349977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.349977 (E_RNA) where: Base-Base interactions energy: -721.956 where: short stacking energy: -288.851 Base-Backbone interact. energy: 0.219 local terms energy: -313.612291 where: bonds (distance) C4'-P energy: -56.302 bonds (distance) P-C4' energy: -56.780 flat angles C4'-P-C4' energy: -70.130 flat angles P-C4'-P energy: -46.447 tors. eta vs tors. theta energy: -83.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -953.732728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.732728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.732728 (E_RNA) where: Base-Base interactions energy: -630.470 where: short stacking energy: -274.692 Base-Backbone interact. energy: -1.359 local terms energy: -321.903881 where: bonds (distance) C4'-P energy: -55.170 bonds (distance) P-C4' energy: -68.940 flat angles C4'-P-C4' energy: -71.241 flat angles P-C4'-P energy: -44.674 tors. eta vs tors. theta energy: -81.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -902.193803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.193803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.193803 (E_RNA) where: Base-Base interactions energy: -606.555 where: short stacking energy: -254.011 Base-Backbone interact. energy: -3.551 local terms energy: -292.087456 where: bonds (distance) C4'-P energy: -44.637 bonds (distance) P-C4' energy: -62.173 flat angles C4'-P-C4' energy: -73.049 flat angles P-C4'-P energy: -38.663 tors. eta vs tors. theta energy: -73.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -794.105534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.105534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.105534 (E_RNA) where: Base-Base interactions energy: -504.844 where: short stacking energy: -242.666 Base-Backbone interact. energy: -1.311 local terms energy: -287.950994 where: bonds (distance) C4'-P energy: -47.435 bonds (distance) P-C4' energy: -57.496 flat angles C4'-P-C4' energy: -69.820 flat angles P-C4'-P energy: -41.391 tors. eta vs tors. theta energy: -71.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -779.934722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.934722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.934722 (E_RNA) where: Base-Base interactions energy: -506.821 where: short stacking energy: -232.536 Base-Backbone interact. energy: -2.105 local terms energy: -271.008493 where: bonds (distance) C4'-P energy: -56.376 bonds (distance) P-C4' energy: -53.068 flat angles C4'-P-C4' energy: -62.265 flat angles P-C4'-P energy: -44.553 tors. eta vs tors. theta energy: -54.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -624.546119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.546119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.546119 (E_RNA) where: Base-Base interactions energy: -390.986 where: short stacking energy: -179.485 Base-Backbone interact. energy: -0.505 local terms energy: -233.055678 where: bonds (distance) C4'-P energy: -55.963 bonds (distance) P-C4' energy: -53.198 flat angles C4'-P-C4' energy: -57.412 flat angles P-C4'-P energy: -25.111 tors. eta vs tors. theta energy: -41.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -550.425668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.425668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.425668 (E_RNA) where: Base-Base interactions energy: -344.164 where: short stacking energy: -163.477 Base-Backbone interact. energy: 0.914 local terms energy: -207.175646 where: bonds (distance) C4'-P energy: -54.803 bonds (distance) P-C4' energy: -58.707 flat angles C4'-P-C4' energy: -56.217 flat angles P-C4'-P energy: -12.976 tors. eta vs tors. theta energy: -24.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -272.275277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.275277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.275277 (E_RNA) where: Base-Base interactions energy: -116.799 where: short stacking energy: -105.254 Base-Backbone interact. energy: 2.316 local terms energy: -157.793142 where: bonds (distance) C4'-P energy: -50.771 bonds (distance) P-C4' energy: -48.153 flat angles C4'-P-C4' energy: -34.055 flat angles P-C4'-P energy: -24.289 tors. eta vs tors. theta energy: -0.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1118.466825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.466825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.466825 (E_RNA) where: Base-Base interactions energy: -799.497 where: short stacking energy: -328.268 Base-Backbone interact. energy: -0.891 local terms energy: -318.078109 where: bonds (distance) C4'-P energy: -61.353 bonds (distance) P-C4' energy: -53.355 flat angles C4'-P-C4' energy: -68.243 flat angles P-C4'-P energy: -46.408 tors. eta vs tors. theta energy: -88.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1094.287094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.287094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.287094 (E_RNA) where: Base-Base interactions energy: -755.174 where: short stacking energy: -312.845 Base-Backbone interact. energy: -1.421 local terms energy: -337.692935 where: bonds (distance) C4'-P energy: -61.792 bonds (distance) P-C4' energy: -69.461 flat angles C4'-P-C4' energy: -69.350 flat angles P-C4'-P energy: -47.753 tors. eta vs tors. theta energy: -89.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1042.376739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.376739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.376739 (E_RNA) where: Base-Base interactions energy: -727.819 where: short stacking energy: -313.013 Base-Backbone interact. energy: 2.083 local terms energy: -316.640592 where: bonds (distance) C4'-P energy: -53.808 bonds (distance) P-C4' energy: -58.530 flat angles C4'-P-C4' energy: -68.447 flat angles P-C4'-P energy: -45.720 tors. eta vs tors. theta energy: -90.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -992.689235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.689235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.689235 (E_RNA) where: Base-Base interactions energy: -675.266 where: short stacking energy: -301.574 Base-Backbone interact. energy: -1.571 local terms energy: -315.851729 where: bonds (distance) C4'-P energy: -59.521 bonds (distance) P-C4' energy: -52.394 flat angles C4'-P-C4' energy: -70.891 flat angles P-C4'-P energy: -36.950 tors. eta vs tors. theta energy: -96.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -885.209975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.209975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.209975 (E_RNA) where: Base-Base interactions energy: -585.654 where: short stacking energy: -241.000 Base-Backbone interact. energy: 0.567 local terms energy: -300.122630 where: bonds (distance) C4'-P energy: -64.145 bonds (distance) P-C4' energy: -57.902 flat angles C4'-P-C4' energy: -63.651 flat angles P-C4'-P energy: -41.385 tors. eta vs tors. theta energy: -73.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -828.752885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.752885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.752885 (E_RNA) where: Base-Base interactions energy: -544.399 where: short stacking energy: -244.454 Base-Backbone interact. energy: -0.657 local terms energy: -283.696926 where: bonds (distance) C4'-P energy: -42.127 bonds (distance) P-C4' energy: -58.052 flat angles C4'-P-C4' energy: -66.854 flat angles P-C4'-P energy: -45.489 tors. eta vs tors. theta energy: -71.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -747.338363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.338363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.338363 (E_RNA) where: Base-Base interactions energy: -479.854 where: short stacking energy: -231.814 Base-Backbone interact. energy: -0.738 local terms energy: -266.746335 where: bonds (distance) C4'-P energy: -59.215 bonds (distance) P-C4' energy: -52.616 flat angles C4'-P-C4' energy: -63.618 flat angles P-C4'-P energy: -37.709 tors. eta vs tors. theta energy: -53.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -607.593060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.593060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.593060 (E_RNA) where: Base-Base interactions energy: -357.013 where: short stacking energy: -189.099 Base-Backbone interact. energy: -0.361 local terms energy: -250.219523 where: bonds (distance) C4'-P energy: -54.341 bonds (distance) P-C4' energy: -58.243 flat angles C4'-P-C4' energy: -49.300 flat angles P-C4'-P energy: -37.954 tors. eta vs tors. theta energy: -50.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -545.634660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.634660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.634660 (E_RNA) where: Base-Base interactions energy: -319.021 where: short stacking energy: -152.484 Base-Backbone interact. energy: -0.232 local terms energy: -226.382150 where: bonds (distance) C4'-P energy: -46.258 bonds (distance) P-C4' energy: -59.208 flat angles C4'-P-C4' energy: -58.865 flat angles P-C4'-P energy: -24.704 tors. eta vs tors. theta energy: -37.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -264.658540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.658540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.658540 (E_RNA) where: Base-Base interactions energy: -116.472 where: short stacking energy: -81.335 Base-Backbone interact. energy: -1.267 local terms energy: -146.919619 where: bonds (distance) C4'-P energy: -39.238 bonds (distance) P-C4' energy: -48.706 flat angles C4'-P-C4' energy: -40.702 flat angles P-C4'-P energy: -31.057 tors. eta vs tors. theta energy: 12.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1143.928724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.928724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.928724 (E_RNA) where: Base-Base interactions energy: -794.709 where: short stacking energy: -320.149 Base-Backbone interact. energy: -1.358 local terms energy: -347.861889 where: bonds (distance) C4'-P energy: -62.032 bonds (distance) P-C4' energy: -73.124 flat angles C4'-P-C4' energy: -73.763 flat angles P-C4'-P energy: -48.179 tors. eta vs tors. theta energy: -90.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1059.600336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.600336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.600336 (E_RNA) where: Base-Base interactions energy: -744.536 where: short stacking energy: -308.120 Base-Backbone interact. energy: -1.210 local terms energy: -313.854490 where: bonds (distance) C4'-P energy: -58.034 bonds (distance) P-C4' energy: -55.255 flat angles C4'-P-C4' energy: -69.617 flat angles P-C4'-P energy: -44.812 tors. eta vs tors. theta energy: -86.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1089.801140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.801140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.801140 (E_RNA) where: Base-Base interactions energy: -770.689 where: short stacking energy: -314.835 Base-Backbone interact. energy: -2.363 local terms energy: -316.749478 where: bonds (distance) C4'-P energy: -55.836 bonds (distance) P-C4' energy: -57.320 flat angles C4'-P-C4' energy: -66.008 flat angles P-C4'-P energy: -48.560 tors. eta vs tors. theta energy: -89.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -956.710731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.710731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.710731 (E_RNA) where: Base-Base interactions energy: -646.595 where: short stacking energy: -276.855 Base-Backbone interact. energy: -1.209 local terms energy: -308.906583 where: bonds (distance) C4'-P energy: -61.957 bonds (distance) P-C4' energy: -54.524 flat angles C4'-P-C4' energy: -63.112 flat angles P-C4'-P energy: -41.408 tors. eta vs tors. theta energy: -87.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -893.174385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.174385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.174385 (E_RNA) where: Base-Base interactions energy: -591.250 where: short stacking energy: -251.017 Base-Backbone interact. energy: -1.645 local terms energy: -300.279838 where: bonds (distance) C4'-P energy: -60.626 bonds (distance) P-C4' energy: -56.927 flat angles C4'-P-C4' energy: -64.969 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -75.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -818.350706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.350706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.350706 (E_RNA) where: Base-Base interactions energy: -521.133 where: short stacking energy: -245.024 Base-Backbone interact. energy: -0.212 local terms energy: -297.005664 where: bonds (distance) C4'-P energy: -64.731 bonds (distance) P-C4' energy: -56.173 flat angles C4'-P-C4' energy: -66.291 flat angles P-C4'-P energy: -45.164 tors. eta vs tors. theta energy: -64.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -779.051261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.051261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.051261 (E_RNA) where: Base-Base interactions energy: -508.225 where: short stacking energy: -239.471 Base-Backbone interact. energy: -2.083 local terms energy: -268.743134 where: bonds (distance) C4'-P energy: -58.580 bonds (distance) P-C4' energy: -56.879 flat angles C4'-P-C4' energy: -57.362 flat angles P-C4'-P energy: -44.371 tors. eta vs tors. theta energy: -51.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -609.396053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.396053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.396053 (E_RNA) where: Base-Base interactions energy: -378.239 where: short stacking energy: -189.507 Base-Backbone interact. energy: 0.314 local terms energy: -231.471474 where: bonds (distance) C4'-P energy: -56.011 bonds (distance) P-C4' energy: -47.078 flat angles C4'-P-C4' energy: -62.798 flat angles P-C4'-P energy: -26.925 tors. eta vs tors. theta energy: -38.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -534.888928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.888928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.888928 (E_RNA) where: Base-Base interactions energy: -320.249 where: short stacking energy: -155.142 Base-Backbone interact. energy: 1.272 local terms energy: -215.912518 where: bonds (distance) C4'-P energy: -58.138 bonds (distance) P-C4' energy: -57.048 flat angles C4'-P-C4' energy: -46.543 flat angles P-C4'-P energy: -29.077 tors. eta vs tors. theta energy: -25.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -269.613046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.613046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.613046 (E_RNA) where: Base-Base interactions energy: -109.853 where: short stacking energy: -96.310 Base-Backbone interact. energy: -0.951 local terms energy: -158.809487 where: bonds (distance) C4'-P energy: -49.751 bonds (distance) P-C4' energy: -47.862 flat angles C4'-P-C4' energy: -42.695 flat angles P-C4'-P energy: -23.821 tors. eta vs tors. theta energy: 5.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1131.782522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.782522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.782522 (E_RNA) where: Base-Base interactions energy: -787.881 where: short stacking energy: -327.167 Base-Backbone interact. energy: -0.985 local terms energy: -342.916855 where: bonds (distance) C4'-P energy: -71.608 bonds (distance) P-C4' energy: -61.269 flat angles C4'-P-C4' energy: -70.500 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -95.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1073.064553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.064553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.064553 (E_RNA) where: Base-Base interactions energy: -739.538 where: short stacking energy: -303.607 Base-Backbone interact. energy: -0.758 local terms energy: -332.769168 where: bonds (distance) C4'-P energy: -57.243 bonds (distance) P-C4' energy: -70.577 flat angles C4'-P-C4' energy: -74.632 flat angles P-C4'-P energy: -41.646 tors. eta vs tors. theta energy: -88.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1098.123047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.123047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.123047 (E_RNA) where: Base-Base interactions energy: -764.434 where: short stacking energy: -304.542 Base-Backbone interact. energy: -0.802 local terms energy: -332.887165 where: bonds (distance) C4'-P energy: -65.090 bonds (distance) P-C4' energy: -58.680 flat angles C4'-P-C4' energy: -72.880 flat angles P-C4'-P energy: -49.583 tors. eta vs tors. theta energy: -86.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -976.080776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.080776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.080776 (E_RNA) where: Base-Base interactions energy: -660.744 where: short stacking energy: -300.501 Base-Backbone interact. energy: -2.085 local terms energy: -313.251627 where: bonds (distance) C4'-P energy: -59.027 bonds (distance) P-C4' energy: -59.970 flat angles C4'-P-C4' energy: -61.976 flat angles P-C4'-P energy: -39.145 tors. eta vs tors. theta energy: -93.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -881.399334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.399334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.399334 (E_RNA) where: Base-Base interactions energy: -611.325 where: short stacking energy: -252.364 Base-Backbone interact. energy: -2.966 local terms energy: -267.108709 where: bonds (distance) C4'-P energy: -55.502 bonds (distance) P-C4' energy: -54.294 flat angles C4'-P-C4' energy: -57.250 flat angles P-C4'-P energy: -31.042 tors. eta vs tors. theta energy: -69.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -789.913668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.913668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.913668 (E_RNA) where: Base-Base interactions energy: -506.050 where: short stacking energy: -239.610 Base-Backbone interact. energy: -0.892 local terms energy: -282.971593 where: bonds (distance) C4'-P energy: -63.344 bonds (distance) P-C4' energy: -42.532 flat angles C4'-P-C4' energy: -58.979 flat angles P-C4'-P energy: -50.979 tors. eta vs tors. theta energy: -67.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -754.398822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.398822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.398822 (E_RNA) where: Base-Base interactions energy: -486.339 where: short stacking energy: -223.177 Base-Backbone interact. energy: -1.118 local terms energy: -266.941813 where: bonds (distance) C4'-P energy: -40.288 bonds (distance) P-C4' energy: -69.252 flat angles C4'-P-C4' energy: -57.596 flat angles P-C4'-P energy: -49.422 tors. eta vs tors. theta energy: -50.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -587.949779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.949779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.949779 (E_RNA) where: Base-Base interactions energy: -366.570 where: short stacking energy: -163.847 Base-Backbone interact. energy: -1.076 local terms energy: -220.303887 where: bonds (distance) C4'-P energy: -51.151 bonds (distance) P-C4' energy: -53.058 flat angles C4'-P-C4' energy: -49.304 flat angles P-C4'-P energy: -28.955 tors. eta vs tors. theta energy: -37.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -536.150563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.150563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.150563 (E_RNA) where: Base-Base interactions energy: -319.890 where: short stacking energy: -163.520 Base-Backbone interact. energy: -0.100 local terms energy: -216.161081 where: bonds (distance) C4'-P energy: -55.371 bonds (distance) P-C4' energy: -45.800 flat angles C4'-P-C4' energy: -53.258 flat angles P-C4'-P energy: -38.217 tors. eta vs tors. theta energy: -23.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -362.961367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.961367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.961367 (E_RNA) where: Base-Base interactions energy: -166.584 where: short stacking energy: -103.447 Base-Backbone interact. energy: -3.460 local terms energy: -192.917775 where: bonds (distance) C4'-P energy: -50.315 bonds (distance) P-C4' energy: -63.067 flat angles C4'-P-C4' energy: -48.988 flat angles P-C4'-P energy: -36.464 tors. eta vs tors. theta energy: 5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1135.877543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.877543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.877543 (E_RNA) where: Base-Base interactions energy: -796.011 where: short stacking energy: -327.047 Base-Backbone interact. energy: -0.967 local terms energy: -338.898913 where: bonds (distance) C4'-P energy: -59.564 bonds (distance) P-C4' energy: -65.820 flat angles C4'-P-C4' energy: -67.656 flat angles P-C4'-P energy: -50.517 tors. eta vs tors. theta energy: -95.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1083.849219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.849219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.849219 (E_RNA) where: Base-Base interactions energy: -748.529 where: short stacking energy: -309.612 Base-Backbone interact. energy: -1.091 local terms energy: -334.229280 where: bonds (distance) C4'-P energy: -53.240 bonds (distance) P-C4' energy: -60.947 flat angles C4'-P-C4' energy: -75.750 flat angles P-C4'-P energy: -50.508 tors. eta vs tors. theta energy: -93.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1061.446927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.446927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.446927 (E_RNA) where: Base-Base interactions energy: -728.133 where: short stacking energy: -306.147 Base-Backbone interact. energy: 2.821 local terms energy: -336.134898 where: bonds (distance) C4'-P energy: -61.011 bonds (distance) P-C4' energy: -69.967 flat angles C4'-P-C4' energy: -67.938 flat angles P-C4'-P energy: -48.516 tors. eta vs tors. theta energy: -88.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -991.127821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.127821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.127821 (E_RNA) where: Base-Base interactions energy: -679.757 where: short stacking energy: -312.521 Base-Backbone interact. energy: -1.203 local terms energy: -310.167675 where: bonds (distance) C4'-P energy: -53.593 bonds (distance) P-C4' energy: -57.971 flat angles C4'-P-C4' energy: -72.232 flat angles P-C4'-P energy: -39.485 tors. eta vs tors. theta energy: -86.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -910.736123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.736123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.736123 (E_RNA) where: Base-Base interactions energy: -612.399 where: short stacking energy: -272.200 Base-Backbone interact. energy: -2.370 local terms energy: -295.967124 where: bonds (distance) C4'-P energy: -51.560 bonds (distance) P-C4' energy: -56.550 flat angles C4'-P-C4' energy: -67.058 flat angles P-C4'-P energy: -43.374 tors. eta vs tors. theta energy: -77.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -816.660553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.660553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.660553 (E_RNA) where: Base-Base interactions energy: -531.046 where: short stacking energy: -247.693 Base-Backbone interact. energy: -2.297 local terms energy: -283.317132 where: bonds (distance) C4'-P energy: -61.791 bonds (distance) P-C4' energy: -52.327 flat angles C4'-P-C4' energy: -56.919 flat angles P-C4'-P energy: -42.407 tors. eta vs tors. theta energy: -69.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -760.751882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.751882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.751882 (E_RNA) where: Base-Base interactions energy: -508.663 where: short stacking energy: -233.108 Base-Backbone interact. energy: 0.231 local terms energy: -252.320011 where: bonds (distance) C4'-P energy: -56.764 bonds (distance) P-C4' energy: -48.045 flat angles C4'-P-C4' energy: -60.350 flat angles P-C4'-P energy: -32.446 tors. eta vs tors. theta energy: -54.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -637.576454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.576454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.576454 (E_RNA) where: Base-Base interactions energy: -406.311 where: short stacking energy: -176.105 Base-Backbone interact. energy: 0.277 local terms energy: -231.542109 where: bonds (distance) C4'-P energy: -53.309 bonds (distance) P-C4' energy: -55.836 flat angles C4'-P-C4' energy: -62.389 flat angles P-C4'-P energy: -19.606 tors. eta vs tors. theta energy: -40.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -513.935867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.935867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.935867 (E_RNA) where: Base-Base interactions energy: -300.687 where: short stacking energy: -150.367 Base-Backbone interact. energy: 0.813 local terms energy: -214.061368 where: bonds (distance) C4'-P energy: -49.355 bonds (distance) P-C4' energy: -53.054 flat angles C4'-P-C4' energy: -49.065 flat angles P-C4'-P energy: -36.193 tors. eta vs tors. theta energy: -26.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -340.248099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.248099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.248099 (E_RNA) where: Base-Base interactions energy: -157.422 where: short stacking energy: -99.445 Base-Backbone interact. energy: 3.100 local terms energy: -185.926401 where: bonds (distance) C4'-P energy: -41.237 bonds (distance) P-C4' energy: -44.100 flat angles C4'-P-C4' energy: -63.862 flat angles P-C4'-P energy: -31.041 tors. eta vs tors. theta energy: -5.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1132.995539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.995539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.995539 (E_RNA) where: Base-Base interactions energy: -789.654 where: short stacking energy: -330.529 Base-Backbone interact. energy: -0.384 local terms energy: -342.958128 where: bonds (distance) C4'-P energy: -62.269 bonds (distance) P-C4' energy: -64.892 flat angles C4'-P-C4' energy: -71.297 flat angles P-C4'-P energy: -50.464 tors. eta vs tors. theta energy: -94.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1074.250751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.250751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.250751 (E_RNA) where: Base-Base interactions energy: -744.332 where: short stacking energy: -306.412 Base-Backbone interact. energy: -2.312 local terms energy: -327.607241 where: bonds (distance) C4'-P energy: -61.691 bonds (distance) P-C4' energy: -60.553 flat angles C4'-P-C4' energy: -67.054 flat angles P-C4'-P energy: -48.180 tors. eta vs tors. theta energy: -90.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1049.039573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.039573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.039573 (E_RNA) where: Base-Base interactions energy: -723.886 where: short stacking energy: -281.130 Base-Backbone interact. energy: -2.268 local terms energy: -322.885459 where: bonds (distance) C4'-P energy: -65.242 bonds (distance) P-C4' energy: -60.479 flat angles C4'-P-C4' energy: -67.306 flat angles P-C4'-P energy: -45.029 tors. eta vs tors. theta energy: -84.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -956.499532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.499532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.499532 (E_RNA) where: Base-Base interactions energy: -637.585 where: short stacking energy: -302.288 Base-Backbone interact. energy: -0.669 local terms energy: -318.246013 where: bonds (distance) C4'-P energy: -61.405 bonds (distance) P-C4' energy: -58.524 flat angles C4'-P-C4' energy: -72.274 flat angles P-C4'-P energy: -39.677 tors. eta vs tors. theta energy: -86.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -878.997597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.997597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.997597 (E_RNA) where: Base-Base interactions energy: -590.397 where: short stacking energy: -254.574 Base-Backbone interact. energy: 0.984 local terms energy: -289.584467 where: bonds (distance) C4'-P energy: -52.296 bonds (distance) P-C4' energy: -66.483 flat angles C4'-P-C4' energy: -65.934 flat angles P-C4'-P energy: -38.204 tors. eta vs tors. theta energy: -66.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -800.978013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.978013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.978013 (E_RNA) where: Base-Base interactions energy: -514.434 where: short stacking energy: -232.643 Base-Backbone interact. energy: -1.745 local terms energy: -284.799133 where: bonds (distance) C4'-P energy: -58.714 bonds (distance) P-C4' energy: -58.515 flat angles C4'-P-C4' energy: -62.724 flat angles P-C4'-P energy: -42.713 tors. eta vs tors. theta energy: -62.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -731.103493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.103493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.103493 (E_RNA) where: Base-Base interactions energy: -470.036 where: short stacking energy: -227.152 Base-Backbone interact. energy: -0.326 local terms energy: -260.740844 where: bonds (distance) C4'-P energy: -51.399 bonds (distance) P-C4' energy: -53.781 flat angles C4'-P-C4' energy: -60.614 flat angles P-C4'-P energy: -33.650 tors. eta vs tors. theta energy: -61.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -581.124175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.124175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.124175 (E_RNA) where: Base-Base interactions energy: -362.670 where: short stacking energy: -168.181 Base-Backbone interact. energy: -0.081 local terms energy: -218.373478 where: bonds (distance) C4'-P energy: -53.423 bonds (distance) P-C4' energy: -59.720 flat angles C4'-P-C4' energy: -51.839 flat angles P-C4'-P energy: -19.547 tors. eta vs tors. theta energy: -33.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -545.308355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.308355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.308355 (E_RNA) where: Base-Base interactions energy: -335.470 where: short stacking energy: -161.114 Base-Backbone interact. energy: 0.099 local terms energy: -209.938023 where: bonds (distance) C4'-P energy: -58.123 bonds (distance) P-C4' energy: -43.425 flat angles C4'-P-C4' energy: -58.755 flat angles P-C4'-P energy: -23.057 tors. eta vs tors. theta energy: -26.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -358.102496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.102496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.102496 (E_RNA) where: Base-Base interactions energy: -167.026 where: short stacking energy: -100.063 Base-Backbone interact. energy: -1.416 local terms energy: -189.661060 where: bonds (distance) C4'-P energy: -50.708 bonds (distance) P-C4' energy: -61.373 flat angles C4'-P-C4' energy: -42.126 flat angles P-C4'-P energy: -26.784 tors. eta vs tors. theta energy: -8.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1131.511294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.511294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.511294 (E_RNA) where: Base-Base interactions energy: -792.677 where: short stacking energy: -334.509 Base-Backbone interact. energy: -1.321 local terms energy: -337.513149 where: bonds (distance) C4'-P energy: -61.972 bonds (distance) P-C4' energy: -69.336 flat angles C4'-P-C4' energy: -65.341 flat angles P-C4'-P energy: -47.504 tors. eta vs tors. theta energy: -93.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1099.844722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.844722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.844722 (E_RNA) where: Base-Base interactions energy: -771.124 where: short stacking energy: -307.365 Base-Backbone interact. energy: -2.532 local terms energy: -326.189444 where: bonds (distance) C4'-P energy: -56.931 bonds (distance) P-C4' energy: -69.178 flat angles C4'-P-C4' energy: -62.184 flat angles P-C4'-P energy: -50.803 tors. eta vs tors. theta energy: -87.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1029.733482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.733482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.733482 (E_RNA) where: Base-Base interactions energy: -702.591 where: short stacking energy: -284.509 Base-Backbone interact. energy: -0.373 local terms energy: -326.770056 where: bonds (distance) C4'-P energy: -60.791 bonds (distance) P-C4' energy: -65.600 flat angles C4'-P-C4' energy: -66.170 flat angles P-C4'-P energy: -54.039 tors. eta vs tors. theta energy: -80.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -974.296715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.296715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.296715 (E_RNA) where: Base-Base interactions energy: -642.553 where: short stacking energy: -292.845 Base-Backbone interact. energy: -1.569 local terms energy: -330.175227 where: bonds (distance) C4'-P energy: -57.886 bonds (distance) P-C4' energy: -62.259 flat angles C4'-P-C4' energy: -64.212 flat angles P-C4'-P energy: -54.784 tors. eta vs tors. theta energy: -91.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -922.332689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.332689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.332689 (E_RNA) where: Base-Base interactions energy: -618.539 where: short stacking energy: -253.356 Base-Backbone interact. energy: -0.165 local terms energy: -303.628412 where: bonds (distance) C4'-P energy: -63.225 bonds (distance) P-C4' energy: -57.465 flat angles C4'-P-C4' energy: -67.517 flat angles P-C4'-P energy: -42.946 tors. eta vs tors. theta energy: -72.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -747.170435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.170435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.170435 (E_RNA) where: Base-Base interactions energy: -474.726 where: short stacking energy: -212.291 Base-Backbone interact. energy: -0.368 local terms energy: -272.076430 where: bonds (distance) C4'-P energy: -58.926 bonds (distance) P-C4' energy: -59.823 flat angles C4'-P-C4' energy: -52.233 flat angles P-C4'-P energy: -40.620 tors. eta vs tors. theta energy: -60.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -763.154240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.154240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.154240 (E_RNA) where: Base-Base interactions energy: -500.564 where: short stacking energy: -239.822 Base-Backbone interact. energy: -0.763 local terms energy: -261.827370 where: bonds (distance) C4'-P energy: -58.331 bonds (distance) P-C4' energy: -41.896 flat angles C4'-P-C4' energy: -62.752 flat angles P-C4'-P energy: -32.986 tors. eta vs tors. theta energy: -65.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -554.241080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.241080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.241080 (E_RNA) where: Base-Base interactions energy: -321.654 where: short stacking energy: -149.099 Base-Backbone interact. energy: 0.676 local terms energy: -233.262904 where: bonds (distance) C4'-P energy: -56.564 bonds (distance) P-C4' energy: -53.211 flat angles C4'-P-C4' energy: -56.841 flat angles P-C4'-P energy: -37.354 tors. eta vs tors. theta energy: -29.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -419.109941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.109941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.109941 (E_RNA) where: Base-Base interactions energy: -220.811 where: short stacking energy: -123.173 Base-Backbone interact. energy: -1.145 local terms energy: -197.154089 where: bonds (distance) C4'-P energy: -48.969 bonds (distance) P-C4' energy: -56.358 flat angles C4'-P-C4' energy: -49.439 flat angles P-C4'-P energy: -24.879 tors. eta vs tors. theta energy: -17.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -396.017591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.017591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.017591 (E_RNA) where: Base-Base interactions energy: -181.251 where: short stacking energy: -123.077 Base-Backbone interact. energy: 0.686 local terms energy: -215.452164 where: bonds (distance) C4'-P energy: -47.691 bonds (distance) P-C4' energy: -59.356 flat angles C4'-P-C4' energy: -54.050 flat angles P-C4'-P energy: -34.967 tors. eta vs tors. theta energy: -19.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1155.110142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.110142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.110142 (E_RNA) where: Base-Base interactions energy: -802.037 where: short stacking energy: -339.389 Base-Backbone interact. energy: -2.516 local terms energy: -350.558093 where: bonds (distance) C4'-P energy: -67.381 bonds (distance) P-C4' energy: -63.874 flat angles C4'-P-C4' energy: -69.569 flat angles P-C4'-P energy: -56.315 tors. eta vs tors. theta energy: -93.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1103.713273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.713273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.713273 (E_RNA) where: Base-Base interactions energy: -795.758 where: short stacking energy: -306.741 Base-Backbone interact. energy: -1.053 local terms energy: -306.902041 where: bonds (distance) C4'-P energy: -46.562 bonds (distance) P-C4' energy: -64.113 flat angles C4'-P-C4' energy: -65.162 flat angles P-C4'-P energy: -46.034 tors. eta vs tors. theta energy: -85.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1050.631271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.631271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.631271 (E_RNA) where: Base-Base interactions energy: -728.471 where: short stacking energy: -293.498 Base-Backbone interact. energy: -1.048 local terms energy: -321.112614 where: bonds (distance) C4'-P energy: -68.755 bonds (distance) P-C4' energy: -65.914 flat angles C4'-P-C4' energy: -65.718 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -79.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -955.627576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.627576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.627576 (E_RNA) where: Base-Base interactions energy: -633.672 where: short stacking energy: -288.611 Base-Backbone interact. energy: -0.801 local terms energy: -321.154875 where: bonds (distance) C4'-P energy: -57.600 bonds (distance) P-C4' energy: -62.679 flat angles C4'-P-C4' energy: -69.693 flat angles P-C4'-P energy: -45.889 tors. eta vs tors. theta energy: -85.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -857.774020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.774020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.774020 (E_RNA) where: Base-Base interactions energy: -563.690 where: short stacking energy: -236.713 Base-Backbone interact. energy: -0.889 local terms energy: -293.194652 where: bonds (distance) C4'-P energy: -57.572 bonds (distance) P-C4' energy: -64.604 flat angles C4'-P-C4' energy: -62.673 flat angles P-C4'-P energy: -41.904 tors. eta vs tors. theta energy: -66.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -777.781620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.781620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.781620 (E_RNA) where: Base-Base interactions energy: -483.196 where: short stacking energy: -217.657 Base-Backbone interact. energy: 0.499 local terms energy: -295.084199 where: bonds (distance) C4'-P energy: -64.438 bonds (distance) P-C4' energy: -68.021 flat angles C4'-P-C4' energy: -58.470 flat angles P-C4'-P energy: -41.757 tors. eta vs tors. theta energy: -62.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -804.191497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.191497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.191497 (E_RNA) where: Base-Base interactions energy: -505.545 where: short stacking energy: -226.480 Base-Backbone interact. energy: -2.681 local terms energy: -295.965604 where: bonds (distance) C4'-P energy: -62.316 bonds (distance) P-C4' energy: -62.805 flat angles C4'-P-C4' energy: -65.888 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: -57.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -597.272252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.272252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.272252 (E_RNA) where: Base-Base interactions energy: -372.840 where: short stacking energy: -185.471 Base-Backbone interact. energy: -1.188 local terms energy: -223.244721 where: bonds (distance) C4'-P energy: -49.160 bonds (distance) P-C4' energy: -41.816 flat angles C4'-P-C4' energy: -54.020 flat angles P-C4'-P energy: -29.617 tors. eta vs tors. theta energy: -48.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -435.616564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.616564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.616564 (E_RNA) where: Base-Base interactions energy: -246.573 where: short stacking energy: -147.382 Base-Backbone interact. energy: 1.464 local terms energy: -190.507628 where: bonds (distance) C4'-P energy: -35.123 bonds (distance) P-C4' energy: -54.315 flat angles C4'-P-C4' energy: -49.258 flat angles P-C4'-P energy: -25.388 tors. eta vs tors. theta energy: -26.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -343.160242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.160242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.160242 (E_RNA) where: Base-Base interactions energy: -150.646 where: short stacking energy: -91.711 Base-Backbone interact. energy: -0.710 local terms energy: -191.803677 where: bonds (distance) C4'-P energy: -47.189 bonds (distance) P-C4' energy: -60.697 flat angles C4'-P-C4' energy: -50.088 flat angles P-C4'-P energy: -26.450 tors. eta vs tors. theta energy: -7.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1135.370787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.370787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.370787 (E_RNA) where: Base-Base interactions energy: -785.867 where: short stacking energy: -332.477 Base-Backbone interact. energy: -2.453 local terms energy: -347.050914 where: bonds (distance) C4'-P energy: -64.999 bonds (distance) P-C4' energy: -70.416 flat angles C4'-P-C4' energy: -76.742 flat angles P-C4'-P energy: -43.085 tors. eta vs tors. theta energy: -91.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1087.673144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.673144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.673144 (E_RNA) where: Base-Base interactions energy: -743.241 where: short stacking energy: -304.934 Base-Backbone interact. energy: -1.601 local terms energy: -342.831057 where: bonds (distance) C4'-P energy: -66.581 bonds (distance) P-C4' energy: -68.460 flat angles C4'-P-C4' energy: -77.308 flat angles P-C4'-P energy: -43.392 tors. eta vs tors. theta energy: -87.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1056.688698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.688698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.688698 (E_RNA) where: Base-Base interactions energy: -729.156 where: short stacking energy: -297.787 Base-Backbone interact. energy: -1.355 local terms energy: -326.177642 where: bonds (distance) C4'-P energy: -53.970 bonds (distance) P-C4' energy: -73.906 flat angles C4'-P-C4' energy: -67.595 flat angles P-C4'-P energy: -40.928 tors. eta vs tors. theta energy: -89.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -915.224724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.224724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.224724 (E_RNA) where: Base-Base interactions energy: -604.244 where: short stacking energy: -248.214 Base-Backbone interact. energy: -3.920 local terms energy: -307.059832 where: bonds (distance) C4'-P energy: -63.102 bonds (distance) P-C4' energy: -66.729 flat angles C4'-P-C4' energy: -76.213 flat angles P-C4'-P energy: -37.417 tors. eta vs tors. theta energy: -63.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -948.162732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.162732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.162732 (E_RNA) where: Base-Base interactions energy: -630.946 where: short stacking energy: -265.685 Base-Backbone interact. energy: -3.849 local terms energy: -313.367236 where: bonds (distance) C4'-P energy: -58.107 bonds (distance) P-C4' energy: -59.338 flat angles C4'-P-C4' energy: -68.419 flat angles P-C4'-P energy: -45.151 tors. eta vs tors. theta energy: -82.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -836.827745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.827745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.827745 (E_RNA) where: Base-Base interactions energy: -539.424 where: short stacking energy: -269.064 Base-Backbone interact. energy: -2.212 local terms energy: -295.192082 where: bonds (distance) C4'-P energy: -62.000 bonds (distance) P-C4' energy: -56.302 flat angles C4'-P-C4' energy: -65.027 flat angles P-C4'-P energy: -46.692 tors. eta vs tors. theta energy: -65.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -746.844460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.844460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.844460 (E_RNA) where: Base-Base interactions energy: -478.534 where: short stacking energy: -214.129 Base-Backbone interact. energy: -1.321 local terms energy: -266.989703 where: bonds (distance) C4'-P energy: -50.935 bonds (distance) P-C4' energy: -55.724 flat angles C4'-P-C4' energy: -54.155 flat angles P-C4'-P energy: -48.316 tors. eta vs tors. theta energy: -57.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -578.251697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.251697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.251697 (E_RNA) where: Base-Base interactions energy: -346.731 where: short stacking energy: -172.337 Base-Backbone interact. energy: -1.533 local terms energy: -229.987196 where: bonds (distance) C4'-P energy: -63.931 bonds (distance) P-C4' energy: -51.299 flat angles C4'-P-C4' energy: -49.086 flat angles P-C4'-P energy: -31.011 tors. eta vs tors. theta energy: -34.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -409.082088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.082088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.082088 (E_RNA) where: Base-Base interactions energy: -181.844 where: short stacking energy: -114.251 Base-Backbone interact. energy: -0.766 local terms energy: -226.471592 where: bonds (distance) C4'-P energy: -63.084 bonds (distance) P-C4' energy: -62.754 flat angles C4'-P-C4' energy: -65.174 flat angles P-C4'-P energy: -38.710 tors. eta vs tors. theta energy: 3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -384.761581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.761581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.761581 (E_RNA) where: Base-Base interactions energy: -192.779 where: short stacking energy: -94.733 Base-Backbone interact. energy: -1.796 local terms energy: -190.186185 where: bonds (distance) C4'-P energy: -42.864 bonds (distance) P-C4' energy: -63.826 flat angles C4'-P-C4' energy: -48.650 flat angles P-C4'-P energy: -33.866 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1130.835312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.835312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.835312 (E_RNA) where: Base-Base interactions energy: -795.025 where: short stacking energy: -324.325 Base-Backbone interact. energy: 1.961 local terms energy: -337.771968 where: bonds (distance) C4'-P energy: -61.106 bonds (distance) P-C4' energy: -70.417 flat angles C4'-P-C4' energy: -74.716 flat angles P-C4'-P energy: -45.344 tors. eta vs tors. theta energy: -86.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1080.333387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.333387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.333387 (E_RNA) where: Base-Base interactions energy: -747.559 where: short stacking energy: -284.385 Base-Backbone interact. energy: 4.293 local terms energy: -337.067265 where: bonds (distance) C4'-P energy: -61.523 bonds (distance) P-C4' energy: -62.841 flat angles C4'-P-C4' energy: -69.447 flat angles P-C4'-P energy: -51.211 tors. eta vs tors. theta energy: -92.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1068.583425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.583425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.583425 (E_RNA) where: Base-Base interactions energy: -746.017 where: short stacking energy: -282.544 Base-Backbone interact. energy: -2.538 local terms energy: -320.028969 where: bonds (distance) C4'-P energy: -64.353 bonds (distance) P-C4' energy: -59.166 flat angles C4'-P-C4' energy: -67.987 flat angles P-C4'-P energy: -44.972 tors. eta vs tors. theta energy: -83.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -900.385802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.385802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.385802 (E_RNA) where: Base-Base interactions energy: -591.225 where: short stacking energy: -265.576 Base-Backbone interact. energy: 0.820 local terms energy: -309.980938 where: bonds (distance) C4'-P energy: -59.017 bonds (distance) P-C4' energy: -68.580 flat angles C4'-P-C4' energy: -68.928 flat angles P-C4'-P energy: -43.414 tors. eta vs tors. theta energy: -70.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -926.295466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.295466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.295466 (E_RNA) where: Base-Base interactions energy: -610.687 where: short stacking energy: -279.554 Base-Backbone interact. energy: -1.595 local terms energy: -314.012936 where: bonds (distance) C4'-P energy: -55.096 bonds (distance) P-C4' energy: -59.937 flat angles C4'-P-C4' energy: -60.625 flat angles P-C4'-P energy: -49.045 tors. eta vs tors. theta energy: -89.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -804.147495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.147495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.147495 (E_RNA) where: Base-Base interactions energy: -529.616 where: short stacking energy: -255.193 Base-Backbone interact. energy: 1.872 local terms energy: -276.403619 where: bonds (distance) C4'-P energy: -42.762 bonds (distance) P-C4' energy: -65.372 flat angles C4'-P-C4' energy: -62.011 flat angles P-C4'-P energy: -39.923 tors. eta vs tors. theta energy: -66.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -750.277239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.277239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.277239 (E_RNA) where: Base-Base interactions energy: -469.725 where: short stacking energy: -207.019 Base-Backbone interact. energy: -1.277 local terms energy: -279.275439 where: bonds (distance) C4'-P energy: -61.560 bonds (distance) P-C4' energy: -58.131 flat angles C4'-P-C4' energy: -57.786 flat angles P-C4'-P energy: -43.593 tors. eta vs tors. theta energy: -58.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -583.222595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.222595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.222595 (E_RNA) where: Base-Base interactions energy: -359.046 where: short stacking energy: -166.798 Base-Backbone interact. energy: -2.508 local terms energy: -221.668696 where: bonds (distance) C4'-P energy: -46.514 bonds (distance) P-C4' energy: -58.594 flat angles C4'-P-C4' energy: -54.027 flat angles P-C4'-P energy: -37.380 tors. eta vs tors. theta energy: -25.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -449.341929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.341929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.341929 (E_RNA) where: Base-Base interactions energy: -241.369 where: short stacking energy: -148.463 Base-Backbone interact. energy: -0.310 local terms energy: -207.663755 where: bonds (distance) C4'-P energy: -50.064 bonds (distance) P-C4' energy: -61.625 flat angles C4'-P-C4' energy: -47.224 flat angles P-C4'-P energy: -25.257 tors. eta vs tors. theta energy: -23.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -389.845115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.845115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.845115 (E_RNA) where: Base-Base interactions energy: -184.737 where: short stacking energy: -111.530 Base-Backbone interact. energy: -1.589 local terms energy: -203.519650 where: bonds (distance) C4'-P energy: -51.754 bonds (distance) P-C4' energy: -65.716 flat angles C4'-P-C4' energy: -47.532 flat angles P-C4'-P energy: -24.048 tors. eta vs tors. theta energy: -14.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1160.076546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.076546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.076546 (E_RNA) where: Base-Base interactions energy: -813.682 where: short stacking energy: -332.306 Base-Backbone interact. energy: -1.065 local terms energy: -345.328872 where: bonds (distance) C4'-P energy: -70.557 bonds (distance) P-C4' energy: -65.965 flat angles C4'-P-C4' energy: -75.767 flat angles P-C4'-P energy: -43.514 tors. eta vs tors. theta energy: -89.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1082.863597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.863597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.863597 (E_RNA) where: Base-Base interactions energy: -777.688 where: short stacking energy: -308.795 Base-Backbone interact. energy: -3.542 local terms energy: -301.633429 where: bonds (distance) C4'-P energy: -55.429 bonds (distance) P-C4' energy: -55.657 flat angles C4'-P-C4' energy: -62.834 flat angles P-C4'-P energy: -35.659 tors. eta vs tors. theta energy: -92.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1049.183116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.183116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.183116 (E_RNA) where: Base-Base interactions energy: -725.573 where: short stacking energy: -296.102 Base-Backbone interact. energy: -1.920 local terms energy: -321.690060 where: bonds (distance) C4'-P energy: -58.191 bonds (distance) P-C4' energy: -64.038 flat angles C4'-P-C4' energy: -69.520 flat angles P-C4'-P energy: -39.748 tors. eta vs tors. theta energy: -90.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -965.739688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.739688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.739688 (E_RNA) where: Base-Base interactions energy: -651.543 where: short stacking energy: -274.173 Base-Backbone interact. energy: -1.412 local terms energy: -312.784852 where: bonds (distance) C4'-P energy: -59.994 bonds (distance) P-C4' energy: -61.893 flat angles C4'-P-C4' energy: -68.874 flat angles P-C4'-P energy: -42.147 tors. eta vs tors. theta energy: -79.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -880.284208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.284208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.284208 (E_RNA) where: Base-Base interactions energy: -585.008 where: short stacking energy: -256.762 Base-Backbone interact. energy: -1.121 local terms energy: -294.155320 where: bonds (distance) C4'-P energy: -64.007 bonds (distance) P-C4' energy: -51.491 flat angles C4'-P-C4' energy: -72.950 flat angles P-C4'-P energy: -39.670 tors. eta vs tors. theta energy: -66.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -802.658981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.658981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.658981 (E_RNA) where: Base-Base interactions energy: -526.044 where: short stacking energy: -254.216 Base-Backbone interact. energy: -2.422 local terms energy: -274.192547 where: bonds (distance) C4'-P energy: -43.826 bonds (distance) P-C4' energy: -58.737 flat angles C4'-P-C4' energy: -67.111 flat angles P-C4'-P energy: -37.710 tors. eta vs tors. theta energy: -66.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -799.611449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.611449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.611449 (E_RNA) where: Base-Base interactions energy: -524.897 where: short stacking energy: -242.148 Base-Backbone interact. energy: -0.290 local terms energy: -274.424701 where: bonds (distance) C4'-P energy: -62.575 bonds (distance) P-C4' energy: -51.391 flat angles C4'-P-C4' energy: -60.051 flat angles P-C4'-P energy: -40.334 tors. eta vs tors. theta energy: -60.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -503.251407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.251407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.251407 (E_RNA) where: Base-Base interactions energy: -291.442 where: short stacking energy: -150.120 Base-Backbone interact. energy: -0.703 local terms energy: -211.107264 where: bonds (distance) C4'-P energy: -49.827 bonds (distance) P-C4' energy: -57.908 flat angles C4'-P-C4' energy: -44.716 flat angles P-C4'-P energy: -36.867 tors. eta vs tors. theta energy: -21.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -486.090181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.090181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.090181 (E_RNA) where: Base-Base interactions energy: -261.899 where: short stacking energy: -118.026 Base-Backbone interact. energy: -0.290 local terms energy: -223.901322 where: bonds (distance) C4'-P energy: -58.652 bonds (distance) P-C4' energy: -49.274 flat angles C4'-P-C4' energy: -56.488 flat angles P-C4'-P energy: -32.140 tors. eta vs tors. theta energy: -27.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -375.845186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.845186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.845186 (E_RNA) where: Base-Base interactions energy: -198.782 where: short stacking energy: -96.730 Base-Backbone interact. energy: 1.043 local terms energy: -178.106383 where: bonds (distance) C4'-P energy: -50.948 bonds (distance) P-C4' energy: -58.759 flat angles C4'-P-C4' energy: -42.867 flat angles P-C4'-P energy: -24.538 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1146.431009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.431009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.431009 (E_RNA) where: Base-Base interactions energy: -809.459 where: short stacking energy: -328.785 Base-Backbone interact. energy: -0.914 local terms energy: -336.058339 where: bonds (distance) C4'-P energy: -67.623 bonds (distance) P-C4' energy: -61.984 flat angles C4'-P-C4' energy: -70.682 flat angles P-C4'-P energy: -45.870 tors. eta vs tors. theta energy: -89.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1073.367400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.367400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.367400 (E_RNA) where: Base-Base interactions energy: -761.489 where: short stacking energy: -297.337 Base-Backbone interact. energy: -1.496 local terms energy: -310.382181 where: bonds (distance) C4'-P energy: -67.878 bonds (distance) P-C4' energy: -60.942 flat angles C4'-P-C4' energy: -53.878 flat angles P-C4'-P energy: -43.386 tors. eta vs tors. theta energy: -84.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1052.820193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.820193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.820193 (E_RNA) where: Base-Base interactions energy: -738.083 where: short stacking energy: -290.897 Base-Backbone interact. energy: 1.677 local terms energy: -316.413624 where: bonds (distance) C4'-P energy: -56.184 bonds (distance) P-C4' energy: -65.468 flat angles C4'-P-C4' energy: -73.124 flat angles P-C4'-P energy: -36.352 tors. eta vs tors. theta energy: -85.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -986.795530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.795530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.795530 (E_RNA) where: Base-Base interactions energy: -657.794 where: short stacking energy: -287.381 Base-Backbone interact. energy: -2.486 local terms energy: -326.515601 where: bonds (distance) C4'-P energy: -62.189 bonds (distance) P-C4' energy: -58.493 flat angles C4'-P-C4' energy: -70.176 flat angles P-C4'-P energy: -50.544 tors. eta vs tors. theta energy: -85.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -854.973991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.973991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.973991 (E_RNA) where: Base-Base interactions energy: -596.843 where: short stacking energy: -269.832 Base-Backbone interact. energy: -1.448 local terms energy: -256.682899 where: bonds (distance) C4'-P energy: -46.769 bonds (distance) P-C4' energy: -41.367 flat angles C4'-P-C4' energy: -61.782 flat angles P-C4'-P energy: -38.094 tors. eta vs tors. theta energy: -68.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -840.226773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.226773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.226773 (E_RNA) where: Base-Base interactions energy: -555.045 where: short stacking energy: -273.140 Base-Backbone interact. energy: 1.285 local terms energy: -286.466685 where: bonds (distance) C4'-P energy: -45.085 bonds (distance) P-C4' energy: -58.581 flat angles C4'-P-C4' energy: -70.005 flat angles P-C4'-P energy: -37.166 tors. eta vs tors. theta energy: -75.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -789.500162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.500162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.500162 (E_RNA) where: Base-Base interactions energy: -509.149 where: short stacking energy: -232.170 Base-Backbone interact. energy: 0.470 local terms energy: -280.821201 where: bonds (distance) C4'-P energy: -61.482 bonds (distance) P-C4' energy: -66.344 flat angles C4'-P-C4' energy: -55.510 flat angles P-C4'-P energy: -42.416 tors. eta vs tors. theta energy: -55.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -513.644530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.644530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.644530 (E_RNA) where: Base-Base interactions energy: -302.877 where: short stacking energy: -154.163 Base-Backbone interact. energy: 2.041 local terms energy: -212.808994 where: bonds (distance) C4'-P energy: -47.424 bonds (distance) P-C4' energy: -56.614 flat angles C4'-P-C4' energy: -53.154 flat angles P-C4'-P energy: -33.272 tors. eta vs tors. theta energy: -22.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -459.432039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.432039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.432039 (E_RNA) where: Base-Base interactions energy: -251.507 where: short stacking energy: -117.745 Base-Backbone interact. energy: 3.527 local terms energy: -211.451579 where: bonds (distance) C4'-P energy: -44.109 bonds (distance) P-C4' energy: -51.925 flat angles C4'-P-C4' energy: -51.692 flat angles P-C4'-P energy: -42.246 tors. eta vs tors. theta energy: -21.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -387.475248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.475248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.475248 (E_RNA) where: Base-Base interactions energy: -197.698 where: short stacking energy: -121.787 Base-Backbone interact. energy: -1.674 local terms energy: -188.102844 where: bonds (distance) C4'-P energy: -44.976 bonds (distance) P-C4' energy: -57.014 flat angles C4'-P-C4' energy: -50.480 flat angles P-C4'-P energy: -29.704 tors. eta vs tors. theta energy: -5.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1125.320718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.320718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.320718 (E_RNA) where: Base-Base interactions energy: -804.336 where: short stacking energy: -330.041 Base-Backbone interact. energy: -2.161 local terms energy: -318.823839 where: bonds (distance) C4'-P energy: -51.846 bonds (distance) P-C4' energy: -66.206 flat angles C4'-P-C4' energy: -74.312 flat angles P-C4'-P energy: -34.713 tors. eta vs tors. theta energy: -91.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1092.861610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.861610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.861610 (E_RNA) where: Base-Base interactions energy: -766.309 where: short stacking energy: -306.191 Base-Backbone interact. energy: -1.006 local terms energy: -325.546523 where: bonds (distance) C4'-P energy: -65.332 bonds (distance) P-C4' energy: -54.963 flat angles C4'-P-C4' energy: -69.734 flat angles P-C4'-P energy: -45.907 tors. eta vs tors. theta energy: -89.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1026.132857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.132857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.132857 (E_RNA) where: Base-Base interactions energy: -715.190 where: short stacking energy: -296.841 Base-Backbone interact. energy: -1.578 local terms energy: -309.364295 where: bonds (distance) C4'-P energy: -55.535 bonds (distance) P-C4' energy: -65.248 flat angles C4'-P-C4' energy: -65.662 flat angles P-C4'-P energy: -40.716 tors. eta vs tors. theta energy: -82.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -978.692097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.692097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.692097 (E_RNA) where: Base-Base interactions energy: -676.173 where: short stacking energy: -284.180 Base-Backbone interact. energy: -1.311 local terms energy: -301.208396 where: bonds (distance) C4'-P energy: -48.086 bonds (distance) P-C4' energy: -67.565 flat angles C4'-P-C4' energy: -69.936 flat angles P-C4'-P energy: -35.713 tors. eta vs tors. theta energy: -79.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -861.688164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.688164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.688164 (E_RNA) where: Base-Base interactions energy: -584.583 where: short stacking energy: -256.480 Base-Backbone interact. energy: -0.741 local terms energy: -276.363727 where: bonds (distance) C4'-P energy: -46.125 bonds (distance) P-C4' energy: -65.018 flat angles C4'-P-C4' energy: -58.824 flat angles P-C4'-P energy: -33.698 tors. eta vs tors. theta energy: -72.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -829.906057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.906057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.906057 (E_RNA) where: Base-Base interactions energy: -541.626 where: short stacking energy: -238.879 Base-Backbone interact. energy: -1.365 local terms energy: -286.914828 where: bonds (distance) C4'-P energy: -55.617 bonds (distance) P-C4' energy: -59.341 flat angles C4'-P-C4' energy: -66.140 flat angles P-C4'-P energy: -45.237 tors. eta vs tors. theta energy: -60.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -762.940792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.940792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.940792 (E_RNA) where: Base-Base interactions energy: -496.637 where: short stacking energy: -228.936 Base-Backbone interact. energy: -0.300 local terms energy: -266.003792 where: bonds (distance) C4'-P energy: -50.140 bonds (distance) P-C4' energy: -56.270 flat angles C4'-P-C4' energy: -64.602 flat angles P-C4'-P energy: -40.300 tors. eta vs tors. theta energy: -54.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -569.322243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.322243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.322243 (E_RNA) where: Base-Base interactions energy: -350.548 where: short stacking energy: -173.159 Base-Backbone interact. energy: -2.889 local terms energy: -215.885109 where: bonds (distance) C4'-P energy: -58.900 bonds (distance) P-C4' energy: -41.504 flat angles C4'-P-C4' energy: -54.581 flat angles P-C4'-P energy: -35.116 tors. eta vs tors. theta energy: -25.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -409.899853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.899853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.899853 (E_RNA) where: Base-Base interactions energy: -198.289 where: short stacking energy: -121.135 Base-Backbone interact. energy: 3.098 local terms energy: -214.709085 where: bonds (distance) C4'-P energy: -54.679 bonds (distance) P-C4' energy: -61.783 flat angles C4'-P-C4' energy: -47.819 flat angles P-C4'-P energy: -36.855 tors. eta vs tors. theta energy: -13.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -339.366604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.366604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.366604 (E_RNA) where: Base-Base interactions energy: -174.820 where: short stacking energy: -98.732 Base-Backbone interact. energy: -0.680 local terms energy: -163.866719 where: bonds (distance) C4'-P energy: -55.136 bonds (distance) P-C4' energy: -54.362 flat angles C4'-P-C4' energy: -40.112 flat angles P-C4'-P energy: -19.479 tors. eta vs tors. theta energy: 5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1131.516693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.516693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.516693 (E_RNA) where: Base-Base interactions energy: -790.839 where: short stacking energy: -322.356 Base-Backbone interact. energy: -2.465 local terms energy: -338.212516 where: bonds (distance) C4'-P energy: -63.895 bonds (distance) P-C4' energy: -66.820 flat angles C4'-P-C4' energy: -67.272 flat angles P-C4'-P energy: -51.108 tors. eta vs tors. theta energy: -89.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1063.678482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.678482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.678482 (E_RNA) where: Base-Base interactions energy: -736.792 where: short stacking energy: -289.278 Base-Backbone interact. energy: -2.091 local terms energy: -324.795321 where: bonds (distance) C4'-P energy: -62.020 bonds (distance) P-C4' energy: -67.513 flat angles C4'-P-C4' energy: -67.111 flat angles P-C4'-P energy: -42.983 tors. eta vs tors. theta energy: -85.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1070.680666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.680666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.680666 (E_RNA) where: Base-Base interactions energy: -758.542 where: short stacking energy: -304.966 Base-Backbone interact. energy: 0.989 local terms energy: -313.127372 where: bonds (distance) C4'-P energy: -55.755 bonds (distance) P-C4' energy: -59.154 flat angles C4'-P-C4' energy: -71.132 flat angles P-C4'-P energy: -43.096 tors. eta vs tors. theta energy: -83.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -927.641108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.641108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.641108 (E_RNA) where: Base-Base interactions energy: -621.449 where: short stacking energy: -260.949 Base-Backbone interact. energy: -1.737 local terms energy: -304.455376 where: bonds (distance) C4'-P energy: -47.083 bonds (distance) P-C4' energy: -67.873 flat angles C4'-P-C4' energy: -64.445 flat angles P-C4'-P energy: -44.893 tors. eta vs tors. theta energy: -80.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -862.692348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.692348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.692348 (E_RNA) where: Base-Base interactions energy: -581.454 where: short stacking energy: -248.888 Base-Backbone interact. energy: -0.917 local terms energy: -280.321284 where: bonds (distance) C4'-P energy: -62.427 bonds (distance) P-C4' energy: -61.599 flat angles C4'-P-C4' energy: -64.231 flat angles P-C4'-P energy: -26.201 tors. eta vs tors. theta energy: -65.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -818.920155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.920155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.920155 (E_RNA) where: Base-Base interactions energy: -537.351 where: short stacking energy: -254.511 Base-Backbone interact. energy: -0.434 local terms energy: -281.135185 where: bonds (distance) C4'-P energy: -50.431 bonds (distance) P-C4' energy: -58.192 flat angles C4'-P-C4' energy: -56.207 flat angles P-C4'-P energy: -42.097 tors. eta vs tors. theta energy: -74.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -739.026664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.026664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.026664 (E_RNA) where: Base-Base interactions energy: -482.656 where: short stacking energy: -215.099 Base-Backbone interact. energy: -1.146 local terms energy: -255.224839 where: bonds (distance) C4'-P energy: -44.544 bonds (distance) P-C4' energy: -63.344 flat angles C4'-P-C4' energy: -52.555 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: -55.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -588.965456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.965456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.965456 (E_RNA) where: Base-Base interactions energy: -342.710 where: short stacking energy: -174.663 Base-Backbone interact. energy: 0.668 local terms energy: -246.923922 where: bonds (distance) C4'-P energy: -53.330 bonds (distance) P-C4' energy: -51.537 flat angles C4'-P-C4' energy: -58.362 flat angles P-C4'-P energy: -38.939 tors. eta vs tors. theta energy: -44.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -382.719745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.719745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.719745 (E_RNA) where: Base-Base interactions energy: -183.281 where: short stacking energy: -117.587 Base-Backbone interact. energy: -1.952 local terms energy: -197.486519 where: bonds (distance) C4'-P energy: -56.107 bonds (distance) P-C4' energy: -52.965 flat angles C4'-P-C4' energy: -53.387 flat angles P-C4'-P energy: -21.987 tors. eta vs tors. theta energy: -13.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -334.005422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.005422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.005422 (E_RNA) where: Base-Base interactions energy: -157.183 where: short stacking energy: -92.068 Base-Backbone interact. energy: -2.959 local terms energy: -173.863351 where: bonds (distance) C4'-P energy: -48.524 bonds (distance) P-C4' energy: -60.703 flat angles C4'-P-C4' energy: -42.331 flat angles P-C4'-P energy: -26.172 tors. eta vs tors. theta energy: 3.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1131.060059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.060059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.060059 (E_RNA) where: Base-Base interactions energy: -793.150 where: short stacking energy: -323.410 Base-Backbone interact. energy: -2.180 local terms energy: -335.730345 where: bonds (distance) C4'-P energy: -65.294 bonds (distance) P-C4' energy: -57.307 flat angles C4'-P-C4' energy: -66.514 flat angles P-C4'-P energy: -52.717 tors. eta vs tors. theta energy: -93.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1072.017903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.017903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.017903 (E_RNA) where: Base-Base interactions energy: -730.470 where: short stacking energy: -305.547 Base-Backbone interact. energy: -0.729 local terms energy: -340.818621 where: bonds (distance) C4'-P energy: -68.308 bonds (distance) P-C4' energy: -68.050 flat angles C4'-P-C4' energy: -71.923 flat angles P-C4'-P energy: -42.203 tors. eta vs tors. theta energy: -90.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1067.246585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.246585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.246585 (E_RNA) where: Base-Base interactions energy: -740.983 where: short stacking energy: -303.432 Base-Backbone interact. energy: -0.742 local terms energy: -325.522222 where: bonds (distance) C4'-P energy: -57.380 bonds (distance) P-C4' energy: -54.777 flat angles C4'-P-C4' energy: -66.926 flat angles P-C4'-P energy: -52.812 tors. eta vs tors. theta energy: -93.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -958.241727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.241727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.241727 (E_RNA) where: Base-Base interactions energy: -655.387 where: short stacking energy: -288.450 Base-Backbone interact. energy: -0.236 local terms energy: -302.618384 where: bonds (distance) C4'-P energy: -56.377 bonds (distance) P-C4' energy: -59.080 flat angles C4'-P-C4' energy: -67.188 flat angles P-C4'-P energy: -37.814 tors. eta vs tors. theta energy: -82.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -897.699081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.699081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.699081 (E_RNA) where: Base-Base interactions energy: -604.660 where: short stacking energy: -260.379 Base-Backbone interact. energy: 4.319 local terms energy: -297.358246 where: bonds (distance) C4'-P energy: -63.874 bonds (distance) P-C4' energy: -54.433 flat angles C4'-P-C4' energy: -61.770 flat angles P-C4'-P energy: -43.496 tors. eta vs tors. theta energy: -73.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -832.066229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.066229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.066229 (E_RNA) where: Base-Base interactions energy: -540.408 where: short stacking energy: -276.240 Base-Backbone interact. energy: -1.304 local terms energy: -290.354430 where: bonds (distance) C4'-P energy: -61.579 bonds (distance) P-C4' energy: -50.740 flat angles C4'-P-C4' energy: -67.709 flat angles P-C4'-P energy: -35.049 tors. eta vs tors. theta energy: -75.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -729.236392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.236392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.236392 (E_RNA) where: Base-Base interactions energy: -469.568 where: short stacking energy: -219.875 Base-Backbone interact. energy: -0.759 local terms energy: -258.909383 where: bonds (distance) C4'-P energy: -52.723 bonds (distance) P-C4' energy: -58.124 flat angles C4'-P-C4' energy: -60.566 flat angles P-C4'-P energy: -31.591 tors. eta vs tors. theta energy: -55.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -590.231738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.231738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.231738 (E_RNA) where: Base-Base interactions energy: -361.873 where: short stacking energy: -173.587 Base-Backbone interact. energy: 3.144 local terms energy: -231.503152 where: bonds (distance) C4'-P energy: -63.653 bonds (distance) P-C4' energy: -51.618 flat angles C4'-P-C4' energy: -61.097 flat angles P-C4'-P energy: -26.365 tors. eta vs tors. theta energy: -28.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -378.952533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.952533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.952533 (E_RNA) where: Base-Base interactions energy: -194.233 where: short stacking energy: -117.188 Base-Backbone interact. energy: 1.372 local terms energy: -186.091620 where: bonds (distance) C4'-P energy: -47.834 bonds (distance) P-C4' energy: -55.481 flat angles C4'-P-C4' energy: -54.262 flat angles P-C4'-P energy: -30.416 tors. eta vs tors. theta energy: 1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -339.959798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.959798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.959798 (E_RNA) where: Base-Base interactions energy: -150.314 where: short stacking energy: -92.352 Base-Backbone interact. energy: -0.675 local terms energy: -188.970961 where: bonds (distance) C4'-P energy: -60.279 bonds (distance) P-C4' energy: -58.639 flat angles C4'-P-C4' energy: -54.166 flat angles P-C4'-P energy: -18.621 tors. eta vs tors. theta energy: 2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1135.316668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.316668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.316668 (E_RNA) where: Base-Base interactions energy: -790.132 where: short stacking energy: -317.934 Base-Backbone interact. energy: 0.493 local terms energy: -345.677780 where: bonds (distance) C4'-P energy: -63.352 bonds (distance) P-C4' energy: -72.340 flat angles C4'-P-C4' energy: -68.250 flat angles P-C4'-P energy: -51.419 tors. eta vs tors. theta energy: -90.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1063.988979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.988979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.988979 (E_RNA) where: Base-Base interactions energy: -732.449 where: short stacking energy: -293.130 Base-Backbone interact. energy: -2.143 local terms energy: -329.397093 where: bonds (distance) C4'-P energy: -58.634 bonds (distance) P-C4' energy: -65.842 flat angles C4'-P-C4' energy: -62.535 flat angles P-C4'-P energy: -50.820 tors. eta vs tors. theta energy: -91.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1070.632140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.632140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.632140 (E_RNA) where: Base-Base interactions energy: -728.863 where: short stacking energy: -311.954 Base-Backbone interact. energy: -2.074 local terms energy: -339.694727 where: bonds (distance) C4'-P energy: -66.997 bonds (distance) P-C4' energy: -61.304 flat angles C4'-P-C4' energy: -70.832 flat angles P-C4'-P energy: -49.238 tors. eta vs tors. theta energy: -91.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -985.159069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.159069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.159069 (E_RNA) where: Base-Base interactions energy: -666.819 where: short stacking energy: -292.647 Base-Backbone interact. energy: -1.473 local terms energy: -316.866932 where: bonds (distance) C4'-P energy: -59.044 bonds (distance) P-C4' energy: -55.065 flat angles C4'-P-C4' energy: -68.665 flat angles P-C4'-P energy: -45.357 tors. eta vs tors. theta energy: -88.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -907.632534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.632534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.632534 (E_RNA) where: Base-Base interactions energy: -599.395 where: short stacking energy: -251.896 Base-Backbone interact. energy: -2.305 local terms energy: -305.932487 where: bonds (distance) C4'-P energy: -59.088 bonds (distance) P-C4' energy: -64.724 flat angles C4'-P-C4' energy: -61.141 flat angles P-C4'-P energy: -48.337 tors. eta vs tors. theta energy: -72.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -822.234578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.234578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.234578 (E_RNA) where: Base-Base interactions energy: -527.707 where: short stacking energy: -241.194 Base-Backbone interact. energy: -0.966 local terms energy: -293.561162 where: bonds (distance) C4'-P energy: -68.013 bonds (distance) P-C4' energy: -53.102 flat angles C4'-P-C4' energy: -59.455 flat angles P-C4'-P energy: -41.698 tors. eta vs tors. theta energy: -71.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -712.476331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.476331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.476331 (E_RNA) where: Base-Base interactions energy: -457.776 where: short stacking energy: -210.514 Base-Backbone interact. energy: -2.112 local terms energy: -252.588256 where: bonds (distance) C4'-P energy: -44.469 bonds (distance) P-C4' energy: -63.068 flat angles C4'-P-C4' energy: -63.495 flat angles P-C4'-P energy: -35.377 tors. eta vs tors. theta energy: -46.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -589.227632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.227632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.227632 (E_RNA) where: Base-Base interactions energy: -348.861 where: short stacking energy: -166.213 Base-Backbone interact. energy: -1.194 local terms energy: -239.173368 where: bonds (distance) C4'-P energy: -51.692 bonds (distance) P-C4' energy: -57.989 flat angles C4'-P-C4' energy: -57.139 flat angles P-C4'-P energy: -39.000 tors. eta vs tors. theta energy: -33.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -444.186973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.186973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.186973 (E_RNA) where: Base-Base interactions energy: -222.481 where: short stacking energy: -119.065 Base-Backbone interact. energy: -0.359 local terms energy: -221.346423 where: bonds (distance) C4'-P energy: -60.128 bonds (distance) P-C4' energy: -48.675 flat angles C4'-P-C4' energy: -43.942 flat angles P-C4'-P energy: -42.763 tors. eta vs tors. theta energy: -25.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -315.187740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.187740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.187740 (E_RNA) where: Base-Base interactions energy: -129.091 where: short stacking energy: -82.158 Base-Backbone interact. energy: 3.030 local terms energy: -189.127322 where: bonds (distance) C4'-P energy: -51.968 bonds (distance) P-C4' energy: -53.891 flat angles C4'-P-C4' energy: -57.777 flat angles P-C4'-P energy: -29.179 tors. eta vs tors. theta energy: 3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1134.986022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.986022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.986022 (E_RNA) where: Base-Base interactions energy: -794.331 where: short stacking energy: -328.164 Base-Backbone interact. energy: -1.088 local terms energy: -339.567226 where: bonds (distance) C4'-P energy: -62.701 bonds (distance) P-C4' energy: -65.166 flat angles C4'-P-C4' energy: -72.244 flat angles P-C4'-P energy: -47.400 tors. eta vs tors. theta energy: -92.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1103.342964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.342964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.342964 (E_RNA) where: Base-Base interactions energy: -761.297 where: short stacking energy: -304.907 Base-Backbone interact. energy: -3.025 local terms energy: -339.020610 where: bonds (distance) C4'-P energy: -70.411 bonds (distance) P-C4' energy: -69.951 flat angles C4'-P-C4' energy: -66.972 flat angles P-C4'-P energy: -40.710 tors. eta vs tors. theta energy: -90.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1038.269649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.269649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.269649 (E_RNA) where: Base-Base interactions energy: -723.340 where: short stacking energy: -305.933 Base-Backbone interact. energy: -1.839 local terms energy: -313.090523 where: bonds (distance) C4'-P energy: -55.200 bonds (distance) P-C4' energy: -57.313 flat angles C4'-P-C4' energy: -71.878 flat angles P-C4'-P energy: -47.643 tors. eta vs tors. theta energy: -81.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -996.040594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.040594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.040594 (E_RNA) where: Base-Base interactions energy: -662.461 where: short stacking energy: -274.820 Base-Backbone interact. energy: -1.891 local terms energy: -331.688059 where: bonds (distance) C4'-P energy: -61.774 bonds (distance) P-C4' energy: -65.328 flat angles C4'-P-C4' energy: -70.666 flat angles P-C4'-P energy: -43.816 tors. eta vs tors. theta energy: -90.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -897.237538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.237538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.237538 (E_RNA) where: Base-Base interactions energy: -596.437 where: short stacking energy: -246.489 Base-Backbone interact. energy: -1.638 local terms energy: -299.162375 where: bonds (distance) C4'-P energy: -52.469 bonds (distance) P-C4' energy: -65.272 flat angles C4'-P-C4' energy: -66.172 flat angles P-C4'-P energy: -39.954 tors. eta vs tors. theta energy: -75.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -836.749474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.749474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.749474 (E_RNA) where: Base-Base interactions energy: -566.965 where: short stacking energy: -266.352 Base-Backbone interact. energy: 0.667 local terms energy: -270.452151 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -47.246 flat angles C4'-P-C4' energy: -66.169 flat angles P-C4'-P energy: -32.725 tors. eta vs tors. theta energy: -66.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -757.801613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.801613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.801613 (E_RNA) where: Base-Base interactions energy: -490.723 where: short stacking energy: -224.355 Base-Backbone interact. energy: -1.450 local terms energy: -265.628541 where: bonds (distance) C4'-P energy: -56.032 bonds (distance) P-C4' energy: -59.274 flat angles C4'-P-C4' energy: -53.396 flat angles P-C4'-P energy: -36.725 tors. eta vs tors. theta energy: -60.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -530.877077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.877077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.877077 (E_RNA) where: Base-Base interactions energy: -319.415 where: short stacking energy: -169.556 Base-Backbone interact. energy: 2.778 local terms energy: -214.240181 where: bonds (distance) C4'-P energy: -41.334 bonds (distance) P-C4' energy: -53.528 flat angles C4'-P-C4' energy: -42.666 flat angles P-C4'-P energy: -36.144 tors. eta vs tors. theta energy: -40.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -431.747880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.747880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.747880 (E_RNA) where: Base-Base interactions energy: -237.813 where: short stacking energy: -138.431 Base-Backbone interact. energy: -0.716 local terms energy: -193.219173 where: bonds (distance) C4'-P energy: -52.008 bonds (distance) P-C4' energy: -59.189 flat angles C4'-P-C4' energy: -46.618 flat angles P-C4'-P energy: -20.534 tors. eta vs tors. theta energy: -14.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -273.015511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.015511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.015511 (E_RNA) where: Base-Base interactions energy: -107.815 where: short stacking energy: -90.585 Base-Backbone interact. energy: -0.293 local terms energy: -164.906656 where: bonds (distance) C4'-P energy: -57.515 bonds (distance) P-C4' energy: -53.311 flat angles C4'-P-C4' energy: -32.700 flat angles P-C4'-P energy: -36.644 tors. eta vs tors. theta energy: 15.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1132.324508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.324508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.324508 (E_RNA) where: Base-Base interactions energy: -806.030 where: short stacking energy: -337.192 Base-Backbone interact. energy: -0.830 local terms energy: -325.464606 where: bonds (distance) C4'-P energy: -61.533 bonds (distance) P-C4' energy: -59.980 flat angles C4'-P-C4' energy: -68.724 flat angles P-C4'-P energy: -50.482 tors. eta vs tors. theta energy: -84.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1086.582528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.582528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.582528 (E_RNA) where: Base-Base interactions energy: -762.819 where: short stacking energy: -300.737 Base-Backbone interact. energy: -1.952 local terms energy: -321.811877 where: bonds (distance) C4'-P energy: -52.762 bonds (distance) P-C4' energy: -68.693 flat angles C4'-P-C4' energy: -70.309 flat angles P-C4'-P energy: -45.531 tors. eta vs tors. theta energy: -84.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1042.562852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.562852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.562852 (E_RNA) where: Base-Base interactions energy: -708.869 where: short stacking energy: -306.414 Base-Backbone interact. energy: -1.144 local terms energy: -332.549181 where: bonds (distance) C4'-P energy: -55.782 bonds (distance) P-C4' energy: -58.611 flat angles C4'-P-C4' energy: -76.433 flat angles P-C4'-P energy: -50.825 tors. eta vs tors. theta energy: -90.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -988.245898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.245898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.245898 (E_RNA) where: Base-Base interactions energy: -671.836 where: short stacking energy: -288.741 Base-Backbone interact. energy: -1.282 local terms energy: -315.128740 where: bonds (distance) C4'-P energy: -59.550 bonds (distance) P-C4' energy: -53.510 flat angles C4'-P-C4' energy: -68.576 flat angles P-C4'-P energy: -53.074 tors. eta vs tors. theta energy: -80.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -853.810019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.810019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.810019 (E_RNA) where: Base-Base interactions energy: -542.141 where: short stacking energy: -275.455 Base-Backbone interact. energy: 0.655 local terms energy: -312.324523 where: bonds (distance) C4'-P energy: -63.895 bonds (distance) P-C4' energy: -61.647 flat angles C4'-P-C4' energy: -62.631 flat angles P-C4'-P energy: -42.813 tors. eta vs tors. theta energy: -81.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -852.532816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.532816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.532816 (E_RNA) where: Base-Base interactions energy: -564.915 where: short stacking energy: -235.893 Base-Backbone interact. energy: 0.307 local terms energy: -287.924288 where: bonds (distance) C4'-P energy: -53.565 bonds (distance) P-C4' energy: -63.556 flat angles C4'-P-C4' energy: -61.788 flat angles P-C4'-P energy: -33.024 tors. eta vs tors. theta energy: -75.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -771.622855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.622855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.622855 (E_RNA) where: Base-Base interactions energy: -480.903 where: short stacking energy: -226.947 Base-Backbone interact. energy: 0.097 local terms energy: -290.816648 where: bonds (distance) C4'-P energy: -54.794 bonds (distance) P-C4' energy: -70.717 flat angles C4'-P-C4' energy: -71.302 flat angles P-C4'-P energy: -35.556 tors. eta vs tors. theta energy: -58.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -542.759750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.759750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.759750 (E_RNA) where: Base-Base interactions energy: -310.716 where: short stacking energy: -161.565 Base-Backbone interact. energy: -0.839 local terms energy: -231.204633 where: bonds (distance) C4'-P energy: -54.984 bonds (distance) P-C4' energy: -57.991 flat angles C4'-P-C4' energy: -53.030 flat angles P-C4'-P energy: -32.822 tors. eta vs tors. theta energy: -32.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -465.961383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.961383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.961383 (E_RNA) where: Base-Base interactions energy: -252.586 where: short stacking energy: -140.501 Base-Backbone interact. energy: 6.918 local terms energy: -220.293224 where: bonds (distance) C4'-P energy: -49.335 bonds (distance) P-C4' energy: -63.155 flat angles C4'-P-C4' energy: -61.349 flat angles P-C4'-P energy: -24.492 tors. eta vs tors. theta energy: -21.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -281.480958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.480958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.480958 (E_RNA) where: Base-Base interactions energy: -111.350 where: short stacking energy: -93.051 Base-Backbone interact. energy: 3.070 local terms energy: -173.200673 where: bonds (distance) C4'-P energy: -55.832 bonds (distance) P-C4' energy: -45.365 flat angles C4'-P-C4' energy: -43.794 flat angles P-C4'-P energy: -29.605 tors. eta vs tors. theta energy: 1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1146.341758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.341758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.341758 (E_RNA) where: Base-Base interactions energy: -803.392 where: short stacking energy: -331.889 Base-Backbone interact. energy: -0.158 local terms energy: -342.791329 where: bonds (distance) C4'-P energy: -56.451 bonds (distance) P-C4' energy: -66.034 flat angles C4'-P-C4' energy: -73.652 flat angles P-C4'-P energy: -51.185 tors. eta vs tors. theta energy: -95.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1062.943602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.943602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.943602 (E_RNA) where: Base-Base interactions energy: -717.606 where: short stacking energy: -302.107 Base-Backbone interact. energy: -2.072 local terms energy: -343.265553 where: bonds (distance) C4'-P energy: -73.943 bonds (distance) P-C4' energy: -57.309 flat angles C4'-P-C4' energy: -70.279 flat angles P-C4'-P energy: -48.575 tors. eta vs tors. theta energy: -93.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1045.450147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.450147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.450147 (E_RNA) where: Base-Base interactions energy: -725.345 where: short stacking energy: -300.215 Base-Backbone interact. energy: -2.434 local terms energy: -317.670613 where: bonds (distance) C4'-P energy: -58.120 bonds (distance) P-C4' energy: -55.012 flat angles C4'-P-C4' energy: -66.812 flat angles P-C4'-P energy: -48.715 tors. eta vs tors. theta energy: -89.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -969.270906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.270906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.270906 (E_RNA) where: Base-Base interactions energy: -644.766 where: short stacking energy: -292.575 Base-Backbone interact. energy: -0.499 local terms energy: -324.005453 where: bonds (distance) C4'-P energy: -57.980 bonds (distance) P-C4' energy: -55.368 flat angles C4'-P-C4' energy: -71.980 flat angles P-C4'-P energy: -46.142 tors. eta vs tors. theta energy: -92.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -830.778252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.778252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.778252 (E_RNA) where: Base-Base interactions energy: -544.217 where: short stacking energy: -257.056 Base-Backbone interact. energy: -0.858 local terms energy: -285.702931 where: bonds (distance) C4'-P energy: -54.855 bonds (distance) P-C4' energy: -57.034 flat angles C4'-P-C4' energy: -72.417 flat angles P-C4'-P energy: -39.225 tors. eta vs tors. theta energy: -62.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -831.439961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.439961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.439961 (E_RNA) where: Base-Base interactions energy: -554.671 where: short stacking energy: -236.532 Base-Backbone interact. energy: -2.625 local terms energy: -274.144026 where: bonds (distance) C4'-P energy: -58.774 bonds (distance) P-C4' energy: -60.379 flat angles C4'-P-C4' energy: -57.353 flat angles P-C4'-P energy: -28.915 tors. eta vs tors. theta energy: -68.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -762.455147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.455147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.455147 (E_RNA) where: Base-Base interactions energy: -503.047 where: short stacking energy: -220.214 Base-Backbone interact. energy: -0.006 local terms energy: -259.402192 where: bonds (distance) C4'-P energy: -49.369 bonds (distance) P-C4' energy: -61.859 flat angles C4'-P-C4' energy: -50.658 flat angles P-C4'-P energy: -41.996 tors. eta vs tors. theta energy: -55.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -514.619009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.619009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.619009 (E_RNA) where: Base-Base interactions energy: -300.985 where: short stacking energy: -173.577 Base-Backbone interact. energy: -2.281 local terms energy: -211.353242 where: bonds (distance) C4'-P energy: -56.045 bonds (distance) P-C4' energy: -50.695 flat angles C4'-P-C4' energy: -50.267 flat angles P-C4'-P energy: -32.576 tors. eta vs tors. theta energy: -21.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -439.244536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.244536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.244536 (E_RNA) where: Base-Base interactions energy: -230.064 where: short stacking energy: -138.126 Base-Backbone interact. energy: 4.558 local terms energy: -213.739180 where: bonds (distance) C4'-P energy: -55.449 bonds (distance) P-C4' energy: -64.740 flat angles C4'-P-C4' energy: -51.966 flat angles P-C4'-P energy: -22.367 tors. eta vs tors. theta energy: -19.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -265.443120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.443120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.443120 (E_RNA) where: Base-Base interactions energy: -86.985 where: short stacking energy: -80.136 Base-Backbone interact. energy: 0.891 local terms energy: -179.348859 where: bonds (distance) C4'-P energy: -45.714 bonds (distance) P-C4' energy: -55.369 flat angles C4'-P-C4' energy: -59.292 flat angles P-C4'-P energy: -28.160 tors. eta vs tors. theta energy: 9.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1127.126400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.126400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.126400 (E_RNA) where: Base-Base interactions energy: -794.326 where: short stacking energy: -338.050 Base-Backbone interact. energy: 0.007 local terms energy: -332.807004 where: bonds (distance) C4'-P energy: -58.976 bonds (distance) P-C4' energy: -65.126 flat angles C4'-P-C4' energy: -69.116 flat angles P-C4'-P energy: -40.124 tors. eta vs tors. theta energy: -99.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1071.123215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.123215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.123215 (E_RNA) where: Base-Base interactions energy: -729.363 where: short stacking energy: -312.898 Base-Backbone interact. energy: -2.457 local terms energy: -339.302698 where: bonds (distance) C4'-P energy: -62.739 bonds (distance) P-C4' energy: -66.888 flat angles C4'-P-C4' energy: -71.562 flat angles P-C4'-P energy: -47.487 tors. eta vs tors. theta energy: -90.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1042.424559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.424559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.424559 (E_RNA) where: Base-Base interactions energy: -730.706 where: short stacking energy: -283.982 Base-Backbone interact. energy: -0.088 local terms energy: -311.630810 where: bonds (distance) C4'-P energy: -56.192 bonds (distance) P-C4' energy: -66.044 flat angles C4'-P-C4' energy: -69.246 flat angles P-C4'-P energy: -39.412 tors. eta vs tors. theta energy: -80.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -959.919402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.919402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.919402 (E_RNA) where: Base-Base interactions energy: -653.399 where: short stacking energy: -286.795 Base-Backbone interact. energy: 0.822 local terms energy: -307.342094 where: bonds (distance) C4'-P energy: -52.016 bonds (distance) P-C4' energy: -58.919 flat angles C4'-P-C4' energy: -62.341 flat angles P-C4'-P energy: -52.987 tors. eta vs tors. theta energy: -81.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -906.824137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.824137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.824137 (E_RNA) where: Base-Base interactions energy: -623.564 where: short stacking energy: -271.497 Base-Backbone interact. energy: 0.420 local terms energy: -283.679811 where: bonds (distance) C4'-P energy: -50.564 bonds (distance) P-C4' energy: -66.323 flat angles C4'-P-C4' energy: -58.808 flat angles P-C4'-P energy: -39.558 tors. eta vs tors. theta energy: -68.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -822.845460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.845460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.845460 (E_RNA) where: Base-Base interactions energy: -551.063 where: short stacking energy: -239.937 Base-Backbone interact. energy: -1.566 local terms energy: -270.216755 where: bonds (distance) C4'-P energy: -42.855 bonds (distance) P-C4' energy: -54.756 flat angles C4'-P-C4' energy: -68.865 flat angles P-C4'-P energy: -42.794 tors. eta vs tors. theta energy: -60.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -763.402248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.402248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.402248 (E_RNA) where: Base-Base interactions energy: -501.611 where: short stacking energy: -219.866 Base-Backbone interact. energy: -0.025 local terms energy: -261.766889 where: bonds (distance) C4'-P energy: -59.650 bonds (distance) P-C4' energy: -55.121 flat angles C4'-P-C4' energy: -60.016 flat angles P-C4'-P energy: -34.125 tors. eta vs tors. theta energy: -52.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -546.502914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.502914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.502914 (E_RNA) where: Base-Base interactions energy: -335.667 where: short stacking energy: -177.099 Base-Backbone interact. energy: 1.618 local terms energy: -212.453472 where: bonds (distance) C4'-P energy: -47.435 bonds (distance) P-C4' energy: -53.684 flat angles C4'-P-C4' energy: -47.343 flat angles P-C4'-P energy: -39.057 tors. eta vs tors. theta energy: -24.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -457.038852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.038852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.038852 (E_RNA) where: Base-Base interactions energy: -256.047 where: short stacking energy: -137.416 Base-Backbone interact. energy: 1.978 local terms energy: -202.970075 where: bonds (distance) C4'-P energy: -44.155 bonds (distance) P-C4' energy: -47.934 flat angles C4'-P-C4' energy: -51.715 flat angles P-C4'-P energy: -39.071 tors. eta vs tors. theta energy: -20.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -266.465175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.465175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.465175 (E_RNA) where: Base-Base interactions energy: -101.253 where: short stacking energy: -80.679 Base-Backbone interact. energy: 4.936 local terms energy: -170.147826 where: bonds (distance) C4'-P energy: -46.921 bonds (distance) P-C4' energy: -52.390 flat angles C4'-P-C4' energy: -42.574 flat angles P-C4'-P energy: -37.529 tors. eta vs tors. theta energy: 9.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1131.327145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.327145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.327145 (E_RNA) where: Base-Base interactions energy: -778.190 where: short stacking energy: -331.564 Base-Backbone interact. energy: -2.291 local terms energy: -350.846212 where: bonds (distance) C4'-P energy: -64.816 bonds (distance) P-C4' energy: -70.393 flat angles C4'-P-C4' energy: -76.005 flat angles P-C4'-P energy: -47.091 tors. eta vs tors. theta energy: -92.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1079.125002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.125002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.125002 (E_RNA) where: Base-Base interactions energy: -739.293 where: short stacking energy: -309.138 Base-Backbone interact. energy: -1.147 local terms energy: -338.685615 where: bonds (distance) C4'-P energy: -64.697 bonds (distance) P-C4' energy: -65.008 flat angles C4'-P-C4' energy: -72.440 flat angles P-C4'-P energy: -50.009 tors. eta vs tors. theta energy: -86.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1053.191849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.191849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.191849 (E_RNA) where: Base-Base interactions energy: -751.548 where: short stacking energy: -297.022 Base-Backbone interact. energy: -2.493 local terms energy: -299.151489 where: bonds (distance) C4'-P energy: -53.895 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -54.323 flat angles P-C4'-P energy: -53.580 tors. eta vs tors. theta energy: -77.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -935.202041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.202041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.202041 (E_RNA) where: Base-Base interactions energy: -625.644 where: short stacking energy: -269.544 Base-Backbone interact. energy: -0.563 local terms energy: -308.995527 where: bonds (distance) C4'-P energy: -61.363 bonds (distance) P-C4' energy: -54.507 flat angles C4'-P-C4' energy: -68.568 flat angles P-C4'-P energy: -46.373 tors. eta vs tors. theta energy: -78.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -921.866463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.866463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.866463 (E_RNA) where: Base-Base interactions energy: -612.625 where: short stacking energy: -268.924 Base-Backbone interact. energy: -1.709 local terms energy: -307.531712 where: bonds (distance) C4'-P energy: -59.800 bonds (distance) P-C4' energy: -62.938 flat angles C4'-P-C4' energy: -68.203 flat angles P-C4'-P energy: -36.296 tors. eta vs tors. theta energy: -80.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -856.759809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.759809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.759809 (E_RNA) where: Base-Base interactions energy: -574.919 where: short stacking energy: -262.950 Base-Backbone interact. energy: 0.128 local terms energy: -281.968768 where: bonds (distance) C4'-P energy: -35.785 bonds (distance) P-C4' energy: -74.280 flat angles C4'-P-C4' energy: -54.707 flat angles P-C4'-P energy: -43.614 tors. eta vs tors. theta energy: -73.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -764.025386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.025386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.025386 (E_RNA) where: Base-Base interactions energy: -500.868 where: short stacking energy: -233.444 Base-Backbone interact. energy: -1.093 local terms energy: -262.064431 where: bonds (distance) C4'-P energy: -53.409 bonds (distance) P-C4' energy: -52.266 flat angles C4'-P-C4' energy: -62.349 flat angles P-C4'-P energy: -33.660 tors. eta vs tors. theta energy: -60.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -525.691330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.691330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.691330 (E_RNA) where: Base-Base interactions energy: -294.720 where: short stacking energy: -155.860 Base-Backbone interact. energy: 0.795 local terms energy: -231.765853 where: bonds (distance) C4'-P energy: -52.275 bonds (distance) P-C4' energy: -59.052 flat angles C4'-P-C4' energy: -59.999 flat angles P-C4'-P energy: -32.233 tors. eta vs tors. theta energy: -28.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -404.382268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.382268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.382268 (E_RNA) where: Base-Base interactions energy: -201.999 where: short stacking energy: -128.003 Base-Backbone interact. energy: -0.745 local terms energy: -201.637883 where: bonds (distance) C4'-P energy: -51.680 bonds (distance) P-C4' energy: -59.237 flat angles C4'-P-C4' energy: -55.133 flat angles P-C4'-P energy: -23.493 tors. eta vs tors. theta energy: -12.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -273.427301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.427301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.427301 (E_RNA) where: Base-Base interactions energy: -115.314 where: short stacking energy: -100.558 Base-Backbone interact. energy: -1.744 local terms energy: -156.369416 where: bonds (distance) C4'-P energy: -54.104 bonds (distance) P-C4' energy: -53.567 flat angles C4'-P-C4' energy: -36.359 flat angles P-C4'-P energy: -16.810 tors. eta vs tors. theta energy: 4.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1131.846949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.846949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.846949 (E_RNA) where: Base-Base interactions energy: -781.196 where: short stacking energy: -330.497 Base-Backbone interact. energy: 0.173 local terms energy: -350.824309 where: bonds (distance) C4'-P energy: -67.176 bonds (distance) P-C4' energy: -65.192 flat angles C4'-P-C4' energy: -72.789 flat angles P-C4'-P energy: -49.431 tors. eta vs tors. theta energy: -96.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1072.324388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.324388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.324388 (E_RNA) where: Base-Base interactions energy: -737.803 where: short stacking energy: -292.037 Base-Backbone interact. energy: 2.439 local terms energy: -336.960224 where: bonds (distance) C4'-P energy: -63.476 bonds (distance) P-C4' energy: -63.011 flat angles C4'-P-C4' energy: -72.361 flat angles P-C4'-P energy: -48.477 tors. eta vs tors. theta energy: -89.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1052.613428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.613428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.613428 (E_RNA) where: Base-Base interactions energy: -726.618 where: short stacking energy: -293.356 Base-Backbone interact. energy: -2.520 local terms energy: -323.475875 where: bonds (distance) C4'-P energy: -55.602 bonds (distance) P-C4' energy: -63.116 flat angles C4'-P-C4' energy: -74.098 flat angles P-C4'-P energy: -45.609 tors. eta vs tors. theta energy: -85.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -959.151120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.151120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.151120 (E_RNA) where: Base-Base interactions energy: -663.200 where: short stacking energy: -274.037 Base-Backbone interact. energy: 1.198 local terms energy: -297.149455 where: bonds (distance) C4'-P energy: -55.836 bonds (distance) P-C4' energy: -53.014 flat angles C4'-P-C4' energy: -68.584 flat angles P-C4'-P energy: -46.297 tors. eta vs tors. theta energy: -73.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -915.193342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.193342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.193342 (E_RNA) where: Base-Base interactions energy: -600.838 where: short stacking energy: -258.699 Base-Backbone interact. energy: 0.723 local terms energy: -315.078187 where: bonds (distance) C4'-P energy: -59.848 bonds (distance) P-C4' energy: -59.855 flat angles C4'-P-C4' energy: -68.919 flat angles P-C4'-P energy: -48.977 tors. eta vs tors. theta energy: -77.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -883.763962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.763962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.763962 (E_RNA) where: Base-Base interactions energy: -583.525 where: short stacking energy: -265.219 Base-Backbone interact. energy: 0.774 local terms energy: -301.013320 where: bonds (distance) C4'-P energy: -56.512 bonds (distance) P-C4' energy: -58.911 flat angles C4'-P-C4' energy: -68.304 flat angles P-C4'-P energy: -42.872 tors. eta vs tors. theta energy: -74.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -772.418895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.418895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.418895 (E_RNA) where: Base-Base interactions energy: -478.654 where: short stacking energy: -218.994 Base-Backbone interact. energy: -1.243 local terms energy: -292.521994 where: bonds (distance) C4'-P energy: -63.714 bonds (distance) P-C4' energy: -58.419 flat angles C4'-P-C4' energy: -59.606 flat angles P-C4'-P energy: -52.772 tors. eta vs tors. theta energy: -58.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -549.354313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.354313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.354313 (E_RNA) where: Base-Base interactions energy: -322.420 where: short stacking energy: -157.730 Base-Backbone interact. energy: -1.000 local terms energy: -225.934170 where: bonds (distance) C4'-P energy: -42.396 bonds (distance) P-C4' energy: -66.760 flat angles C4'-P-C4' energy: -62.538 flat angles P-C4'-P energy: -22.626 tors. eta vs tors. theta energy: -31.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -448.933101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.933101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.933101 (E_RNA) where: Base-Base interactions energy: -251.028 where: short stacking energy: -132.482 Base-Backbone interact. energy: -0.754 local terms energy: -197.150902 where: bonds (distance) C4'-P energy: -48.096 bonds (distance) P-C4' energy: -53.189 flat angles C4'-P-C4' energy: -45.818 flat angles P-C4'-P energy: -36.132 tors. eta vs tors. theta energy: -13.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -279.724514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.724514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.724514 (E_RNA) where: Base-Base interactions energy: -116.487 where: short stacking energy: -95.172 Base-Backbone interact. energy: 0.049 local terms energy: -163.287203 where: bonds (distance) C4'-P energy: -59.256 bonds (distance) P-C4' energy: -53.507 flat angles C4'-P-C4' energy: -35.335 flat angles P-C4'-P energy: -18.456 tors. eta vs tors. theta energy: 3.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1120.805194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.805194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.805194 (E_RNA) where: Base-Base interactions energy: -781.548 where: short stacking energy: -328.500 Base-Backbone interact. energy: -2.891 local terms energy: -336.366313 where: bonds (distance) C4'-P energy: -67.938 bonds (distance) P-C4' energy: -62.465 flat angles C4'-P-C4' energy: -73.134 flat angles P-C4'-P energy: -48.765 tors. eta vs tors. theta energy: -84.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1082.369159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.369159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.369159 (E_RNA) where: Base-Base interactions energy: -752.256 where: short stacking energy: -296.188 Base-Backbone interact. energy: -0.386 local terms energy: -329.727770 where: bonds (distance) C4'-P energy: -58.016 bonds (distance) P-C4' energy: -65.849 flat angles C4'-P-C4' energy: -77.509 flat angles P-C4'-P energy: -44.007 tors. eta vs tors. theta energy: -84.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1050.991272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.991272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.991272 (E_RNA) where: Base-Base interactions energy: -738.735 where: short stacking energy: -291.636 Base-Backbone interact. energy: -2.101 local terms energy: -310.155720 where: bonds (distance) C4'-P energy: -56.970 bonds (distance) P-C4' energy: -63.795 flat angles C4'-P-C4' energy: -63.885 flat angles P-C4'-P energy: -38.875 tors. eta vs tors. theta energy: -86.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -954.588136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.588136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.588136 (E_RNA) where: Base-Base interactions energy: -641.166 where: short stacking energy: -268.739 Base-Backbone interact. energy: 0.545 local terms energy: -313.967093 where: bonds (distance) C4'-P energy: -67.755 bonds (distance) P-C4' energy: -69.220 flat angles C4'-P-C4' energy: -62.633 flat angles P-C4'-P energy: -33.071 tors. eta vs tors. theta energy: -81.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -942.602585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.602585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.602585 (E_RNA) where: Base-Base interactions energy: -643.526 where: short stacking energy: -264.749 Base-Backbone interact. energy: -1.246 local terms energy: -297.829753 where: bonds (distance) C4'-P energy: -59.377 bonds (distance) P-C4' energy: -44.255 flat angles C4'-P-C4' energy: -74.725 flat angles P-C4'-P energy: -34.468 tors. eta vs tors. theta energy: -85.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -825.364320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.364320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.364320 (E_RNA) where: Base-Base interactions energy: -523.500 where: short stacking energy: -253.515 Base-Backbone interact. energy: -0.823 local terms energy: -301.040959 where: bonds (distance) C4'-P energy: -54.718 bonds (distance) P-C4' energy: -64.668 flat angles C4'-P-C4' energy: -71.612 flat angles P-C4'-P energy: -38.217 tors. eta vs tors. theta energy: -71.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -767.201510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.201510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.201510 (E_RNA) where: Base-Base interactions energy: -495.775 where: short stacking energy: -213.364 Base-Backbone interact. energy: -0.310 local terms energy: -271.116462 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -54.683 flat angles C4'-P-C4' energy: -61.604 flat angles P-C4'-P energy: -30.059 tors. eta vs tors. theta energy: -62.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -524.397886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.397886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.397886 (E_RNA) where: Base-Base interactions energy: -293.703 where: short stacking energy: -134.130 Base-Backbone interact. energy: 0.988 local terms energy: -231.682843 where: bonds (distance) C4'-P energy: -45.277 bonds (distance) P-C4' energy: -68.938 flat angles C4'-P-C4' energy: -58.866 flat angles P-C4'-P energy: -34.620 tors. eta vs tors. theta energy: -23.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -458.836367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.836367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.836367 (E_RNA) where: Base-Base interactions energy: -262.388 where: short stacking energy: -147.919 Base-Backbone interact. energy: -0.414 local terms energy: -196.034339 where: bonds (distance) C4'-P energy: -43.869 bonds (distance) P-C4' energy: -45.649 flat angles C4'-P-C4' energy: -50.112 flat angles P-C4'-P energy: -30.108 tors. eta vs tors. theta energy: -26.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -280.181148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.181148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.181148 (E_RNA) where: Base-Base interactions energy: -117.981 where: short stacking energy: -76.982 Base-Backbone interact. energy: 0.106 local terms energy: -162.306274 where: bonds (distance) C4'-P energy: -54.570 bonds (distance) P-C4' energy: -42.352 flat angles C4'-P-C4' energy: -51.838 flat angles P-C4'-P energy: -28.292 tors. eta vs tors. theta energy: 14.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1131.935745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.935745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.935745 (E_RNA) where: Base-Base interactions energy: -795.406 where: short stacking energy: -316.003 Base-Backbone interact. energy: -0.314 local terms energy: -336.215812 where: bonds (distance) C4'-P energy: -63.831 bonds (distance) P-C4' energy: -65.874 flat angles C4'-P-C4' energy: -67.404 flat angles P-C4'-P energy: -46.975 tors. eta vs tors. theta energy: -92.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1124.251842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.251842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.251842 (E_RNA) where: Base-Base interactions energy: -791.636 where: short stacking energy: -326.271 Base-Backbone interact. energy: -2.325 local terms energy: -330.291093 where: bonds (distance) C4'-P energy: -58.884 bonds (distance) P-C4' energy: -68.712 flat angles C4'-P-C4' energy: -67.564 flat angles P-C4'-P energy: -49.477 tors. eta vs tors. theta energy: -85.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1050.165288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.165288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.165288 (E_RNA) where: Base-Base interactions energy: -741.369 where: short stacking energy: -296.416 Base-Backbone interact. energy: -1.307 local terms energy: -307.489180 where: bonds (distance) C4'-P energy: -57.284 bonds (distance) P-C4' energy: -53.075 flat angles C4'-P-C4' energy: -69.889 flat angles P-C4'-P energy: -43.278 tors. eta vs tors. theta energy: -83.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -932.399599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.399599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.399599 (E_RNA) where: Base-Base interactions energy: -621.075 where: short stacking energy: -277.941 Base-Backbone interact. energy: -0.053 local terms energy: -311.271413 where: bonds (distance) C4'-P energy: -65.307 bonds (distance) P-C4' energy: -68.787 flat angles C4'-P-C4' energy: -65.562 flat angles P-C4'-P energy: -35.128 tors. eta vs tors. theta energy: -76.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -962.518556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.518556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.518556 (E_RNA) where: Base-Base interactions energy: -658.760 where: short stacking energy: -288.897 Base-Backbone interact. energy: 0.528 local terms energy: -304.286011 where: bonds (distance) C4'-P energy: -50.068 bonds (distance) P-C4' energy: -67.980 flat angles C4'-P-C4' energy: -62.567 flat angles P-C4'-P energy: -37.217 tors. eta vs tors. theta energy: -86.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -811.929103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.929103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.929103 (E_RNA) where: Base-Base interactions energy: -534.706 where: short stacking energy: -250.633 Base-Backbone interact. energy: -1.461 local terms energy: -275.761970 where: bonds (distance) C4'-P energy: -55.179 bonds (distance) P-C4' energy: -51.952 flat angles C4'-P-C4' energy: -61.241 flat angles P-C4'-P energy: -37.076 tors. eta vs tors. theta energy: -70.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -746.546245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.546245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.546245 (E_RNA) where: Base-Base interactions energy: -510.421 where: short stacking energy: -235.517 Base-Backbone interact. energy: -0.190 local terms energy: -235.935039 where: bonds (distance) C4'-P energy: -34.198 bonds (distance) P-C4' energy: -52.640 flat angles C4'-P-C4' energy: -60.040 flat angles P-C4'-P energy: -25.333 tors. eta vs tors. theta energy: -63.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -527.767913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.767913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.767913 (E_RNA) where: Base-Base interactions energy: -312.861 where: short stacking energy: -151.680 Base-Backbone interact. energy: -0.863 local terms energy: -214.043978 where: bonds (distance) C4'-P energy: -52.224 bonds (distance) P-C4' energy: -58.907 flat angles C4'-P-C4' energy: -44.156 flat angles P-C4'-P energy: -39.321 tors. eta vs tors. theta energy: -19.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -460.201732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.201732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.201732 (E_RNA) where: Base-Base interactions energy: -237.361 where: short stacking energy: -133.852 Base-Backbone interact. energy: -0.742 local terms energy: -222.098936 where: bonds (distance) C4'-P energy: -57.267 bonds (distance) P-C4' energy: -49.718 flat angles C4'-P-C4' energy: -59.132 flat angles P-C4'-P energy: -29.060 tors. eta vs tors. theta energy: -26.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -261.312986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.312986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.312986 (E_RNA) where: Base-Base interactions energy: -91.442 where: short stacking energy: -77.421 Base-Backbone interact. energy: 1.180 local terms energy: -171.051212 where: bonds (distance) C4'-P energy: -57.847 bonds (distance) P-C4' energy: -50.063 flat angles C4'-P-C4' energy: -57.819 flat angles P-C4'-P energy: -12.143 tors. eta vs tors. theta energy: 6.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1111.728968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.728968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.728968 (E_RNA) where: Base-Base interactions energy: -779.870 where: short stacking energy: -333.849 Base-Backbone interact. energy: 0.392 local terms energy: -332.250270 where: bonds (distance) C4'-P energy: -63.660 bonds (distance) P-C4' energy: -64.174 flat angles C4'-P-C4' energy: -69.849 flat angles P-C4'-P energy: -46.289 tors. eta vs tors. theta energy: -88.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1119.884078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.884078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.884078 (E_RNA) where: Base-Base interactions energy: -773.905 where: short stacking energy: -333.918 Base-Backbone interact. energy: -1.572 local terms energy: -344.406913 where: bonds (distance) C4'-P energy: -68.072 bonds (distance) P-C4' energy: -57.895 flat angles C4'-P-C4' energy: -73.032 flat angles P-C4'-P energy: -51.545 tors. eta vs tors. theta energy: -93.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1069.607934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.607934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.607934 (E_RNA) where: Base-Base interactions energy: -721.974 where: short stacking energy: -289.400 Base-Backbone interact. energy: -0.530 local terms energy: -347.103440 where: bonds (distance) C4'-P energy: -69.716 bonds (distance) P-C4' energy: -66.272 flat angles C4'-P-C4' energy: -73.904 flat angles P-C4'-P energy: -46.178 tors. eta vs tors. theta energy: -91.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -924.361930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.361930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.361930 (E_RNA) where: Base-Base interactions energy: -634.578 where: short stacking energy: -276.157 Base-Backbone interact. energy: -0.020 local terms energy: -289.764551 where: bonds (distance) C4'-P energy: -51.767 bonds (distance) P-C4' energy: -55.605 flat angles C4'-P-C4' energy: -68.891 flat angles P-C4'-P energy: -32.005 tors. eta vs tors. theta energy: -81.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -930.040900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.040900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.040900 (E_RNA) where: Base-Base interactions energy: -624.578 where: short stacking energy: -272.279 Base-Backbone interact. energy: -1.067 local terms energy: -304.396757 where: bonds (distance) C4'-P energy: -57.521 bonds (distance) P-C4' energy: -59.312 flat angles C4'-P-C4' energy: -60.424 flat angles P-C4'-P energy: -50.035 tors. eta vs tors. theta energy: -77.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -804.525130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.525130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.525130 (E_RNA) where: Base-Base interactions energy: -534.725 where: short stacking energy: -254.227 Base-Backbone interact. energy: -2.975 local terms energy: -266.824862 where: bonds (distance) C4'-P energy: -49.350 bonds (distance) P-C4' energy: -48.010 flat angles C4'-P-C4' energy: -64.823 flat angles P-C4'-P energy: -41.731 tors. eta vs tors. theta energy: -62.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -770.787916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.787916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.787916 (E_RNA) where: Base-Base interactions energy: -487.798 where: short stacking energy: -231.002 Base-Backbone interact. energy: 0.891 local terms energy: -283.881074 where: bonds (distance) C4'-P energy: -49.803 bonds (distance) P-C4' energy: -66.169 flat angles C4'-P-C4' energy: -58.241 flat angles P-C4'-P energy: -45.275 tors. eta vs tors. theta energy: -64.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -482.913190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.913190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.913190 (E_RNA) where: Base-Base interactions energy: -267.343 where: short stacking energy: -145.647 Base-Backbone interact. energy: 0.057 local terms energy: -215.626912 where: bonds (distance) C4'-P energy: -40.242 bonds (distance) P-C4' energy: -66.169 flat angles C4'-P-C4' energy: -46.341 flat angles P-C4'-P energy: -31.343 tors. eta vs tors. theta energy: -31.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -445.493835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.493835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.493835 (E_RNA) where: Base-Base interactions energy: -248.387 where: short stacking energy: -132.342 Base-Backbone interact. energy: 5.229 local terms energy: -202.336355 where: bonds (distance) C4'-P energy: -31.421 bonds (distance) P-C4' energy: -60.936 flat angles C4'-P-C4' energy: -57.336 flat angles P-C4'-P energy: -36.071 tors. eta vs tors. theta energy: -16.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -268.322042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.322042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.322042 (E_RNA) where: Base-Base interactions energy: -88.449 where: short stacking energy: -83.121 Base-Backbone interact. energy: -1.422 local terms energy: -178.451184 where: bonds (distance) C4'-P energy: -62.357 bonds (distance) P-C4' energy: -46.219 flat angles C4'-P-C4' energy: -36.767 flat angles P-C4'-P energy: -33.378 tors. eta vs tors. theta energy: 0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1098.052611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.052611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.052611 (E_RNA) where: Base-Base interactions energy: -753.256 where: short stacking energy: -304.809 Base-Backbone interact. energy: -2.088 local terms energy: -342.708973 where: bonds (distance) C4'-P energy: -62.665 bonds (distance) P-C4' energy: -68.966 flat angles C4'-P-C4' energy: -75.433 flat angles P-C4'-P energy: -48.843 tors. eta vs tors. theta energy: -86.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1108.285975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.285975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.285975 (E_RNA) where: Base-Base interactions energy: -768.195 where: short stacking energy: -320.754 Base-Backbone interact. energy: -2.685 local terms energy: -337.405683 where: bonds (distance) C4'-P energy: -56.123 bonds (distance) P-C4' energy: -63.294 flat angles C4'-P-C4' energy: -79.384 flat angles P-C4'-P energy: -43.358 tors. eta vs tors. theta energy: -95.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1051.764606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.764606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.764606 (E_RNA) where: Base-Base interactions energy: -730.633 where: short stacking energy: -289.819 Base-Backbone interact. energy: 0.606 local terms energy: -321.737908 where: bonds (distance) C4'-P energy: -55.063 bonds (distance) P-C4' energy: -63.682 flat angles C4'-P-C4' energy: -74.487 flat angles P-C4'-P energy: -41.252 tors. eta vs tors. theta energy: -87.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -928.184381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.184381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.184381 (E_RNA) where: Base-Base interactions energy: -617.884 where: short stacking energy: -274.743 Base-Backbone interact. energy: 0.104 local terms energy: -310.404128 where: bonds (distance) C4'-P energy: -63.201 bonds (distance) P-C4' energy: -60.557 flat angles C4'-P-C4' energy: -68.596 flat angles P-C4'-P energy: -40.651 tors. eta vs tors. theta energy: -77.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -918.217429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.217429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.217429 (E_RNA) where: Base-Base interactions energy: -612.624 where: short stacking energy: -265.601 Base-Backbone interact. energy: -2.867 local terms energy: -302.726468 where: bonds (distance) C4'-P energy: -49.847 bonds (distance) P-C4' energy: -56.993 flat angles C4'-P-C4' energy: -72.844 flat angles P-C4'-P energy: -43.160 tors. eta vs tors. theta energy: -79.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -829.270450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.270450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.270450 (E_RNA) where: Base-Base interactions energy: -552.420 where: short stacking energy: -256.810 Base-Backbone interact. energy: 2.166 local terms energy: -279.016999 where: bonds (distance) C4'-P energy: -54.336 bonds (distance) P-C4' energy: -56.106 flat angles C4'-P-C4' energy: -54.852 flat angles P-C4'-P energy: -42.585 tors. eta vs tors. theta energy: -71.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -754.917840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.917840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.917840 (E_RNA) where: Base-Base interactions energy: -488.775 where: short stacking energy: -241.744 Base-Backbone interact. energy: -1.174 local terms energy: -264.968893 where: bonds (distance) C4'-P energy: -49.175 bonds (distance) P-C4' energy: -54.774 flat angles C4'-P-C4' energy: -61.994 flat angles P-C4'-P energy: -35.439 tors. eta vs tors. theta energy: -63.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -452.706974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.706974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.706974 (E_RNA) where: Base-Base interactions energy: -239.027 where: short stacking energy: -129.182 Base-Backbone interact. energy: -2.195 local terms energy: -211.485729 where: bonds (distance) C4'-P energy: -53.568 bonds (distance) P-C4' energy: -55.689 flat angles C4'-P-C4' energy: -35.735 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -21.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -441.075528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.075528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.075528 (E_RNA) where: Base-Base interactions energy: -217.143 where: short stacking energy: -122.013 Base-Backbone interact. energy: -3.269 local terms energy: -220.664128 where: bonds (distance) C4'-P energy: -60.513 bonds (distance) P-C4' energy: -64.831 flat angles C4'-P-C4' energy: -58.408 flat angles P-C4'-P energy: -27.895 tors. eta vs tors. theta energy: -9.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -274.646158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.646158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.646158 (E_RNA) where: Base-Base interactions energy: -108.708 where: short stacking energy: -91.972 Base-Backbone interact. energy: 2.477 local terms energy: -168.414713 where: bonds (distance) C4'-P energy: -49.197 bonds (distance) P-C4' energy: -66.954 flat angles C4'-P-C4' energy: -28.513 flat angles P-C4'-P energy: -31.625 tors. eta vs tors. theta energy: 7.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1132.990217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.990217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.990217 (E_RNA) where: Base-Base interactions energy: -793.359 where: short stacking energy: -312.722 Base-Backbone interact. energy: -1.589 local terms energy: -338.041802 where: bonds (distance) C4'-P energy: -64.618 bonds (distance) P-C4' energy: -66.053 flat angles C4'-P-C4' energy: -71.877 flat angles P-C4'-P energy: -45.734 tors. eta vs tors. theta energy: -89.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1106.758887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.758887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.758887 (E_RNA) where: Base-Base interactions energy: -767.339 where: short stacking energy: -320.007 Base-Backbone interact. energy: -0.615 local terms energy: -338.804816 where: bonds (distance) C4'-P energy: -70.792 bonds (distance) P-C4' energy: -60.844 flat angles C4'-P-C4' energy: -68.765 flat angles P-C4'-P energy: -45.359 tors. eta vs tors. theta energy: -93.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1055.046599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.046599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.046599 (E_RNA) where: Base-Base interactions energy: -737.759 where: short stacking energy: -302.794 Base-Backbone interact. energy: -1.762 local terms energy: -315.525781 where: bonds (distance) C4'-P energy: -55.940 bonds (distance) P-C4' energy: -58.572 flat angles C4'-P-C4' energy: -66.433 flat angles P-C4'-P energy: -48.834 tors. eta vs tors. theta energy: -85.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -959.681287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.681287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.681287 (E_RNA) where: Base-Base interactions energy: -637.783 where: short stacking energy: -286.863 Base-Backbone interact. energy: -2.971 local terms energy: -318.927300 where: bonds (distance) C4'-P energy: -62.049 bonds (distance) P-C4' energy: -61.778 flat angles C4'-P-C4' energy: -64.241 flat angles P-C4'-P energy: -44.250 tors. eta vs tors. theta energy: -86.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -896.891537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.891537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.891537 (E_RNA) where: Base-Base interactions energy: -581.758 where: short stacking energy: -250.099 Base-Backbone interact. energy: -1.386 local terms energy: -313.747636 where: bonds (distance) C4'-P energy: -63.396 bonds (distance) P-C4' energy: -67.469 flat angles C4'-P-C4' energy: -67.668 flat angles P-C4'-P energy: -36.552 tors. eta vs tors. theta energy: -78.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -795.955384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.955384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.955384 (E_RNA) where: Base-Base interactions energy: -532.809 where: short stacking energy: -238.966 Base-Backbone interact. energy: 2.245 local terms energy: -265.391452 where: bonds (distance) C4'-P energy: -59.294 bonds (distance) P-C4' energy: -64.562 flat angles C4'-P-C4' energy: -49.944 flat angles P-C4'-P energy: -37.185 tors. eta vs tors. theta energy: -54.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -755.913748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.913748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.913748 (E_RNA) where: Base-Base interactions energy: -492.694 where: short stacking energy: -229.084 Base-Backbone interact. energy: -0.606 local terms energy: -262.613204 where: bonds (distance) C4'-P energy: -46.416 bonds (distance) P-C4' energy: -59.281 flat angles C4'-P-C4' energy: -71.958 flat angles P-C4'-P energy: -30.209 tors. eta vs tors. theta energy: -54.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -476.790979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.790979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.790979 (E_RNA) where: Base-Base interactions energy: -273.691 where: short stacking energy: -152.491 Base-Backbone interact. energy: 0.312 local terms energy: -203.411891 where: bonds (distance) C4'-P energy: -56.149 bonds (distance) P-C4' energy: -58.366 flat angles C4'-P-C4' energy: -50.251 flat angles P-C4'-P energy: -19.942 tors. eta vs tors. theta energy: -18.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -385.432406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.432406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.432406 (E_RNA) where: Base-Base interactions energy: -184.867 where: short stacking energy: -97.283 Base-Backbone interact. energy: 1.081 local terms energy: -201.646810 where: bonds (distance) C4'-P energy: -58.144 bonds (distance) P-C4' energy: -66.812 flat angles C4'-P-C4' energy: -39.464 flat angles P-C4'-P energy: -35.585 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -280.803709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.803709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.803709 (E_RNA) where: Base-Base interactions energy: -91.838 where: short stacking energy: -90.057 Base-Backbone interact. energy: 0.452 local terms energy: -189.417792 where: bonds (distance) C4'-P energy: -57.601 bonds (distance) P-C4' energy: -52.706 flat angles C4'-P-C4' energy: -44.836 flat angles P-C4'-P energy: -34.115 tors. eta vs tors. theta energy: -0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1119.698630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.698630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.698630 (E_RNA) where: Base-Base interactions energy: -785.691 where: short stacking energy: -311.989 Base-Backbone interact. energy: -2.287 local terms energy: -331.720766 where: bonds (distance) C4'-P energy: -59.426 bonds (distance) P-C4' energy: -70.358 flat angles C4'-P-C4' energy: -73.925 flat angles P-C4'-P energy: -41.970 tors. eta vs tors. theta energy: -86.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1118.618138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.618138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.618138 (E_RNA) where: Base-Base interactions energy: -776.444 where: short stacking energy: -315.540 Base-Backbone interact. energy: -0.602 local terms energy: -341.571835 where: bonds (distance) C4'-P energy: -66.202 bonds (distance) P-C4' energy: -59.772 flat angles C4'-P-C4' energy: -71.270 flat angles P-C4'-P energy: -51.103 tors. eta vs tors. theta energy: -93.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1058.484918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.484918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.484918 (E_RNA) where: Base-Base interactions energy: -729.847 where: short stacking energy: -306.202 Base-Backbone interact. energy: -1.199 local terms energy: -327.439517 where: bonds (distance) C4'-P energy: -57.810 bonds (distance) P-C4' energy: -71.615 flat angles C4'-P-C4' energy: -66.620 flat angles P-C4'-P energy: -46.846 tors. eta vs tors. theta energy: -84.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -973.592636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.592636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.592636 (E_RNA) where: Base-Base interactions energy: -638.269 where: short stacking energy: -287.268 Base-Backbone interact. energy: -1.413 local terms energy: -333.910456 where: bonds (distance) C4'-P energy: -62.163 bonds (distance) P-C4' energy: -69.190 flat angles C4'-P-C4' energy: -67.731 flat angles P-C4'-P energy: -50.873 tors. eta vs tors. theta energy: -83.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -939.898969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.898969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.898969 (E_RNA) where: Base-Base interactions energy: -630.137 where: short stacking energy: -282.097 Base-Backbone interact. energy: 0.614 local terms energy: -310.375618 where: bonds (distance) C4'-P energy: -50.868 bonds (distance) P-C4' energy: -64.159 flat angles C4'-P-C4' energy: -63.711 flat angles P-C4'-P energy: -38.708 tors. eta vs tors. theta energy: -92.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -807.586307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.586307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.586307 (E_RNA) where: Base-Base interactions energy: -550.306 where: short stacking energy: -240.021 Base-Backbone interact. energy: -2.690 local terms energy: -254.590649 where: bonds (distance) C4'-P energy: -51.910 bonds (distance) P-C4' energy: -50.280 flat angles C4'-P-C4' energy: -53.231 flat angles P-C4'-P energy: -47.036 tors. eta vs tors. theta energy: -52.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -737.359006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.359006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.359006 (E_RNA) where: Base-Base interactions energy: -474.852 where: short stacking energy: -219.665 Base-Backbone interact. energy: -1.093 local terms energy: -261.414038 where: bonds (distance) C4'-P energy: -52.526 bonds (distance) P-C4' energy: -55.687 flat angles C4'-P-C4' energy: -58.770 flat angles P-C4'-P energy: -45.059 tors. eta vs tors. theta energy: -49.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -460.626797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.626797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.626797 (E_RNA) where: Base-Base interactions energy: -238.529 where: short stacking energy: -142.600 Base-Backbone interact. energy: 1.857 local terms energy: -223.954907 where: bonds (distance) C4'-P energy: -62.239 bonds (distance) P-C4' energy: -55.623 flat angles C4'-P-C4' energy: -51.803 flat angles P-C4'-P energy: -36.156 tors. eta vs tors. theta energy: -18.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -340.455668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.455668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.455668 (E_RNA) where: Base-Base interactions energy: -151.184 where: short stacking energy: -106.238 Base-Backbone interact. energy: -0.396 local terms energy: -188.875335 where: bonds (distance) C4'-P energy: -53.737 bonds (distance) P-C4' energy: -60.752 flat angles C4'-P-C4' energy: -44.146 flat angles P-C4'-P energy: -32.780 tors. eta vs tors. theta energy: 2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -305.417228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.417228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.417228 (E_RNA) where: Base-Base interactions energy: -117.981 where: short stacking energy: -111.690 Base-Backbone interact. energy: -1.416 local terms energy: -186.020982 where: bonds (distance) C4'-P energy: -53.127 bonds (distance) P-C4' energy: -43.994 flat angles C4'-P-C4' energy: -56.800 flat angles P-C4'-P energy: -26.102 tors. eta vs tors. theta energy: -5.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1126.353865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.353865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.353865 (E_RNA) where: Base-Base interactions energy: -791.505 where: short stacking energy: -318.056 Base-Backbone interact. energy: -0.777 local terms energy: -334.071510 where: bonds (distance) C4'-P energy: -64.705 bonds (distance) P-C4' energy: -63.762 flat angles C4'-P-C4' energy: -67.294 flat angles P-C4'-P energy: -44.081 tors. eta vs tors. theta energy: -94.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1105.352757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.352757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.352757 (E_RNA) where: Base-Base interactions energy: -766.341 where: short stacking energy: -331.190 Base-Backbone interact. energy: -1.480 local terms energy: -337.532237 where: bonds (distance) C4'-P energy: -63.767 bonds (distance) P-C4' energy: -69.193 flat angles C4'-P-C4' energy: -67.799 flat angles P-C4'-P energy: -41.523 tors. eta vs tors. theta energy: -95.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1072.658415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.658415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.658415 (E_RNA) where: Base-Base interactions energy: -736.320 where: short stacking energy: -302.410 Base-Backbone interact. energy: 1.718 local terms energy: -338.056131 where: bonds (distance) C4'-P energy: -68.594 bonds (distance) P-C4' energy: -68.999 flat angles C4'-P-C4' energy: -71.121 flat angles P-C4'-P energy: -37.588 tors. eta vs tors. theta energy: -91.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -980.442861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.442861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.442861 (E_RNA) where: Base-Base interactions energy: -649.591 where: short stacking energy: -294.482 Base-Backbone interact. energy: 1.383 local terms energy: -332.234143 where: bonds (distance) C4'-P energy: -55.962 bonds (distance) P-C4' energy: -66.576 flat angles C4'-P-C4' energy: -70.024 flat angles P-C4'-P energy: -56.382 tors. eta vs tors. theta energy: -83.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -915.084795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.084795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.084795 (E_RNA) where: Base-Base interactions energy: -617.520 where: short stacking energy: -250.102 Base-Backbone interact. energy: -0.731 local terms energy: -296.833812 where: bonds (distance) C4'-P energy: -54.914 bonds (distance) P-C4' energy: -54.824 flat angles C4'-P-C4' energy: -66.091 flat angles P-C4'-P energy: -46.430 tors. eta vs tors. theta energy: -74.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -800.959343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.959343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.959343 (E_RNA) where: Base-Base interactions energy: -511.358 where: short stacking energy: -251.177 Base-Backbone interact. energy: 2.355 local terms energy: -291.955442 where: bonds (distance) C4'-P energy: -58.806 bonds (distance) P-C4' energy: -60.845 flat angles C4'-P-C4' energy: -65.659 flat angles P-C4'-P energy: -41.964 tors. eta vs tors. theta energy: -64.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -745.264568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.264568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.264568 (E_RNA) where: Base-Base interactions energy: -483.684 where: short stacking energy: -211.189 Base-Backbone interact. energy: -2.171 local terms energy: -259.408665 where: bonds (distance) C4'-P energy: -52.016 bonds (distance) P-C4' energy: -65.850 flat angles C4'-P-C4' energy: -49.785 flat angles P-C4'-P energy: -41.906 tors. eta vs tors. theta energy: -49.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -498.075390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.075390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.075390 (E_RNA) where: Base-Base interactions energy: -253.188 where: short stacking energy: -167.738 Base-Backbone interact. energy: 0.456 local terms energy: -245.343608 where: bonds (distance) C4'-P energy: -46.375 bonds (distance) P-C4' energy: -58.609 flat angles C4'-P-C4' energy: -60.590 flat angles P-C4'-P energy: -37.322 tors. eta vs tors. theta energy: -42.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -362.070093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.070093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.070093 (E_RNA) where: Base-Base interactions energy: -166.908 where: short stacking energy: -95.692 Base-Backbone interact. energy: -0.113 local terms energy: -195.049189 where: bonds (distance) C4'-P energy: -50.195 bonds (distance) P-C4' energy: -52.201 flat angles C4'-P-C4' energy: -58.404 flat angles P-C4'-P energy: -29.493 tors. eta vs tors. theta energy: -4.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -258.227724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.227724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.227724 (E_RNA) where: Base-Base interactions energy: -85.735 where: short stacking energy: -72.528 Base-Backbone interact. energy: 3.208 local terms energy: -175.701525 where: bonds (distance) C4'-P energy: -51.270 bonds (distance) P-C4' energy: -64.009 flat angles C4'-P-C4' energy: -50.207 flat angles P-C4'-P energy: -19.672 tors. eta vs tors. theta energy: 9.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1130.481962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.481962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.481962 (E_RNA) where: Base-Base interactions energy: -799.262 where: short stacking energy: -341.767 Base-Backbone interact. energy: -1.601 local terms energy: -329.618297 where: bonds (distance) C4'-P energy: -51.113 bonds (distance) P-C4' energy: -59.665 flat angles C4'-P-C4' energy: -75.031 flat angles P-C4'-P energy: -47.701 tors. eta vs tors. theta energy: -96.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1098.814537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.814537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.814537 (E_RNA) where: Base-Base interactions energy: -778.515 where: short stacking energy: -292.848 Base-Backbone interact. energy: -1.739 local terms energy: -318.560286 where: bonds (distance) C4'-P energy: -68.638 bonds (distance) P-C4' energy: -55.092 flat angles C4'-P-C4' energy: -58.118 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -89.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1051.891020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.891020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.891020 (E_RNA) where: Base-Base interactions energy: -729.936 where: short stacking energy: -284.057 Base-Backbone interact. energy: 3.341 local terms energy: -325.296698 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -60.797 flat angles C4'-P-C4' energy: -73.182 flat angles P-C4'-P energy: -43.300 tors. eta vs tors. theta energy: -86.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -936.791026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.791026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.791026 (E_RNA) where: Base-Base interactions energy: -626.286 where: short stacking energy: -275.358 Base-Backbone interact. energy: -1.716 local terms energy: -308.789297 where: bonds (distance) C4'-P energy: -66.605 bonds (distance) P-C4' energy: -58.138 flat angles C4'-P-C4' energy: -57.874 flat angles P-C4'-P energy: -39.223 tors. eta vs tors. theta energy: -86.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -911.574606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.574606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.574606 (E_RNA) where: Base-Base interactions energy: -620.838 where: short stacking energy: -254.256 Base-Backbone interact. energy: -2.471 local terms energy: -288.265418 where: bonds (distance) C4'-P energy: -45.692 bonds (distance) P-C4' energy: -57.310 flat angles C4'-P-C4' energy: -72.035 flat angles P-C4'-P energy: -39.139 tors. eta vs tors. theta energy: -74.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -782.107563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.107563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.107563 (E_RNA) where: Base-Base interactions energy: -514.415 where: short stacking energy: -230.783 Base-Backbone interact. energy: -1.375 local terms energy: -266.317432 where: bonds (distance) C4'-P energy: -55.926 bonds (distance) P-C4' energy: -58.627 flat angles C4'-P-C4' energy: -62.909 flat angles P-C4'-P energy: -32.208 tors. eta vs tors. theta energy: -56.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -740.948645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.948645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.948645 (E_RNA) where: Base-Base interactions energy: -488.046 where: short stacking energy: -217.696 Base-Backbone interact. energy: -0.801 local terms energy: -252.100898 where: bonds (distance) C4'-P energy: -55.969 bonds (distance) P-C4' energy: -50.964 flat angles C4'-P-C4' energy: -56.878 flat angles P-C4'-P energy: -36.074 tors. eta vs tors. theta energy: -52.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -489.206426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.206426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.206426 (E_RNA) where: Base-Base interactions energy: -268.659 where: short stacking energy: -168.281 Base-Backbone interact. energy: -2.880 local terms energy: -217.666836 where: bonds (distance) C4'-P energy: -62.098 bonds (distance) P-C4' energy: -47.012 flat angles C4'-P-C4' energy: -45.294 flat angles P-C4'-P energy: -30.644 tors. eta vs tors. theta energy: -32.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -366.058844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.058844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.058844 (E_RNA) where: Base-Base interactions energy: -176.581 where: short stacking energy: -92.480 Base-Backbone interact. energy: -2.264 local terms energy: -187.213674 where: bonds (distance) C4'-P energy: -42.589 bonds (distance) P-C4' energy: -58.084 flat angles C4'-P-C4' energy: -50.628 flat angles P-C4'-P energy: -38.784 tors. eta vs tors. theta energy: 2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -298.358247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.358247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.358247 (E_RNA) where: Base-Base interactions energy: -144.430 where: short stacking energy: -90.880 Base-Backbone interact. energy: -0.521 local terms energy: -153.407709 where: bonds (distance) C4'-P energy: -48.852 bonds (distance) P-C4' energy: -44.374 flat angles C4'-P-C4' energy: -42.322 flat angles P-C4'-P energy: -18.692 tors. eta vs tors. theta energy: 0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1127.096357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.096357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.096357 (E_RNA) where: Base-Base interactions energy: -788.291 where: short stacking energy: -340.150 Base-Backbone interact. energy: -1.769 local terms energy: -337.036273 where: bonds (distance) C4'-P energy: -60.262 bonds (distance) P-C4' energy: -58.048 flat angles C4'-P-C4' energy: -73.832 flat angles P-C4'-P energy: -48.726 tors. eta vs tors. theta energy: -96.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1109.316506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.316506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.316506 (E_RNA) where: Base-Base interactions energy: -793.787 where: short stacking energy: -319.065 Base-Backbone interact. energy: 0.730 local terms energy: -316.260240 where: bonds (distance) C4'-P energy: -61.935 bonds (distance) P-C4' energy: -49.332 flat angles C4'-P-C4' energy: -70.875 flat angles P-C4'-P energy: -45.543 tors. eta vs tors. theta energy: -88.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1054.556395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.556395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.556395 (E_RNA) where: Base-Base interactions energy: -723.933 where: short stacking energy: -311.850 Base-Backbone interact. energy: -0.742 local terms energy: -329.881796 where: bonds (distance) C4'-P energy: -64.374 bonds (distance) P-C4' energy: -65.735 flat angles C4'-P-C4' energy: -72.320 flat angles P-C4'-P energy: -38.648 tors. eta vs tors. theta energy: -88.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -945.721007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.721007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.721007 (E_RNA) where: Base-Base interactions energy: -620.102 where: short stacking energy: -309.668 Base-Backbone interact. energy: -1.670 local terms energy: -323.949267 where: bonds (distance) C4'-P energy: -64.222 bonds (distance) P-C4' energy: -63.822 flat angles C4'-P-C4' energy: -66.190 flat angles P-C4'-P energy: -39.417 tors. eta vs tors. theta energy: -90.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -875.101305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.101305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.101305 (E_RNA) where: Base-Base interactions energy: -571.589 where: short stacking energy: -243.459 Base-Backbone interact. energy: -0.314 local terms energy: -303.197826 where: bonds (distance) C4'-P energy: -59.731 bonds (distance) P-C4' energy: -64.808 flat angles C4'-P-C4' energy: -54.668 flat angles P-C4'-P energy: -45.644 tors. eta vs tors. theta energy: -78.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -749.574079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.574079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.574079 (E_RNA) where: Base-Base interactions energy: -456.873 where: short stacking energy: -215.436 Base-Backbone interact. energy: -0.877 local terms energy: -291.823892 where: bonds (distance) C4'-P energy: -55.488 bonds (distance) P-C4' energy: -65.902 flat angles C4'-P-C4' energy: -66.263 flat angles P-C4'-P energy: -47.690 tors. eta vs tors. theta energy: -56.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -694.196637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.196637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.196637 (E_RNA) where: Base-Base interactions energy: -420.645 where: short stacking energy: -190.058 Base-Backbone interact. energy: -1.498 local terms energy: -272.053510 where: bonds (distance) C4'-P energy: -56.670 bonds (distance) P-C4' energy: -54.853 flat angles C4'-P-C4' energy: -57.358 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -54.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -449.043968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.043968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.043968 (E_RNA) where: Base-Base interactions energy: -222.172 where: short stacking energy: -119.224 Base-Backbone interact. energy: -2.242 local terms energy: -224.630282 where: bonds (distance) C4'-P energy: -61.506 bonds (distance) P-C4' energy: -57.554 flat angles C4'-P-C4' energy: -64.488 flat angles P-C4'-P energy: -34.096 tors. eta vs tors. theta energy: -6.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -373.213923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.213923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.213923 (E_RNA) where: Base-Base interactions energy: -163.214 where: short stacking energy: -117.123 Base-Backbone interact. energy: -0.498 local terms energy: -209.502233 where: bonds (distance) C4'-P energy: -44.141 bonds (distance) P-C4' energy: -65.364 flat angles C4'-P-C4' energy: -55.618 flat angles P-C4'-P energy: -27.242 tors. eta vs tors. theta energy: -17.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -312.582612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.582612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.582612 (E_RNA) where: Base-Base interactions energy: -144.140 where: short stacking energy: -90.864 Base-Backbone interact. energy: 1.367 local terms energy: -169.809486 where: bonds (distance) C4'-P energy: -51.389 bonds (distance) P-C4' energy: -51.293 flat angles C4'-P-C4' energy: -50.330 flat angles P-C4'-P energy: -27.214 tors. eta vs tors. theta energy: 10.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1132.573381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.573381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.573381 (E_RNA) where: Base-Base interactions energy: -793.535 where: short stacking energy: -339.390 Base-Backbone interact. energy: -0.719 local terms energy: -338.319557 where: bonds (distance) C4'-P energy: -64.102 bonds (distance) P-C4' energy: -64.593 flat angles C4'-P-C4' energy: -67.607 flat angles P-C4'-P energy: -49.525 tors. eta vs tors. theta energy: -92.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1120.034570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.034570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.034570 (E_RNA) where: Base-Base interactions energy: -779.419 where: short stacking energy: -334.459 Base-Backbone interact. energy: -1.076 local terms energy: -339.539386 where: bonds (distance) C4'-P energy: -61.613 bonds (distance) P-C4' energy: -68.944 flat angles C4'-P-C4' energy: -71.332 flat angles P-C4'-P energy: -47.469 tors. eta vs tors. theta energy: -90.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1053.300320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.300320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.300320 (E_RNA) where: Base-Base interactions energy: -714.824 where: short stacking energy: -296.302 Base-Backbone interact. energy: -0.414 local terms energy: -338.062787 where: bonds (distance) C4'-P energy: -62.398 bonds (distance) P-C4' energy: -73.005 flat angles C4'-P-C4' energy: -67.760 flat angles P-C4'-P energy: -55.112 tors. eta vs tors. theta energy: -79.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -979.246036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.246036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.246036 (E_RNA) where: Base-Base interactions energy: -666.164 where: short stacking energy: -305.466 Base-Backbone interact. energy: 0.048 local terms energy: -313.130035 where: bonds (distance) C4'-P energy: -58.929 bonds (distance) P-C4' energy: -60.430 flat angles C4'-P-C4' energy: -63.964 flat angles P-C4'-P energy: -39.060 tors. eta vs tors. theta energy: -90.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -903.706603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.706603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.706603 (E_RNA) where: Base-Base interactions energy: -608.418 where: short stacking energy: -257.709 Base-Backbone interact. energy: 1.167 local terms energy: -296.455500 where: bonds (distance) C4'-P energy: -71.409 bonds (distance) P-C4' energy: -62.864 flat angles C4'-P-C4' energy: -53.707 flat angles P-C4'-P energy: -33.664 tors. eta vs tors. theta energy: -74.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -757.302541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.302541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.302541 (E_RNA) where: Base-Base interactions energy: -480.575 where: short stacking energy: -214.167 Base-Backbone interact. energy: -1.910 local terms energy: -274.817792 where: bonds (distance) C4'-P energy: -54.690 bonds (distance) P-C4' energy: -57.849 flat angles C4'-P-C4' energy: -73.101 flat angles P-C4'-P energy: -37.452 tors. eta vs tors. theta energy: -51.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -720.183091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.183091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.183091 (E_RNA) where: Base-Base interactions energy: -461.766 where: short stacking energy: -210.154 Base-Backbone interact. energy: -0.450 local terms energy: -257.967366 where: bonds (distance) C4'-P energy: -50.407 bonds (distance) P-C4' energy: -61.338 flat angles C4'-P-C4' energy: -59.277 flat angles P-C4'-P energy: -46.184 tors. eta vs tors. theta energy: -40.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -502.181290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.181290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.181290 (E_RNA) where: Base-Base interactions energy: -277.552 where: short stacking energy: -155.666 Base-Backbone interact. energy: -2.257 local terms energy: -222.372442 where: bonds (distance) C4'-P energy: -64.931 bonds (distance) P-C4' energy: -55.089 flat angles C4'-P-C4' energy: -51.638 flat angles P-C4'-P energy: -27.382 tors. eta vs tors. theta energy: -23.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -435.429046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.429046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.429046 (E_RNA) where: Base-Base interactions energy: -218.516 where: short stacking energy: -117.299 Base-Backbone interact. energy: -0.943 local terms energy: -215.970433 where: bonds (distance) C4'-P energy: -45.130 bonds (distance) P-C4' energy: -63.622 flat angles C4'-P-C4' energy: -48.153 flat angles P-C4'-P energy: -42.989 tors. eta vs tors. theta energy: -16.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -335.481819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.481819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.481819 (E_RNA) where: Base-Base interactions energy: -165.060 where: short stacking energy: -105.019 Base-Backbone interact. energy: 0.336 local terms energy: -170.757647 where: bonds (distance) C4'-P energy: -52.808 bonds (distance) P-C4' energy: -46.754 flat angles C4'-P-C4' energy: -56.178 flat angles P-C4'-P energy: -23.441 tors. eta vs tors. theta energy: 8.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1145.150375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.150375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.150375 (E_RNA) where: Base-Base interactions energy: -797.990 where: short stacking energy: -330.472 Base-Backbone interact. energy: 0.006 local terms energy: -347.166613 where: bonds (distance) C4'-P energy: -65.499 bonds (distance) P-C4' energy: -61.158 flat angles C4'-P-C4' energy: -72.546 flat angles P-C4'-P energy: -48.134 tors. eta vs tors. theta energy: -99.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1102.214509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.214509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.214509 (E_RNA) where: Base-Base interactions energy: -782.453 where: short stacking energy: -317.929 Base-Backbone interact. energy: -2.199 local terms energy: -317.562473 where: bonds (distance) C4'-P energy: -55.796 bonds (distance) P-C4' energy: -57.887 flat angles C4'-P-C4' energy: -78.312 flat angles P-C4'-P energy: -36.419 tors. eta vs tors. theta energy: -89.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1069.026729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.026729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.026729 (E_RNA) where: Base-Base interactions energy: -746.065 where: short stacking energy: -292.453 Base-Backbone interact. energy: -1.156 local terms energy: -321.805419 where: bonds (distance) C4'-P energy: -58.372 bonds (distance) P-C4' energy: -54.113 flat angles C4'-P-C4' energy: -77.377 flat angles P-C4'-P energy: -51.147 tors. eta vs tors. theta energy: -80.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -950.866782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.866782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.866782 (E_RNA) where: Base-Base interactions energy: -646.944 where: short stacking energy: -287.932 Base-Backbone interact. energy: -0.522 local terms energy: -303.401248 where: bonds (distance) C4'-P energy: -59.906 bonds (distance) P-C4' energy: -61.488 flat angles C4'-P-C4' energy: -63.222 flat angles P-C4'-P energy: -34.759 tors. eta vs tors. theta energy: -84.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -924.304739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.304739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.304739 (E_RNA) where: Base-Base interactions energy: -631.080 where: short stacking energy: -270.127 Base-Backbone interact. energy: -1.823 local terms energy: -291.401660 where: bonds (distance) C4'-P energy: -57.418 bonds (distance) P-C4' energy: -62.149 flat angles C4'-P-C4' energy: -54.574 flat angles P-C4'-P energy: -38.657 tors. eta vs tors. theta energy: -78.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -775.522368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.522368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.522368 (E_RNA) where: Base-Base interactions energy: -500.042 where: short stacking energy: -239.813 Base-Backbone interact. energy: -2.067 local terms energy: -273.414143 where: bonds (distance) C4'-P energy: -56.709 bonds (distance) P-C4' energy: -49.704 flat angles C4'-P-C4' energy: -67.211 flat angles P-C4'-P energy: -35.870 tors. eta vs tors. theta energy: -63.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -763.210462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.210462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.210462 (E_RNA) where: Base-Base interactions energy: -491.484 where: short stacking energy: -243.833 Base-Backbone interact. energy: -2.425 local terms energy: -269.301265 where: bonds (distance) C4'-P energy: -49.601 bonds (distance) P-C4' energy: -60.338 flat angles C4'-P-C4' energy: -61.873 flat angles P-C4'-P energy: -36.792 tors. eta vs tors. theta energy: -60.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -473.211085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.211085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.211085 (E_RNA) where: Base-Base interactions energy: -246.097 where: short stacking energy: -130.742 Base-Backbone interact. energy: 0.264 local terms energy: -227.378361 where: bonds (distance) C4'-P energy: -53.644 bonds (distance) P-C4' energy: -63.253 flat angles C4'-P-C4' energy: -56.686 flat angles P-C4'-P energy: -30.290 tors. eta vs tors. theta energy: -23.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -466.614740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.614740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.614740 (E_RNA) where: Base-Base interactions energy: -266.674 where: short stacking energy: -134.063 Base-Backbone interact. energy: -1.631 local terms energy: -198.309473 where: bonds (distance) C4'-P energy: -44.056 bonds (distance) P-C4' energy: -59.469 flat angles C4'-P-C4' energy: -45.798 flat angles P-C4'-P energy: -25.137 tors. eta vs tors. theta energy: -23.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -336.817444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.817444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.817444 (E_RNA) where: Base-Base interactions energy: -151.975 where: short stacking energy: -103.034 Base-Backbone interact. energy: 2.199 local terms energy: -187.040684 where: bonds (distance) C4'-P energy: -61.623 bonds (distance) P-C4' energy: -53.993 flat angles C4'-P-C4' energy: -46.398 flat angles P-C4'-P energy: -30.350 tors. eta vs tors. theta energy: 5.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1144.436256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.436256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.436256 (E_RNA) where: Base-Base interactions energy: -798.496 where: short stacking energy: -330.554 Base-Backbone interact. energy: -1.951 local terms energy: -343.989661 where: bonds (distance) C4'-P energy: -62.620 bonds (distance) P-C4' energy: -64.998 flat angles C4'-P-C4' energy: -64.610 flat angles P-C4'-P energy: -50.844 tors. eta vs tors. theta energy: -100.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1084.213776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.213776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.213776 (E_RNA) where: Base-Base interactions energy: -743.565 where: short stacking energy: -296.158 Base-Backbone interact. energy: -2.169 local terms energy: -338.478973 where: bonds (distance) C4'-P energy: -63.838 bonds (distance) P-C4' energy: -68.527 flat angles C4'-P-C4' energy: -73.471 flat angles P-C4'-P energy: -48.116 tors. eta vs tors. theta energy: -84.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1072.105361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.105361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.105361 (E_RNA) where: Base-Base interactions energy: -754.290 where: short stacking energy: -289.301 Base-Backbone interact. energy: -0.236 local terms energy: -317.579185 where: bonds (distance) C4'-P energy: -55.094 bonds (distance) P-C4' energy: -60.677 flat angles C4'-P-C4' energy: -73.124 flat angles P-C4'-P energy: -51.017 tors. eta vs tors. theta energy: -77.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -938.900486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.900486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.900486 (E_RNA) where: Base-Base interactions energy: -633.441 where: short stacking energy: -265.807 Base-Backbone interact. energy: -0.658 local terms energy: -304.802112 where: bonds (distance) C4'-P energy: -58.205 bonds (distance) P-C4' energy: -47.710 flat angles C4'-P-C4' energy: -66.957 flat angles P-C4'-P energy: -44.309 tors. eta vs tors. theta energy: -87.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -926.549572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.549572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.549572 (E_RNA) where: Base-Base interactions energy: -630.334 where: short stacking energy: -274.761 Base-Backbone interact. energy: -1.011 local terms energy: -295.204805 where: bonds (distance) C4'-P energy: -59.151 bonds (distance) P-C4' energy: -61.452 flat angles C4'-P-C4' energy: -63.022 flat angles P-C4'-P energy: -33.361 tors. eta vs tors. theta energy: -78.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -793.020920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.020920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.020920 (E_RNA) where: Base-Base interactions energy: -509.000 where: short stacking energy: -245.302 Base-Backbone interact. energy: -1.435 local terms energy: -282.586267 where: bonds (distance) C4'-P energy: -50.503 bonds (distance) P-C4' energy: -68.987 flat angles C4'-P-C4' energy: -51.797 flat angles P-C4'-P energy: -52.279 tors. eta vs tors. theta energy: -59.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -749.500666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.500666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.500666 (E_RNA) where: Base-Base interactions energy: -481.398 where: short stacking energy: -223.525 Base-Backbone interact. energy: -0.501 local terms energy: -267.601882 where: bonds (distance) C4'-P energy: -63.000 bonds (distance) P-C4' energy: -47.697 flat angles C4'-P-C4' energy: -48.255 flat angles P-C4'-P energy: -42.745 tors. eta vs tors. theta energy: -65.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -445.491061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.491061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.491061 (E_RNA) where: Base-Base interactions energy: -232.656 where: short stacking energy: -127.239 Base-Backbone interact. energy: -0.989 local terms energy: -211.846232 where: bonds (distance) C4'-P energy: -50.461 bonds (distance) P-C4' energy: -65.835 flat angles C4'-P-C4' energy: -57.233 flat angles P-C4'-P energy: -23.799 tors. eta vs tors. theta energy: -14.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -498.755461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.755461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.755461 (E_RNA) where: Base-Base interactions energy: -311.705 where: short stacking energy: -156.159 Base-Backbone interact. energy: -1.920 local terms energy: -185.130531 where: bonds (distance) C4'-P energy: -42.036 bonds (distance) P-C4' energy: -59.314 flat angles C4'-P-C4' energy: -41.940 flat angles P-C4'-P energy: -17.751 tors. eta vs tors. theta energy: -24.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -323.165727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.165727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.165727 (E_RNA) where: Base-Base interactions energy: -132.575 where: short stacking energy: -77.013 Base-Backbone interact. energy: 1.541 local terms energy: -192.131886 where: bonds (distance) C4'-P energy: -59.482 bonds (distance) P-C4' energy: -62.833 flat angles C4'-P-C4' energy: -46.098 flat angles P-C4'-P energy: -34.441 tors. eta vs tors. theta energy: 10.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1137.365822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.365822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.365822 (E_RNA) where: Base-Base interactions energy: -789.223 where: short stacking energy: -328.755 Base-Backbone interact. energy: -2.099 local terms energy: -346.043851 where: bonds (distance) C4'-P energy: -64.436 bonds (distance) P-C4' energy: -70.064 flat angles C4'-P-C4' energy: -68.168 flat angles P-C4'-P energy: -46.371 tors. eta vs tors. theta energy: -97.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1095.908622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.908622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.908622 (E_RNA) where: Base-Base interactions energy: -762.332 where: short stacking energy: -294.957 Base-Backbone interact. energy: 0.429 local terms energy: -334.005747 where: bonds (distance) C4'-P energy: -61.365 bonds (distance) P-C4' energy: -63.261 flat angles C4'-P-C4' energy: -72.244 flat angles P-C4'-P energy: -51.107 tors. eta vs tors. theta energy: -86.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1051.322012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.322012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.322012 (E_RNA) where: Base-Base interactions energy: -760.371 where: short stacking energy: -298.013 Base-Backbone interact. energy: 0.985 local terms energy: -291.935794 where: bonds (distance) C4'-P energy: -52.511 bonds (distance) P-C4' energy: -59.948 flat angles C4'-P-C4' energy: -65.300 flat angles P-C4'-P energy: -41.100 tors. eta vs tors. theta energy: -73.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -933.808239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.808239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.808239 (E_RNA) where: Base-Base interactions energy: -617.803 where: short stacking energy: -250.088 Base-Backbone interact. energy: -0.241 local terms energy: -315.764335 where: bonds (distance) C4'-P energy: -62.158 bonds (distance) P-C4' energy: -68.983 flat angles C4'-P-C4' energy: -64.193 flat angles P-C4'-P energy: -44.989 tors. eta vs tors. theta energy: -75.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -915.638434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.638434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.638434 (E_RNA) where: Base-Base interactions energy: -607.695 where: short stacking energy: -275.410 Base-Backbone interact. energy: -1.811 local terms energy: -306.132769 where: bonds (distance) C4'-P energy: -63.371 bonds (distance) P-C4' energy: -62.536 flat angles C4'-P-C4' energy: -65.503 flat angles P-C4'-P energy: -33.965 tors. eta vs tors. theta energy: -80.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -812.684972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.684972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.684972 (E_RNA) where: Base-Base interactions energy: -517.916 where: short stacking energy: -239.427 Base-Backbone interact. energy: -1.217 local terms energy: -293.552094 where: bonds (distance) C4'-P energy: -51.396 bonds (distance) P-C4' energy: -62.103 flat angles C4'-P-C4' energy: -62.626 flat angles P-C4'-P energy: -46.459 tors. eta vs tors. theta energy: -70.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -769.757915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.757915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.757915 (E_RNA) where: Base-Base interactions energy: -520.570 where: short stacking energy: -242.886 Base-Backbone interact. energy: -1.176 local terms energy: -248.012104 where: bonds (distance) C4'-P energy: -52.822 bonds (distance) P-C4' energy: -51.154 flat angles C4'-P-C4' energy: -50.756 flat angles P-C4'-P energy: -30.712 tors. eta vs tors. theta energy: -62.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -529.446105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.446105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.446105 (E_RNA) where: Base-Base interactions energy: -298.999 where: short stacking energy: -154.923 Base-Backbone interact. energy: 1.410 local terms energy: -231.857415 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -53.611 flat angles C4'-P-C4' energy: -52.730 flat angles P-C4'-P energy: -37.465 tors. eta vs tors. theta energy: -27.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -423.721872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.721872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.721872 (E_RNA) where: Base-Base interactions energy: -231.064 where: short stacking energy: -138.741 Base-Backbone interact. energy: -1.120 local terms energy: -191.537529 where: bonds (distance) C4'-P energy: -50.319 bonds (distance) P-C4' energy: -57.821 flat angles C4'-P-C4' energy: -49.044 flat angles P-C4'-P energy: -27.362 tors. eta vs tors. theta energy: -6.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -349.723876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.723876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.723876 (E_RNA) where: Base-Base interactions energy: -170.518 where: short stacking energy: -85.696 Base-Backbone interact. energy: -1.675 local terms energy: -177.530353 where: bonds (distance) C4'-P energy: -44.834 bonds (distance) P-C4' energy: -64.061 flat angles C4'-P-C4' energy: -43.556 flat angles P-C4'-P energy: -15.526 tors. eta vs tors. theta energy: -9.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1130.741973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.741973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.741973 (E_RNA) where: Base-Base interactions energy: -773.821 where: short stacking energy: -322.121 Base-Backbone interact. energy: -0.457 local terms energy: -356.463685 where: bonds (distance) C4'-P energy: -69.704 bonds (distance) P-C4' energy: -65.060 flat angles C4'-P-C4' energy: -72.685 flat angles P-C4'-P energy: -50.904 tors. eta vs tors. theta energy: -98.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1105.638811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.638811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.638811 (E_RNA) where: Base-Base interactions energy: -764.117 where: short stacking energy: -298.870 Base-Backbone interact. energy: -2.907 local terms energy: -338.615285 where: bonds (distance) C4'-P energy: -67.103 bonds (distance) P-C4' energy: -59.821 flat angles C4'-P-C4' energy: -76.505 flat angles P-C4'-P energy: -47.165 tors. eta vs tors. theta energy: -88.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1035.923160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.923160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.923160 (E_RNA) where: Base-Base interactions energy: -730.499 where: short stacking energy: -284.357 Base-Backbone interact. energy: -1.463 local terms energy: -303.961134 where: bonds (distance) C4'-P energy: -57.776 bonds (distance) P-C4' energy: -56.450 flat angles C4'-P-C4' energy: -71.336 flat angles P-C4'-P energy: -46.318 tors. eta vs tors. theta energy: -72.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -947.457254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.457254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.457254 (E_RNA) where: Base-Base interactions energy: -643.120 where: short stacking energy: -279.495 Base-Backbone interact. energy: -0.487 local terms energy: -303.850286 where: bonds (distance) C4'-P energy: -63.206 bonds (distance) P-C4' energy: -62.764 flat angles C4'-P-C4' energy: -63.358 flat angles P-C4'-P energy: -38.999 tors. eta vs tors. theta energy: -75.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -834.940347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.940347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.940347 (E_RNA) where: Base-Base interactions energy: -563.050 where: short stacking energy: -267.517 Base-Backbone interact. energy: -0.127 local terms energy: -271.763434 where: bonds (distance) C4'-P energy: -54.223 bonds (distance) P-C4' energy: -53.129 flat angles C4'-P-C4' energy: -61.444 flat angles P-C4'-P energy: -39.551 tors. eta vs tors. theta energy: -63.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -880.036899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.036899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.036899 (E_RNA) where: Base-Base interactions energy: -573.341 where: short stacking energy: -254.346 Base-Backbone interact. energy: -0.563 local terms energy: -306.133000 where: bonds (distance) C4'-P energy: -56.060 bonds (distance) P-C4' energy: -59.211 flat angles C4'-P-C4' energy: -62.864 flat angles P-C4'-P energy: -47.074 tors. eta vs tors. theta energy: -80.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -765.387884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.387884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.387884 (E_RNA) where: Base-Base interactions energy: -492.749 where: short stacking energy: -207.961 Base-Backbone interact. energy: -1.612 local terms energy: -271.026566 where: bonds (distance) C4'-P energy: -54.376 bonds (distance) P-C4' energy: -60.524 flat angles C4'-P-C4' energy: -61.803 flat angles P-C4'-P energy: -37.042 tors. eta vs tors. theta energy: -57.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -546.253473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.253473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.253473 (E_RNA) where: Base-Base interactions energy: -303.534 where: short stacking energy: -148.837 Base-Backbone interact. energy: -1.067 local terms energy: -241.652575 where: bonds (distance) C4'-P energy: -51.865 bonds (distance) P-C4' energy: -61.530 flat angles C4'-P-C4' energy: -67.029 flat angles P-C4'-P energy: -37.179 tors. eta vs tors. theta energy: -24.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -446.938460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.938460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.938460 (E_RNA) where: Base-Base interactions energy: -237.065 where: short stacking energy: -108.667 Base-Backbone interact. energy: 1.812 local terms energy: -211.685237 where: bonds (distance) C4'-P energy: -61.831 bonds (distance) P-C4' energy: -57.238 flat angles C4'-P-C4' energy: -57.447 flat angles P-C4'-P energy: -24.927 tors. eta vs tors. theta energy: -10.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -359.022986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.022986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.022986 (E_RNA) where: Base-Base interactions energy: -173.205 where: short stacking energy: -99.615 Base-Backbone interact. energy: -2.426 local terms energy: -183.391540 where: bonds (distance) C4'-P energy: -55.197 bonds (distance) P-C4' energy: -50.326 flat angles C4'-P-C4' energy: -44.406 flat angles P-C4'-P energy: -26.272 tors. eta vs tors. theta energy: -7.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1156.529940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.529940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.529940 (E_RNA) where: Base-Base interactions energy: -810.457 where: short stacking energy: -337.083 Base-Backbone interact. energy: -1.672 local terms energy: -344.401505 where: bonds (distance) C4'-P energy: -73.363 bonds (distance) P-C4' energy: -59.627 flat angles C4'-P-C4' energy: -67.365 flat angles P-C4'-P energy: -45.054 tors. eta vs tors. theta energy: -98.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1048.245025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.245025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.245025 (E_RNA) where: Base-Base interactions energy: -747.227 where: short stacking energy: -298.451 Base-Backbone interact. energy: -1.142 local terms energy: -299.875193 where: bonds (distance) C4'-P energy: -51.397 bonds (distance) P-C4' energy: -56.792 flat angles C4'-P-C4' energy: -73.611 flat angles P-C4'-P energy: -42.032 tors. eta vs tors. theta energy: -76.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1077.089115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.089115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.089115 (E_RNA) where: Base-Base interactions energy: -752.331 where: short stacking energy: -308.476 Base-Backbone interact. energy: 2.445 local terms energy: -327.202866 where: bonds (distance) C4'-P energy: -62.495 bonds (distance) P-C4' energy: -66.003 flat angles C4'-P-C4' energy: -73.728 flat angles P-C4'-P energy: -42.187 tors. eta vs tors. theta energy: -82.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -963.444048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.444048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.444048 (E_RNA) where: Base-Base interactions energy: -653.957 where: short stacking energy: -290.346 Base-Backbone interact. energy: -0.700 local terms energy: -308.787314 where: bonds (distance) C4'-P energy: -55.424 bonds (distance) P-C4' energy: -69.496 flat angles C4'-P-C4' energy: -63.699 flat angles P-C4'-P energy: -30.780 tors. eta vs tors. theta energy: -89.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -860.316178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.316178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.316178 (E_RNA) where: Base-Base interactions energy: -553.662 where: short stacking energy: -249.090 Base-Backbone interact. energy: -0.128 local terms energy: -306.525946 where: bonds (distance) C4'-P energy: -62.886 bonds (distance) P-C4' energy: -61.297 flat angles C4'-P-C4' energy: -61.911 flat angles P-C4'-P energy: -49.577 tors. eta vs tors. theta energy: -70.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -875.739958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.739958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.739958 (E_RNA) where: Base-Base interactions energy: -601.367 where: short stacking energy: -255.759 Base-Backbone interact. energy: -2.261 local terms energy: -272.111680 where: bonds (distance) C4'-P energy: -58.598 bonds (distance) P-C4' energy: -56.209 flat angles C4'-P-C4' energy: -57.077 flat angles P-C4'-P energy: -36.332 tors. eta vs tors. theta energy: -63.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -723.329047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.329047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.329047 (E_RNA) where: Base-Base interactions energy: -487.399 where: short stacking energy: -204.430 Base-Backbone interact. energy: -1.337 local terms energy: -234.592475 where: bonds (distance) C4'-P energy: -55.639 bonds (distance) P-C4' energy: -59.124 flat angles C4'-P-C4' energy: -55.394 flat angles P-C4'-P energy: -17.866 tors. eta vs tors. theta energy: -46.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -605.671650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.671650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.671650 (E_RNA) where: Base-Base interactions energy: -342.999 where: short stacking energy: -174.446 Base-Backbone interact. energy: -0.483 local terms energy: -262.189675 where: bonds (distance) C4'-P energy: -50.080 bonds (distance) P-C4' energy: -60.770 flat angles C4'-P-C4' energy: -66.916 flat angles P-C4'-P energy: -36.783 tors. eta vs tors. theta energy: -47.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -449.297397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.297397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.297397 (E_RNA) where: Base-Base interactions energy: -248.786 where: short stacking energy: -143.902 Base-Backbone interact. energy: -0.082 local terms energy: -200.429320 where: bonds (distance) C4'-P energy: -54.733 bonds (distance) P-C4' energy: -51.922 flat angles C4'-P-C4' energy: -50.738 flat angles P-C4'-P energy: -26.632 tors. eta vs tors. theta energy: -16.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -327.531359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.531359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.531359 (E_RNA) where: Base-Base interactions energy: -147.711 where: short stacking energy: -82.451 Base-Backbone interact. energy: 0.916 local terms energy: -180.736065 where: bonds (distance) C4'-P energy: -52.990 bonds (distance) P-C4' energy: -63.007 flat angles C4'-P-C4' energy: -45.743 flat angles P-C4'-P energy: -28.851 tors. eta vs tors. theta energy: 9.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1131.978328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.978328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.978328 (E_RNA) where: Base-Base interactions energy: -788.006 where: short stacking energy: -328.419 Base-Backbone interact. energy: 0.259 local terms energy: -344.230548 where: bonds (distance) C4'-P energy: -59.617 bonds (distance) P-C4' energy: -68.245 flat angles C4'-P-C4' energy: -72.115 flat angles P-C4'-P energy: -50.278 tors. eta vs tors. theta energy: -93.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1083.362470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.362470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.362470 (E_RNA) where: Base-Base interactions energy: -758.912 where: short stacking energy: -302.393 Base-Backbone interact. energy: -2.606 local terms energy: -321.844573 where: bonds (distance) C4'-P energy: -70.109 bonds (distance) P-C4' energy: -65.575 flat angles C4'-P-C4' energy: -65.798 flat angles P-C4'-P energy: -41.381 tors. eta vs tors. theta energy: -78.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1085.048236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.048236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.048236 (E_RNA) where: Base-Base interactions energy: -768.231 where: short stacking energy: -300.574 Base-Backbone interact. energy: 2.157 local terms energy: -318.973980 where: bonds (distance) C4'-P energy: -63.909 bonds (distance) P-C4' energy: -57.754 flat angles C4'-P-C4' energy: -66.176 flat angles P-C4'-P energy: -52.019 tors. eta vs tors. theta energy: -79.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -957.097758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.097758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.097758 (E_RNA) where: Base-Base interactions energy: -621.468 where: short stacking energy: -254.759 Base-Backbone interact. energy: -1.022 local terms energy: -334.608446 where: bonds (distance) C4'-P energy: -69.596 bonds (distance) P-C4' energy: -59.605 flat angles C4'-P-C4' energy: -72.365 flat angles P-C4'-P energy: -47.323 tors. eta vs tors. theta energy: -85.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -905.956269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.956269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.956269 (E_RNA) where: Base-Base interactions energy: -607.018 where: short stacking energy: -242.084 Base-Backbone interact. energy: -0.774 local terms energy: -298.164289 where: bonds (distance) C4'-P energy: -56.679 bonds (distance) P-C4' energy: -58.371 flat angles C4'-P-C4' energy: -62.220 flat angles P-C4'-P energy: -45.178 tors. eta vs tors. theta energy: -75.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -852.697771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.697771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.697771 (E_RNA) where: Base-Base interactions energy: -564.818 where: short stacking energy: -259.200 Base-Backbone interact. energy: -2.032 local terms energy: -285.847304 where: bonds (distance) C4'-P energy: -56.905 bonds (distance) P-C4' energy: -60.100 flat angles C4'-P-C4' energy: -56.621 flat angles P-C4'-P energy: -40.426 tors. eta vs tors. theta energy: -71.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -754.442823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.442823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.442823 (E_RNA) where: Base-Base interactions energy: -471.157 where: short stacking energy: -231.119 Base-Backbone interact. energy: -1.493 local terms energy: -281.792630 where: bonds (distance) C4'-P energy: -59.592 bonds (distance) P-C4' energy: -52.002 flat angles C4'-P-C4' energy: -63.016 flat angles P-C4'-P energy: -44.947 tors. eta vs tors. theta energy: -62.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -554.884419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.884419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.884419 (E_RNA) where: Base-Base interactions energy: -314.915 where: short stacking energy: -167.640 Base-Backbone interact. energy: 5.452 local terms energy: -245.421062 where: bonds (distance) C4'-P energy: -55.412 bonds (distance) P-C4' energy: -56.717 flat angles C4'-P-C4' energy: -61.147 flat angles P-C4'-P energy: -31.000 tors. eta vs tors. theta energy: -41.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -453.110986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.110986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.110986 (E_RNA) where: Base-Base interactions energy: -226.332 where: short stacking energy: -133.158 Base-Backbone interact. energy: -0.490 local terms energy: -226.289048 where: bonds (distance) C4'-P energy: -54.994 bonds (distance) P-C4' energy: -46.761 flat angles C4'-P-C4' energy: -54.627 flat angles P-C4'-P energy: -39.474 tors. eta vs tors. theta energy: -30.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -318.460236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.460236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.460236 (E_RNA) where: Base-Base interactions energy: -144.524 where: short stacking energy: -85.312 Base-Backbone interact. energy: 3.093 local terms energy: -177.029500 where: bonds (distance) C4'-P energy: -47.019 bonds (distance) P-C4' energy: -53.007 flat angles C4'-P-C4' energy: -53.189 flat angles P-C4'-P energy: -27.251 tors. eta vs tors. theta energy: 3.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1140.265383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.265383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.265383 (E_RNA) where: Base-Base interactions energy: -784.175 where: short stacking energy: -329.885 Base-Backbone interact. energy: -2.593 local terms energy: -353.496468 where: bonds (distance) C4'-P energy: -78.840 bonds (distance) P-C4' energy: -58.061 flat angles C4'-P-C4' energy: -74.257 flat angles P-C4'-P energy: -46.610 tors. eta vs tors. theta energy: -95.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1129.924867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.924867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.924867 (E_RNA) where: Base-Base interactions energy: -803.756 where: short stacking energy: -313.925 Base-Backbone interact. energy: -1.774 local terms energy: -324.394907 where: bonds (distance) C4'-P energy: -55.144 bonds (distance) P-C4' energy: -62.582 flat angles C4'-P-C4' energy: -71.209 flat angles P-C4'-P energy: -47.221 tors. eta vs tors. theta energy: -88.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1067.910043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.910043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.910043 (E_RNA) where: Base-Base interactions energy: -752.293 where: short stacking energy: -305.520 Base-Backbone interact. energy: -1.187 local terms energy: -314.430300 where: bonds (distance) C4'-P energy: -60.761 bonds (distance) P-C4' energy: -66.627 flat angles C4'-P-C4' energy: -63.701 flat angles P-C4'-P energy: -36.353 tors. eta vs tors. theta energy: -86.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -919.029291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.029291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.029291 (E_RNA) where: Base-Base interactions energy: -620.662 where: short stacking energy: -265.178 Base-Backbone interact. energy: -1.877 local terms energy: -296.489857 where: bonds (distance) C4'-P energy: -48.126 bonds (distance) P-C4' energy: -64.019 flat angles C4'-P-C4' energy: -68.103 flat angles P-C4'-P energy: -39.104 tors. eta vs tors. theta energy: -77.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -924.258739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.258739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.258739 (E_RNA) where: Base-Base interactions energy: -623.559 where: short stacking energy: -271.172 Base-Backbone interact. energy: 1.336 local terms energy: -302.036011 where: bonds (distance) C4'-P energy: -55.826 bonds (distance) P-C4' energy: -61.949 flat angles C4'-P-C4' energy: -63.050 flat angles P-C4'-P energy: -45.396 tors. eta vs tors. theta energy: -75.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -822.648611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.648611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.648611 (E_RNA) where: Base-Base interactions energy: -537.042 where: short stacking energy: -253.225 Base-Backbone interact. energy: -0.063 local terms energy: -285.543592 where: bonds (distance) C4'-P energy: -56.521 bonds (distance) P-C4' energy: -58.528 flat angles C4'-P-C4' energy: -64.509 flat angles P-C4'-P energy: -49.296 tors. eta vs tors. theta energy: -56.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -732.302926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.302926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.302926 (E_RNA) where: Base-Base interactions energy: -480.077 where: short stacking energy: -209.993 Base-Backbone interact. energy: -1.103 local terms energy: -251.122440 where: bonds (distance) C4'-P energy: -47.183 bonds (distance) P-C4' energy: -53.546 flat angles C4'-P-C4' energy: -61.809 flat angles P-C4'-P energy: -45.650 tors. eta vs tors. theta energy: -42.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -538.058276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.058276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.058276 (E_RNA) where: Base-Base interactions energy: -290.148 where: short stacking energy: -165.515 Base-Backbone interact. energy: -0.411 local terms energy: -247.499132 where: bonds (distance) C4'-P energy: -56.165 bonds (distance) P-C4' energy: -66.797 flat angles C4'-P-C4' energy: -57.783 flat angles P-C4'-P energy: -32.592 tors. eta vs tors. theta energy: -34.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -447.484015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.484015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.484015 (E_RNA) where: Base-Base interactions energy: -249.996 where: short stacking energy: -136.732 Base-Backbone interact. energy: -1.564 local terms energy: -195.923915 where: bonds (distance) C4'-P energy: -54.749 bonds (distance) P-C4' energy: -52.354 flat angles C4'-P-C4' energy: -53.927 flat angles P-C4'-P energy: -27.846 tors. eta vs tors. theta energy: -7.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -317.013986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.013986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.013986 (E_RNA) where: Base-Base interactions energy: -136.233 where: short stacking energy: -84.174 Base-Backbone interact. energy: -1.307 local terms energy: -179.474607 where: bonds (distance) C4'-P energy: -52.826 bonds (distance) P-C4' energy: -39.877 flat angles C4'-P-C4' energy: -49.382 flat angles P-C4'-P energy: -32.418 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1131.706772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.706772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.706772 (E_RNA) where: Base-Base interactions energy: -783.728 where: short stacking energy: -327.765 Base-Backbone interact. energy: 2.373 local terms energy: -350.351934 where: bonds (distance) C4'-P energy: -65.633 bonds (distance) P-C4' energy: -62.056 flat angles C4'-P-C4' energy: -72.835 flat angles P-C4'-P energy: -52.420 tors. eta vs tors. theta energy: -97.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1105.801599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.801599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.801599 (E_RNA) where: Base-Base interactions energy: -760.140 where: short stacking energy: -308.931 Base-Backbone interact. energy: 1.446 local terms energy: -347.108122 where: bonds (distance) C4'-P energy: -70.222 bonds (distance) P-C4' energy: -61.564 flat angles C4'-P-C4' energy: -72.635 flat angles P-C4'-P energy: -53.048 tors. eta vs tors. theta energy: -89.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1064.678451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.678451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.678451 (E_RNA) where: Base-Base interactions energy: -747.450 where: short stacking energy: -300.353 Base-Backbone interact. energy: 1.386 local terms energy: -318.614791 where: bonds (distance) C4'-P energy: -57.538 bonds (distance) P-C4' energy: -67.982 flat angles C4'-P-C4' energy: -62.519 flat angles P-C4'-P energy: -46.659 tors. eta vs tors. theta energy: -83.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -919.083519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.083519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.083519 (E_RNA) where: Base-Base interactions energy: -621.817 where: short stacking energy: -283.188 Base-Backbone interact. energy: -0.578 local terms energy: -296.688292 where: bonds (distance) C4'-P energy: -51.795 bonds (distance) P-C4' energy: -56.954 flat angles C4'-P-C4' energy: -61.256 flat angles P-C4'-P energy: -44.140 tors. eta vs tors. theta energy: -82.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -921.445921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.445921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.445921 (E_RNA) where: Base-Base interactions energy: -627.393 where: short stacking energy: -273.534 Base-Backbone interact. energy: -2.047 local terms energy: -292.005843 where: bonds (distance) C4'-P energy: -46.036 bonds (distance) P-C4' energy: -55.125 flat angles C4'-P-C4' energy: -63.853 flat angles P-C4'-P energy: -42.346 tors. eta vs tors. theta energy: -84.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -813.167846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.167846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.167846 (E_RNA) where: Base-Base interactions energy: -532.486 where: short stacking energy: -239.858 Base-Backbone interact. energy: -2.253 local terms energy: -278.429489 where: bonds (distance) C4'-P energy: -59.328 bonds (distance) P-C4' energy: -48.553 flat angles C4'-P-C4' energy: -61.219 flat angles P-C4'-P energy: -41.664 tors. eta vs tors. theta energy: -67.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -766.196285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.196285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.196285 (E_RNA) where: Base-Base interactions energy: -503.446 where: short stacking energy: -256.962 Base-Backbone interact. energy: 2.239 local terms energy: -264.988910 where: bonds (distance) C4'-P energy: -48.685 bonds (distance) P-C4' energy: -62.635 flat angles C4'-P-C4' energy: -71.385 flat angles P-C4'-P energy: -23.570 tors. eta vs tors. theta energy: -58.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -538.711335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.711335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.711335 (E_RNA) where: Base-Base interactions energy: -304.550 where: short stacking energy: -153.733 Base-Backbone interact. energy: -0.038 local terms energy: -234.123228 where: bonds (distance) C4'-P energy: -59.886 bonds (distance) P-C4' energy: -61.934 flat angles C4'-P-C4' energy: -49.715 flat angles P-C4'-P energy: -37.383 tors. eta vs tors. theta energy: -25.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -419.443577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.443577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.443577 (E_RNA) where: Base-Base interactions energy: -220.911 where: short stacking energy: -115.435 Base-Backbone interact. energy: 4.307 local terms energy: -202.840102 where: bonds (distance) C4'-P energy: -58.826 bonds (distance) P-C4' energy: -56.564 flat angles C4'-P-C4' energy: -40.899 flat angles P-C4'-P energy: -36.501 tors. eta vs tors. theta energy: -10.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -272.662115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.662115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.662115 (E_RNA) where: Base-Base interactions energy: -114.883 where: short stacking energy: -75.601 Base-Backbone interact. energy: 0.430 local terms energy: -158.208944 where: bonds (distance) C4'-P energy: -49.946 bonds (distance) P-C4' energy: -45.017 flat angles C4'-P-C4' energy: -39.836 flat angles P-C4'-P energy: -26.642 tors. eta vs tors. theta energy: 3.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1133.788320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.788320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.788320 (E_RNA) where: Base-Base interactions energy: -795.508 where: short stacking energy: -317.803 Base-Backbone interact. energy: 1.808 local terms energy: -340.088452 where: bonds (distance) C4'-P energy: -63.726 bonds (distance) P-C4' energy: -64.600 flat angles C4'-P-C4' energy: -64.796 flat angles P-C4'-P energy: -50.868 tors. eta vs tors. theta energy: -96.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1109.067393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.067393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.067393 (E_RNA) where: Base-Base interactions energy: -793.070 where: short stacking energy: -322.960 Base-Backbone interact. energy: -1.140 local terms energy: -314.857325 where: bonds (distance) C4'-P energy: -57.897 bonds (distance) P-C4' energy: -54.160 flat angles C4'-P-C4' energy: -67.663 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -90.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1046.093440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.093440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.093440 (E_RNA) where: Base-Base interactions energy: -729.939 where: short stacking energy: -296.385 Base-Backbone interact. energy: 0.467 local terms energy: -316.621082 where: bonds (distance) C4'-P energy: -59.449 bonds (distance) P-C4' energy: -54.619 flat angles C4'-P-C4' energy: -73.050 flat angles P-C4'-P energy: -47.158 tors. eta vs tors. theta energy: -82.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -938.815814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.815814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.815814 (E_RNA) where: Base-Base interactions energy: -634.707 where: short stacking energy: -280.033 Base-Backbone interact. energy: -2.328 local terms energy: -301.781092 where: bonds (distance) C4'-P energy: -54.239 bonds (distance) P-C4' energy: -60.079 flat angles C4'-P-C4' energy: -61.614 flat angles P-C4'-P energy: -44.168 tors. eta vs tors. theta energy: -81.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -936.377492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.377492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.377492 (E_RNA) where: Base-Base interactions energy: -635.573 where: short stacking energy: -265.691 Base-Backbone interact. energy: -0.942 local terms energy: -299.862748 where: bonds (distance) C4'-P energy: -66.799 bonds (distance) P-C4' energy: -66.803 flat angles C4'-P-C4' energy: -54.203 flat angles P-C4'-P energy: -38.246 tors. eta vs tors. theta energy: -73.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -790.715779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.715779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.715779 (E_RNA) where: Base-Base interactions energy: -513.424 where: short stacking energy: -238.361 Base-Backbone interact. energy: -0.729 local terms energy: -276.562958 where: bonds (distance) C4'-P energy: -54.367 bonds (distance) P-C4' energy: -66.109 flat angles C4'-P-C4' energy: -55.953 flat angles P-C4'-P energy: -35.663 tors. eta vs tors. theta energy: -64.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -786.400498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.400498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.400498 (E_RNA) where: Base-Base interactions energy: -521.604 where: short stacking energy: -240.175 Base-Backbone interact. energy: -1.459 local terms energy: -263.336697 where: bonds (distance) C4'-P energy: -60.978 bonds (distance) P-C4' energy: -55.146 flat angles C4'-P-C4' energy: -66.889 flat angles P-C4'-P energy: -26.630 tors. eta vs tors. theta energy: -53.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -566.027699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.027699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.027699 (E_RNA) where: Base-Base interactions energy: -331.019 where: short stacking energy: -169.019 Base-Backbone interact. energy: 0.533 local terms energy: -235.542079 where: bonds (distance) C4'-P energy: -52.240 bonds (distance) P-C4' energy: -63.317 flat angles C4'-P-C4' energy: -44.765 flat angles P-C4'-P energy: -35.713 tors. eta vs tors. theta energy: -39.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -451.482539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.482539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.482539 (E_RNA) where: Base-Base interactions energy: -256.215 where: short stacking energy: -121.316 Base-Backbone interact. energy: -0.812 local terms energy: -194.456106 where: bonds (distance) C4'-P energy: -44.548 bonds (distance) P-C4' energy: -54.988 flat angles C4'-P-C4' energy: -44.510 flat angles P-C4'-P energy: -30.792 tors. eta vs tors. theta energy: -19.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -313.317700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.317700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.317700 (E_RNA) where: Base-Base interactions energy: -136.965 where: short stacking energy: -85.801 Base-Backbone interact. energy: -1.637 local terms energy: -174.715751 where: bonds (distance) C4'-P energy: -55.478 bonds (distance) P-C4' energy: -59.513 flat angles C4'-P-C4' energy: -38.513 flat angles P-C4'-P energy: -31.286 tors. eta vs tors. theta energy: 10.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1136.716131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.716131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.716131 (E_RNA) where: Base-Base interactions energy: -779.576 where: short stacking energy: -314.163 Base-Backbone interact. energy: -3.040 local terms energy: -354.100369 where: bonds (distance) C4'-P energy: -70.026 bonds (distance) P-C4' energy: -66.981 flat angles C4'-P-C4' energy: -75.124 flat angles P-C4'-P energy: -49.763 tors. eta vs tors. theta energy: -92.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1098.828902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.828902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.828902 (E_RNA) where: Base-Base interactions energy: -756.969 where: short stacking energy: -321.014 Base-Backbone interact. energy: -0.566 local terms energy: -341.293457 where: bonds (distance) C4'-P energy: -71.985 bonds (distance) P-C4' energy: -56.116 flat angles C4'-P-C4' energy: -68.467 flat angles P-C4'-P energy: -54.943 tors. eta vs tors. theta energy: -89.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1061.466721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.466721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.466721 (E_RNA) where: Base-Base interactions energy: -732.380 where: short stacking energy: -305.170 Base-Backbone interact. energy: -0.346 local terms energy: -328.739965 where: bonds (distance) C4'-P energy: -61.985 bonds (distance) P-C4' energy: -61.029 flat angles C4'-P-C4' energy: -72.432 flat angles P-C4'-P energy: -53.961 tors. eta vs tors. theta energy: -79.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -929.998480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.998480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.998480 (E_RNA) where: Base-Base interactions energy: -617.681 where: short stacking energy: -277.930 Base-Backbone interact. energy: 0.351 local terms energy: -312.667752 where: bonds (distance) C4'-P energy: -60.286 bonds (distance) P-C4' energy: -60.970 flat angles C4'-P-C4' energy: -69.816 flat angles P-C4'-P energy: -41.769 tors. eta vs tors. theta energy: -79.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -909.134611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.134611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.134611 (E_RNA) where: Base-Base interactions energy: -622.109 where: short stacking energy: -267.239 Base-Backbone interact. energy: -0.399 local terms energy: -286.626040 where: bonds (distance) C4'-P energy: -46.811 bonds (distance) P-C4' energy: -58.304 flat angles C4'-P-C4' energy: -59.965 flat angles P-C4'-P energy: -40.629 tors. eta vs tors. theta energy: -80.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -795.554497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.554497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.554497 (E_RNA) where: Base-Base interactions energy: -528.733 where: short stacking energy: -250.977 Base-Backbone interact. energy: -2.550 local terms energy: -264.271548 where: bonds (distance) C4'-P energy: -49.027 bonds (distance) P-C4' energy: -52.598 flat angles C4'-P-C4' energy: -64.781 flat angles P-C4'-P energy: -35.906 tors. eta vs tors. theta energy: -61.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -736.061585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.061585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.061585 (E_RNA) where: Base-Base interactions energy: -474.840 where: short stacking energy: -213.428 Base-Backbone interact. energy: -2.643 local terms energy: -258.577662 where: bonds (distance) C4'-P energy: -53.854 bonds (distance) P-C4' energy: -65.365 flat angles C4'-P-C4' energy: -48.591 flat angles P-C4'-P energy: -37.912 tors. eta vs tors. theta energy: -52.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -536.011189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.011189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.011189 (E_RNA) where: Base-Base interactions energy: -308.631 where: short stacking energy: -170.111 Base-Backbone interact. energy: -1.493 local terms energy: -225.888104 where: bonds (distance) C4'-P energy: -45.256 bonds (distance) P-C4' energy: -52.184 flat angles C4'-P-C4' energy: -60.090 flat angles P-C4'-P energy: -31.081 tors. eta vs tors. theta energy: -37.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -522.990622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.990622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.990622 (E_RNA) where: Base-Base interactions energy: -302.329 where: short stacking energy: -168.130 Base-Backbone interact. energy: -0.443 local terms energy: -220.218517 where: bonds (distance) C4'-P energy: -52.061 bonds (distance) P-C4' energy: -58.205 flat angles C4'-P-C4' energy: -52.800 flat angles P-C4'-P energy: -25.432 tors. eta vs tors. theta energy: -31.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -322.324437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.324437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.324437 (E_RNA) where: Base-Base interactions energy: -137.322 where: short stacking energy: -90.486 Base-Backbone interact. energy: -0.519 local terms energy: -184.483206 where: bonds (distance) C4'-P energy: -50.241 bonds (distance) P-C4' energy: -58.213 flat angles C4'-P-C4' energy: -52.838 flat angles P-C4'-P energy: -25.926 tors. eta vs tors. theta energy: 2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1116.914137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.914137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.914137 (E_RNA) where: Base-Base interactions energy: -776.642 where: short stacking energy: -315.764 Base-Backbone interact. energy: 0.883 local terms energy: -341.154561 where: bonds (distance) C4'-P energy: -68.853 bonds (distance) P-C4' energy: -61.545 flat angles C4'-P-C4' energy: -72.244 flat angles P-C4'-P energy: -49.594 tors. eta vs tors. theta energy: -88.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1109.930053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.930053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.930053 (E_RNA) where: Base-Base interactions energy: -792.951 where: short stacking energy: -322.819 Base-Backbone interact. energy: 3.149 local terms energy: -320.128235 where: bonds (distance) C4'-P energy: -49.945 bonds (distance) P-C4' energy: -63.820 flat angles C4'-P-C4' energy: -65.982 flat angles P-C4'-P energy: -45.807 tors. eta vs tors. theta energy: -94.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1060.925398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.925398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.925398 (E_RNA) where: Base-Base interactions energy: -742.561 where: short stacking energy: -297.061 Base-Backbone interact. energy: 0.682 local terms energy: -319.045916 where: bonds (distance) C4'-P energy: -69.074 bonds (distance) P-C4' energy: -55.524 flat angles C4'-P-C4' energy: -69.459 flat angles P-C4'-P energy: -45.943 tors. eta vs tors. theta energy: -79.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -937.022247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.022247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.022247 (E_RNA) where: Base-Base interactions energy: -619.838 where: short stacking energy: -289.933 Base-Backbone interact. energy: 2.366 local terms energy: -319.549646 where: bonds (distance) C4'-P energy: -58.183 bonds (distance) P-C4' energy: -62.461 flat angles C4'-P-C4' energy: -68.501 flat angles P-C4'-P energy: -42.779 tors. eta vs tors. theta energy: -87.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -901.543274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.543274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.543274 (E_RNA) where: Base-Base interactions energy: -608.170 where: short stacking energy: -255.759 Base-Backbone interact. energy: -0.904 local terms energy: -292.469978 where: bonds (distance) C4'-P energy: -49.317 bonds (distance) P-C4' energy: -59.841 flat angles C4'-P-C4' energy: -62.001 flat angles P-C4'-P energy: -38.060 tors. eta vs tors. theta energy: -83.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -810.990805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.990805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.990805 (E_RNA) where: Base-Base interactions energy: -541.268 where: short stacking energy: -249.829 Base-Backbone interact. energy: -0.880 local terms energy: -268.843507 where: bonds (distance) C4'-P energy: -56.475 bonds (distance) P-C4' energy: -57.874 flat angles C4'-P-C4' energy: -51.277 flat angles P-C4'-P energy: -33.319 tors. eta vs tors. theta energy: -69.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -734.227325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.227325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.227325 (E_RNA) where: Base-Base interactions energy: -497.385 where: short stacking energy: -222.693 Base-Backbone interact. energy: 1.812 local terms energy: -238.654306 where: bonds (distance) C4'-P energy: -42.461 bonds (distance) P-C4' energy: -62.724 flat angles C4'-P-C4' energy: -55.777 flat angles P-C4'-P energy: -28.823 tors. eta vs tors. theta energy: -48.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -515.696307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.696307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.696307 (E_RNA) where: Base-Base interactions energy: -297.531 where: short stacking energy: -145.557 Base-Backbone interact. energy: -1.426 local terms energy: -216.739622 where: bonds (distance) C4'-P energy: -56.884 bonds (distance) P-C4' energy: -54.860 flat angles C4'-P-C4' energy: -61.234 flat angles P-C4'-P energy: -29.353 tors. eta vs tors. theta energy: -14.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -496.924265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.924265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.924265 (E_RNA) where: Base-Base interactions energy: -299.019 where: short stacking energy: -162.724 Base-Backbone interact. energy: 1.779 local terms energy: -199.684119 where: bonds (distance) C4'-P energy: -47.588 bonds (distance) P-C4' energy: -48.852 flat angles C4'-P-C4' energy: -49.996 flat angles P-C4'-P energy: -27.986 tors. eta vs tors. theta energy: -25.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -289.510272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.510272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.510272 (E_RNA) where: Base-Base interactions energy: -126.136 where: short stacking energy: -115.213 Base-Backbone interact. energy: 0.422 local terms energy: -163.795508 where: bonds (distance) C4'-P energy: -53.528 bonds (distance) P-C4' energy: -50.034 flat angles C4'-P-C4' energy: -35.134 flat angles P-C4'-P energy: -19.708 tors. eta vs tors. theta energy: -5.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1140.226232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.226232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.226232 (E_RNA) where: Base-Base interactions energy: -807.911 where: short stacking energy: -337.975 Base-Backbone interact. energy: 5.721 local terms energy: -338.036096 where: bonds (distance) C4'-P energy: -58.689 bonds (distance) P-C4' energy: -66.325 flat angles C4'-P-C4' energy: -65.058 flat angles P-C4'-P energy: -53.981 tors. eta vs tors. theta energy: -93.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1108.310130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.310130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.310130 (E_RNA) where: Base-Base interactions energy: -786.943 where: short stacking energy: -316.178 Base-Backbone interact. energy: -0.433 local terms energy: -320.933837 where: bonds (distance) C4'-P energy: -65.213 bonds (distance) P-C4' energy: -55.531 flat angles C4'-P-C4' energy: -69.475 flat angles P-C4'-P energy: -42.738 tors. eta vs tors. theta energy: -87.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1068.626099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.626099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.626099 (E_RNA) where: Base-Base interactions energy: -745.708 where: short stacking energy: -298.716 Base-Backbone interact. energy: -0.607 local terms energy: -322.310735 where: bonds (distance) C4'-P energy: -58.743 bonds (distance) P-C4' energy: -67.870 flat angles C4'-P-C4' energy: -70.178 flat angles P-C4'-P energy: -42.961 tors. eta vs tors. theta energy: -82.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -966.402978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.402978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.402978 (E_RNA) where: Base-Base interactions energy: -651.116 where: short stacking energy: -274.722 Base-Backbone interact. energy: -1.660 local terms energy: -313.627054 where: bonds (distance) C4'-P energy: -63.842 bonds (distance) P-C4' energy: -59.741 flat angles C4'-P-C4' energy: -72.137 flat angles P-C4'-P energy: -42.181 tors. eta vs tors. theta energy: -75.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -923.011520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.011520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.011520 (E_RNA) where: Base-Base interactions energy: -637.833 where: short stacking energy: -269.275 Base-Backbone interact. energy: 0.493 local terms energy: -285.671791 where: bonds (distance) C4'-P energy: -53.873 bonds (distance) P-C4' energy: -50.640 flat angles C4'-P-C4' energy: -62.917 flat angles P-C4'-P energy: -38.632 tors. eta vs tors. theta energy: -79.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -806.968005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.968005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.968005 (E_RNA) where: Base-Base interactions energy: -513.458 where: short stacking energy: -236.426 Base-Backbone interact. energy: -0.795 local terms energy: -292.715012 where: bonds (distance) C4'-P energy: -58.124 bonds (distance) P-C4' energy: -64.798 flat angles C4'-P-C4' energy: -64.477 flat angles P-C4'-P energy: -35.996 tors. eta vs tors. theta energy: -69.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -751.694813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.694813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.694813 (E_RNA) where: Base-Base interactions energy: -480.304 where: short stacking energy: -211.461 Base-Backbone interact. energy: -2.648 local terms energy: -268.742872 where: bonds (distance) C4'-P energy: -52.874 bonds (distance) P-C4' energy: -69.089 flat angles C4'-P-C4' energy: -60.182 flat angles P-C4'-P energy: -34.502 tors. eta vs tors. theta energy: -52.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -505.601320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.601320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.601320 (E_RNA) where: Base-Base interactions energy: -296.234 where: short stacking energy: -153.781 Base-Backbone interact. energy: -0.808 local terms energy: -208.559546 where: bonds (distance) C4'-P energy: -47.697 bonds (distance) P-C4' energy: -54.146 flat angles C4'-P-C4' energy: -47.185 flat angles P-C4'-P energy: -34.047 tors. eta vs tors. theta energy: -25.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -457.889097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.889097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.889097 (E_RNA) where: Base-Base interactions energy: -264.122 where: short stacking energy: -136.857 Base-Backbone interact. energy: 5.013 local terms energy: -198.779927 where: bonds (distance) C4'-P energy: -54.339 bonds (distance) P-C4' energy: -61.113 flat angles C4'-P-C4' energy: -50.872 flat angles P-C4'-P energy: -22.438 tors. eta vs tors. theta energy: -10.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -283.505816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.505816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.505816 (E_RNA) where: Base-Base interactions energy: -122.273 where: short stacking energy: -85.705 Base-Backbone interact. energy: 0.027 local terms energy: -161.259576 where: bonds (distance) C4'-P energy: -43.631 bonds (distance) P-C4' energy: -59.618 flat angles C4'-P-C4' energy: -46.814 flat angles P-C4'-P energy: -20.477 tors. eta vs tors. theta energy: 9.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1137.732194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.732194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.732194 (E_RNA) where: Base-Base interactions energy: -800.697 where: short stacking energy: -334.331 Base-Backbone interact. energy: 7.471 local terms energy: -344.506433 where: bonds (distance) C4'-P energy: -63.066 bonds (distance) P-C4' energy: -65.171 flat angles C4'-P-C4' energy: -69.352 flat angles P-C4'-P energy: -52.896 tors. eta vs tors. theta energy: -94.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1115.294816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.294816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.294816 (E_RNA) where: Base-Base interactions energy: -785.638 where: short stacking energy: -308.841 Base-Backbone interact. energy: 1.761 local terms energy: -331.418187 where: bonds (distance) C4'-P energy: -66.196 bonds (distance) P-C4' energy: -68.378 flat angles C4'-P-C4' energy: -66.062 flat angles P-C4'-P energy: -43.484 tors. eta vs tors. theta energy: -87.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1072.496410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.496410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.496410 (E_RNA) where: Base-Base interactions energy: -742.862 where: short stacking energy: -314.737 Base-Backbone interact. energy: -1.216 local terms energy: -328.418278 where: bonds (distance) C4'-P energy: -63.326 bonds (distance) P-C4' energy: -63.418 flat angles C4'-P-C4' energy: -69.150 flat angles P-C4'-P energy: -48.730 tors. eta vs tors. theta energy: -83.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -981.161231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.161231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.161231 (E_RNA) where: Base-Base interactions energy: -645.826 where: short stacking energy: -281.303 Base-Backbone interact. energy: -1.716 local terms energy: -333.619727 where: bonds (distance) C4'-P energy: -61.391 bonds (distance) P-C4' energy: -66.531 flat angles C4'-P-C4' energy: -72.376 flat angles P-C4'-P energy: -50.181 tors. eta vs tors. theta energy: -83.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -904.737006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.737006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.737006 (E_RNA) where: Base-Base interactions energy: -601.518 where: short stacking energy: -258.961 Base-Backbone interact. energy: -0.049 local terms energy: -303.170838 where: bonds (distance) C4'-P energy: -56.112 bonds (distance) P-C4' energy: -70.445 flat angles C4'-P-C4' energy: -64.632 flat angles P-C4'-P energy: -39.122 tors. eta vs tors. theta energy: -72.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -776.029721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.029721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.029721 (E_RNA) where: Base-Base interactions energy: -486.826 where: short stacking energy: -241.485 Base-Backbone interact. energy: 1.565 local terms energy: -290.768700 where: bonds (distance) C4'-P energy: -63.245 bonds (distance) P-C4' energy: -53.429 flat angles C4'-P-C4' energy: -62.163 flat angles P-C4'-P energy: -51.223 tors. eta vs tors. theta energy: -60.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -767.363749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.363749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.363749 (E_RNA) where: Base-Base interactions energy: -493.047 where: short stacking energy: -223.433 Base-Backbone interact. energy: -3.043 local terms energy: -271.273518 where: bonds (distance) C4'-P energy: -60.401 bonds (distance) P-C4' energy: -59.016 flat angles C4'-P-C4' energy: -54.532 flat angles P-C4'-P energy: -43.920 tors. eta vs tors. theta energy: -53.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -507.159921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.159921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.159921 (E_RNA) where: Base-Base interactions energy: -288.035 where: short stacking energy: -152.929 Base-Backbone interact. energy: -0.121 local terms energy: -219.003644 where: bonds (distance) C4'-P energy: -54.804 bonds (distance) P-C4' energy: -60.839 flat angles C4'-P-C4' energy: -51.960 flat angles P-C4'-P energy: -23.706 tors. eta vs tors. theta energy: -27.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -445.869367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.869367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.869367 (E_RNA) where: Base-Base interactions energy: -243.603 where: short stacking energy: -145.968 Base-Backbone interact. energy: -0.497 local terms energy: -201.769189 where: bonds (distance) C4'-P energy: -54.967 bonds (distance) P-C4' energy: -51.121 flat angles C4'-P-C4' energy: -47.484 flat angles P-C4'-P energy: -32.902 tors. eta vs tors. theta energy: -15.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -291.331966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.331966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.331966 (E_RNA) where: Base-Base interactions energy: -90.166 where: short stacking energy: -61.992 Base-Backbone interact. energy: 2.333 local terms energy: -203.498718 where: bonds (distance) C4'-P energy: -53.998 bonds (distance) P-C4' energy: -65.780 flat angles C4'-P-C4' energy: -56.415 flat angles P-C4'-P energy: -31.100 tors. eta vs tors. theta energy: 3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1149.894462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.894462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.894462 (E_RNA) where: Base-Base interactions energy: -808.629 where: short stacking energy: -335.201 Base-Backbone interact. energy: 5.601 local terms energy: -346.867309 where: bonds (distance) C4'-P energy: -62.049 bonds (distance) P-C4' energy: -63.106 flat angles C4'-P-C4' energy: -73.639 flat angles P-C4'-P energy: -52.676 tors. eta vs tors. theta energy: -95.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1093.234705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.234705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.234705 (E_RNA) where: Base-Base interactions energy: -758.889 where: short stacking energy: -305.919 Base-Backbone interact. energy: -2.049 local terms energy: -332.297165 where: bonds (distance) C4'-P energy: -61.477 bonds (distance) P-C4' energy: -59.937 flat angles C4'-P-C4' energy: -68.303 flat angles P-C4'-P energy: -45.838 tors. eta vs tors. theta energy: -96.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1098.753636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.753636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.753636 (E_RNA) where: Base-Base interactions energy: -749.637 where: short stacking energy: -311.621 Base-Backbone interact. energy: -1.408 local terms energy: -347.709147 where: bonds (distance) C4'-P energy: -65.351 bonds (distance) P-C4' energy: -70.453 flat angles C4'-P-C4' energy: -73.444 flat angles P-C4'-P energy: -45.970 tors. eta vs tors. theta energy: -92.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -955.428687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.428687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.428687 (E_RNA) where: Base-Base interactions energy: -651.239 where: short stacking energy: -292.279 Base-Backbone interact. energy: -0.995 local terms energy: -303.195106 where: bonds (distance) C4'-P energy: -53.040 bonds (distance) P-C4' energy: -57.356 flat angles C4'-P-C4' energy: -66.400 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: -87.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -902.512669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.512669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.512669 (E_RNA) where: Base-Base interactions energy: -606.314 where: short stacking energy: -261.680 Base-Backbone interact. energy: 2.318 local terms energy: -298.516860 where: bonds (distance) C4'-P energy: -60.864 bonds (distance) P-C4' energy: -58.808 flat angles C4'-P-C4' energy: -65.735 flat angles P-C4'-P energy: -34.270 tors. eta vs tors. theta energy: -78.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -808.287048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.287048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.287048 (E_RNA) where: Base-Base interactions energy: -515.805 where: short stacking energy: -238.548 Base-Backbone interact. energy: -1.282 local terms energy: -291.199687 where: bonds (distance) C4'-P energy: -57.749 bonds (distance) P-C4' energy: -54.406 flat angles C4'-P-C4' energy: -67.191 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: -66.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -749.929557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.929557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.929557 (E_RNA) where: Base-Base interactions energy: -462.750 where: short stacking energy: -214.953 Base-Backbone interact. energy: -2.962 local terms energy: -284.216619 where: bonds (distance) C4'-P energy: -58.603 bonds (distance) P-C4' energy: -61.760 flat angles C4'-P-C4' energy: -67.508 flat angles P-C4'-P energy: -32.510 tors. eta vs tors. theta energy: -63.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -552.632412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.632412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.632412 (E_RNA) where: Base-Base interactions energy: -313.727 where: short stacking energy: -162.015 Base-Backbone interact. energy: 0.026 local terms energy: -238.931204 where: bonds (distance) C4'-P energy: -64.581 bonds (distance) P-C4' energy: -59.446 flat angles C4'-P-C4' energy: -62.410 flat angles P-C4'-P energy: -29.940 tors. eta vs tors. theta energy: -22.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -420.374854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.374854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.374854 (E_RNA) where: Base-Base interactions energy: -206.006 where: short stacking energy: -116.681 Base-Backbone interact. energy: -0.481 local terms energy: -213.887469 where: bonds (distance) C4'-P energy: -58.799 bonds (distance) P-C4' energy: -53.513 flat angles C4'-P-C4' energy: -49.696 flat angles P-C4'-P energy: -33.944 tors. eta vs tors. theta energy: -17.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -255.921850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.921850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.921850 (E_RNA) where: Base-Base interactions energy: -85.042 where: short stacking energy: -71.378 Base-Backbone interact. energy: -0.721 local terms energy: -170.158964 where: bonds (distance) C4'-P energy: -52.488 bonds (distance) P-C4' energy: -58.219 flat angles C4'-P-C4' energy: -43.157 flat angles P-C4'-P energy: -18.885 tors. eta vs tors. theta energy: 2.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1134.005753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.005753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.005753 (E_RNA) where: Base-Base interactions energy: -795.872 where: short stacking energy: -339.627 Base-Backbone interact. energy: 3.050 local terms energy: -341.183948 where: bonds (distance) C4'-P energy: -60.190 bonds (distance) P-C4' energy: -68.013 flat angles C4'-P-C4' energy: -74.185 flat angles P-C4'-P energy: -41.620 tors. eta vs tors. theta energy: -97.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1072.653209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.653209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.653209 (E_RNA) where: Base-Base interactions energy: -726.391 where: short stacking energy: -299.326 Base-Backbone interact. energy: -2.189 local terms energy: -344.073064 where: bonds (distance) C4'-P energy: -63.603 bonds (distance) P-C4' energy: -67.232 flat angles C4'-P-C4' energy: -75.416 flat angles P-C4'-P energy: -49.873 tors. eta vs tors. theta energy: -87.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1086.094086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.094086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.094086 (E_RNA) where: Base-Base interactions energy: -764.351 where: short stacking energy: -309.945 Base-Backbone interact. energy: -2.797 local terms energy: -318.945669 where: bonds (distance) C4'-P energy: -56.436 bonds (distance) P-C4' energy: -57.835 flat angles C4'-P-C4' energy: -68.736 flat angles P-C4'-P energy: -44.551 tors. eta vs tors. theta energy: -91.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -964.282101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.282101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.282101 (E_RNA) where: Base-Base interactions energy: -634.687 where: short stacking energy: -286.345 Base-Backbone interact. energy: -2.244 local terms energy: -327.350726 where: bonds (distance) C4'-P energy: -52.034 bonds (distance) P-C4' energy: -68.332 flat angles C4'-P-C4' energy: -69.276 flat angles P-C4'-P energy: -49.577 tors. eta vs tors. theta energy: -88.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -900.945785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.945785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.945785 (E_RNA) where: Base-Base interactions energy: -615.787 where: short stacking energy: -258.113 Base-Backbone interact. energy: -1.748 local terms energy: -283.411215 where: bonds (distance) C4'-P energy: -60.456 bonds (distance) P-C4' energy: -51.012 flat angles C4'-P-C4' energy: -62.325 flat angles P-C4'-P energy: -30.822 tors. eta vs tors. theta energy: -78.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -799.384226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.384226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.384226 (E_RNA) where: Base-Base interactions energy: -515.057 where: short stacking energy: -252.049 Base-Backbone interact. energy: -1.384 local terms energy: -282.942478 where: bonds (distance) C4'-P energy: -57.371 bonds (distance) P-C4' energy: -65.131 flat angles C4'-P-C4' energy: -59.143 flat angles P-C4'-P energy: -32.040 tors. eta vs tors. theta energy: -69.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -762.068087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.068087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.068087 (E_RNA) where: Base-Base interactions energy: -492.115 where: short stacking energy: -216.324 Base-Backbone interact. energy: 1.745 local terms energy: -271.697932 where: bonds (distance) C4'-P energy: -59.701 bonds (distance) P-C4' energy: -56.557 flat angles C4'-P-C4' energy: -56.331 flat angles P-C4'-P energy: -42.779 tors. eta vs tors. theta energy: -56.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -544.637385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.637385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.637385 (E_RNA) where: Base-Base interactions energy: -317.350 where: short stacking energy: -174.108 Base-Backbone interact. energy: -0.281 local terms energy: -227.006658 where: bonds (distance) C4'-P energy: -57.051 bonds (distance) P-C4' energy: -60.188 flat angles C4'-P-C4' energy: -56.676 flat angles P-C4'-P energy: -28.874 tors. eta vs tors. theta energy: -24.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -416.266115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.266115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.266115 (E_RNA) where: Base-Base interactions energy: -216.312 where: short stacking energy: -122.692 Base-Backbone interact. energy: 0.056 local terms energy: -200.010848 where: bonds (distance) C4'-P energy: -55.762 bonds (distance) P-C4' energy: -45.962 flat angles C4'-P-C4' energy: -52.675 flat angles P-C4'-P energy: -34.928 tors. eta vs tors. theta energy: -10.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -275.541836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.541836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.541836 (E_RNA) where: Base-Base interactions energy: -87.721 where: short stacking energy: -66.035 Base-Backbone interact. energy: -0.315 local terms energy: -187.506300 where: bonds (distance) C4'-P energy: -65.301 bonds (distance) P-C4' energy: -54.550 flat angles C4'-P-C4' energy: -51.874 flat angles P-C4'-P energy: -25.462 tors. eta vs tors. theta energy: 9.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1087.870355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.870355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.870355 (E_RNA) where: Base-Base interactions energy: -762.705 where: short stacking energy: -313.309 Base-Backbone interact. energy: 0.645 local terms energy: -325.810326 where: bonds (distance) C4'-P energy: -55.705 bonds (distance) P-C4' energy: -57.972 flat angles C4'-P-C4' energy: -75.547 flat angles P-C4'-P energy: -53.261 tors. eta vs tors. theta energy: -83.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1100.910452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.910452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.910452 (E_RNA) where: Base-Base interactions energy: -788.568 where: short stacking energy: -326.549 Base-Backbone interact. energy: 4.603 local terms energy: -316.945409 where: bonds (distance) C4'-P energy: -54.500 bonds (distance) P-C4' energy: -60.141 flat angles C4'-P-C4' energy: -64.257 flat angles P-C4'-P energy: -52.959 tors. eta vs tors. theta energy: -85.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1059.311555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.311555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.311555 (E_RNA) where: Base-Base interactions energy: -723.755 where: short stacking energy: -305.369 Base-Backbone interact. energy: -0.619 local terms energy: -334.938033 where: bonds (distance) C4'-P energy: -60.561 bonds (distance) P-C4' energy: -62.810 flat angles C4'-P-C4' energy: -70.636 flat angles P-C4'-P energy: -48.259 tors. eta vs tors. theta energy: -92.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -971.831353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.831353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.831353 (E_RNA) where: Base-Base interactions energy: -650.317 where: short stacking energy: -283.586 Base-Backbone interact. energy: -1.001 local terms energy: -320.513673 where: bonds (distance) C4'-P energy: -53.415 bonds (distance) P-C4' energy: -57.615 flat angles C4'-P-C4' energy: -70.267 flat angles P-C4'-P energy: -50.389 tors. eta vs tors. theta energy: -88.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -938.714701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.714701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.714701 (E_RNA) where: Base-Base interactions energy: -628.097 where: short stacking energy: -254.513 Base-Backbone interact. energy: -1.094 local terms energy: -309.523628 where: bonds (distance) C4'-P energy: -64.942 bonds (distance) P-C4' energy: -58.080 flat angles C4'-P-C4' energy: -60.394 flat angles P-C4'-P energy: -47.907 tors. eta vs tors. theta energy: -78.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -782.731688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.731688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.731688 (E_RNA) where: Base-Base interactions energy: -503.138 where: short stacking energy: -250.377 Base-Backbone interact. energy: -1.568 local terms energy: -278.025818 where: bonds (distance) C4'-P energy: -62.277 bonds (distance) P-C4' energy: -51.220 flat angles C4'-P-C4' energy: -70.036 flat angles P-C4'-P energy: -30.385 tors. eta vs tors. theta energy: -64.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -799.838327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.838327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.838327 (E_RNA) where: Base-Base interactions energy: -543.949 where: short stacking energy: -244.186 Base-Backbone interact. energy: -3.644 local terms energy: -252.244671 where: bonds (distance) C4'-P energy: -51.107 bonds (distance) P-C4' energy: -46.251 flat angles C4'-P-C4' energy: -50.795 flat angles P-C4'-P energy: -42.381 tors. eta vs tors. theta energy: -61.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -547.228700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.228700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.228700 (E_RNA) where: Base-Base interactions energy: -299.871 where: short stacking energy: -155.165 Base-Backbone interact. energy: -0.558 local terms energy: -246.799840 where: bonds (distance) C4'-P energy: -56.557 bonds (distance) P-C4' energy: -57.134 flat angles C4'-P-C4' energy: -60.973 flat angles P-C4'-P energy: -32.914 tors. eta vs tors. theta energy: -39.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -434.298325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.298325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.298325 (E_RNA) where: Base-Base interactions energy: -237.710 where: short stacking energy: -132.453 Base-Backbone interact. energy: -0.787 local terms energy: -195.801918 where: bonds (distance) C4'-P energy: -54.687 bonds (distance) P-C4' energy: -58.549 flat angles C4'-P-C4' energy: -45.469 flat angles P-C4'-P energy: -25.283 tors. eta vs tors. theta energy: -11.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -270.667512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.667512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.667512 (E_RNA) where: Base-Base interactions energy: -87.707 where: short stacking energy: -74.412 Base-Backbone interact. energy: 3.027 local terms energy: -185.987505 where: bonds (distance) C4'-P energy: -60.600 bonds (distance) P-C4' energy: -59.544 flat angles C4'-P-C4' energy: -48.532 flat angles P-C4'-P energy: -32.739 tors. eta vs tors. theta energy: 15.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1108.855104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.855104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.855104 (E_RNA) where: Base-Base interactions energy: -785.632 where: short stacking energy: -325.077 Base-Backbone interact. energy: -1.605 local terms energy: -321.617330 where: bonds (distance) C4'-P energy: -47.040 bonds (distance) P-C4' energy: -66.047 flat angles C4'-P-C4' energy: -70.713 flat angles P-C4'-P energy: -43.265 tors. eta vs tors. theta energy: -94.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1083.446016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.446016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.446016 (E_RNA) where: Base-Base interactions energy: -761.370 where: short stacking energy: -299.343 Base-Backbone interact. energy: 1.455 local terms energy: -323.530876 where: bonds (distance) C4'-P energy: -62.473 bonds (distance) P-C4' energy: -58.483 flat angles C4'-P-C4' energy: -69.074 flat angles P-C4'-P energy: -47.113 tors. eta vs tors. theta energy: -86.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1056.994228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.994228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.994228 (E_RNA) where: Base-Base interactions energy: -727.407 where: short stacking energy: -294.114 Base-Backbone interact. energy: -1.175 local terms energy: -328.412332 where: bonds (distance) C4'-P energy: -54.851 bonds (distance) P-C4' energy: -67.199 flat angles C4'-P-C4' energy: -68.677 flat angles P-C4'-P energy: -43.780 tors. eta vs tors. theta energy: -93.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -979.851371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.851371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.851371 (E_RNA) where: Base-Base interactions energy: -653.533 where: short stacking energy: -314.864 Base-Backbone interact. energy: -1.185 local terms energy: -325.133011 where: bonds (distance) C4'-P energy: -54.435 bonds (distance) P-C4' energy: -58.984 flat angles C4'-P-C4' energy: -72.867 flat angles P-C4'-P energy: -43.600 tors. eta vs tors. theta energy: -95.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -911.541499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.541499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.541499 (E_RNA) where: Base-Base interactions energy: -600.114 where: short stacking energy: -256.340 Base-Backbone interact. energy: -1.551 local terms energy: -309.876607 where: bonds (distance) C4'-P energy: -52.132 bonds (distance) P-C4' energy: -68.058 flat angles C4'-P-C4' energy: -64.514 flat angles P-C4'-P energy: -48.957 tors. eta vs tors. theta energy: -76.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -830.344482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.344482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.344482 (E_RNA) where: Base-Base interactions energy: -559.670 where: short stacking energy: -245.089 Base-Backbone interact. energy: -1.453 local terms energy: -269.221647 where: bonds (distance) C4'-P energy: -56.211 bonds (distance) P-C4' energy: -52.146 flat angles C4'-P-C4' energy: -61.348 flat angles P-C4'-P energy: -42.857 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -783.586430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.586430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.586430 (E_RNA) where: Base-Base interactions energy: -515.746 where: short stacking energy: -237.979 Base-Backbone interact. energy: -1.201 local terms energy: -266.639588 where: bonds (distance) C4'-P energy: -51.489 bonds (distance) P-C4' energy: -55.647 flat angles C4'-P-C4' energy: -54.894 flat angles P-C4'-P energy: -39.330 tors. eta vs tors. theta energy: -65.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -557.414290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.414290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.414290 (E_RNA) where: Base-Base interactions energy: -324.070 where: short stacking energy: -180.317 Base-Backbone interact. energy: -0.411 local terms energy: -232.933567 where: bonds (distance) C4'-P energy: -48.787 bonds (distance) P-C4' energy: -54.646 flat angles C4'-P-C4' energy: -53.361 flat angles P-C4'-P energy: -41.176 tors. eta vs tors. theta energy: -34.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -413.199003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.199003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.199003 (E_RNA) where: Base-Base interactions energy: -207.587 where: short stacking energy: -112.093 Base-Backbone interact. energy: 6.183 local terms energy: -211.795081 where: bonds (distance) C4'-P energy: -54.224 bonds (distance) P-C4' energy: -50.943 flat angles C4'-P-C4' energy: -47.596 flat angles P-C4'-P energy: -32.948 tors. eta vs tors. theta energy: -26.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -294.786878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.786878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.786878 (E_RNA) where: Base-Base interactions energy: -110.323 where: short stacking energy: -97.179 Base-Backbone interact. energy: -0.227 local terms energy: -184.237667 where: bonds (distance) C4'-P energy: -56.412 bonds (distance) P-C4' energy: -45.320 flat angles C4'-P-C4' energy: -48.437 flat angles P-C4'-P energy: -36.349 tors. eta vs tors. theta energy: 2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1105.425885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.425885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.425885 (E_RNA) where: Base-Base interactions energy: -760.392 where: short stacking energy: -311.615 Base-Backbone interact. energy: 1.679 local terms energy: -346.713173 where: bonds (distance) C4'-P energy: -66.485 bonds (distance) P-C4' energy: -68.061 flat angles C4'-P-C4' energy: -68.811 flat angles P-C4'-P energy: -52.269 tors. eta vs tors. theta energy: -91.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1072.396040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.396040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.396040 (E_RNA) where: Base-Base interactions energy: -758.968 where: short stacking energy: -304.266 Base-Backbone interact. energy: 0.796 local terms energy: -314.223827 where: bonds (distance) C4'-P energy: -51.893 bonds (distance) P-C4' energy: -57.081 flat angles C4'-P-C4' energy: -68.402 flat angles P-C4'-P energy: -48.511 tors. eta vs tors. theta energy: -88.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1089.745620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.745620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.745620 (E_RNA) where: Base-Base interactions energy: -749.899 where: short stacking energy: -299.891 Base-Backbone interact. energy: -2.187 local terms energy: -337.660046 where: bonds (distance) C4'-P energy: -67.543 bonds (distance) P-C4' energy: -71.763 flat angles C4'-P-C4' energy: -66.855 flat angles P-C4'-P energy: -43.613 tors. eta vs tors. theta energy: -87.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -966.842591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.842591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.842591 (E_RNA) where: Base-Base interactions energy: -651.958 where: short stacking energy: -292.674 Base-Backbone interact. energy: -1.082 local terms energy: -313.802332 where: bonds (distance) C4'-P energy: -54.855 bonds (distance) P-C4' energy: -63.895 flat angles C4'-P-C4' energy: -66.913 flat angles P-C4'-P energy: -44.845 tors. eta vs tors. theta energy: -83.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -888.337918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.337918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.337918 (E_RNA) where: Base-Base interactions energy: -604.141 where: short stacking energy: -261.802 Base-Backbone interact. energy: 1.011 local terms energy: -285.207719 where: bonds (distance) C4'-P energy: -55.651 bonds (distance) P-C4' energy: -61.887 flat angles C4'-P-C4' energy: -55.653 flat angles P-C4'-P energy: -34.291 tors. eta vs tors. theta energy: -77.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -854.872818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.872818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.872818 (E_RNA) where: Base-Base interactions energy: -587.400 where: short stacking energy: -253.323 Base-Backbone interact. energy: -1.661 local terms energy: -265.811272 where: bonds (distance) C4'-P energy: -47.286 bonds (distance) P-C4' energy: -61.118 flat angles C4'-P-C4' energy: -56.870 flat angles P-C4'-P energy: -34.859 tors. eta vs tors. theta energy: -65.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -775.753479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.753479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.753479 (E_RNA) where: Base-Base interactions energy: -514.968 where: short stacking energy: -222.486 Base-Backbone interact. energy: -1.179 local terms energy: -259.606643 where: bonds (distance) C4'-P energy: -58.154 bonds (distance) P-C4' energy: -58.999 flat angles C4'-P-C4' energy: -52.948 flat angles P-C4'-P energy: -33.451 tors. eta vs tors. theta energy: -56.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -509.338233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.338233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.338233 (E_RNA) where: Base-Base interactions energy: -285.964 where: short stacking energy: -158.511 Base-Backbone interact. energy: -0.596 local terms energy: -222.778863 where: bonds (distance) C4'-P energy: -55.078 bonds (distance) P-C4' energy: -42.870 flat angles C4'-P-C4' energy: -59.894 flat angles P-C4'-P energy: -31.792 tors. eta vs tors. theta energy: -33.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -396.169272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.169272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.169272 (E_RNA) where: Base-Base interactions energy: -202.403 where: short stacking energy: -98.639 Base-Backbone interact. energy: 2.169 local terms energy: -195.935649 where: bonds (distance) C4'-P energy: -50.845 bonds (distance) P-C4' energy: -58.225 flat angles C4'-P-C4' energy: -48.845 flat angles P-C4'-P energy: -32.475 tors. eta vs tors. theta energy: -5.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -266.284942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.284942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.284942 (E_RNA) where: Base-Base interactions energy: -84.352 where: short stacking energy: -58.585 Base-Backbone interact. energy: 2.308 local terms energy: -184.240734 where: bonds (distance) C4'-P energy: -50.653 bonds (distance) P-C4' energy: -51.689 flat angles C4'-P-C4' energy: -49.674 flat angles P-C4'-P energy: -39.027 tors. eta vs tors. theta energy: 6.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1116.992464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.992464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.992464 (E_RNA) where: Base-Base interactions energy: -782.508 where: short stacking energy: -320.141 Base-Backbone interact. energy: -1.505 local terms energy: -332.979715 where: bonds (distance) C4'-P energy: -69.642 bonds (distance) P-C4' energy: -59.923 flat angles C4'-P-C4' energy: -64.879 flat angles P-C4'-P energy: -56.338 tors. eta vs tors. theta energy: -82.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1106.985051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.985051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.985051 (E_RNA) where: Base-Base interactions energy: -772.370 where: short stacking energy: -319.187 Base-Backbone interact. energy: 4.474 local terms energy: -339.088612 where: bonds (distance) C4'-P energy: -57.676 bonds (distance) P-C4' energy: -65.334 flat angles C4'-P-C4' energy: -71.621 flat angles P-C4'-P energy: -46.999 tors. eta vs tors. theta energy: -97.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1059.679062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.679062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.679062 (E_RNA) where: Base-Base interactions energy: -723.045 where: short stacking energy: -310.360 Base-Backbone interact. energy: -1.635 local terms energy: -334.999259 where: bonds (distance) C4'-P energy: -64.789 bonds (distance) P-C4' energy: -60.016 flat angles C4'-P-C4' energy: -72.366 flat angles P-C4'-P energy: -46.298 tors. eta vs tors. theta energy: -91.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -941.423557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.423557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.423557 (E_RNA) where: Base-Base interactions energy: -632.692 where: short stacking energy: -266.345 Base-Backbone interact. energy: -0.077 local terms energy: -308.654171 where: bonds (distance) C4'-P energy: -65.472 bonds (distance) P-C4' energy: -58.842 flat angles C4'-P-C4' energy: -67.643 flat angles P-C4'-P energy: -42.897 tors. eta vs tors. theta energy: -73.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -944.503272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.503272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.503272 (E_RNA) where: Base-Base interactions energy: -631.667 where: short stacking energy: -275.320 Base-Backbone interact. energy: -0.435 local terms energy: -312.401576 where: bonds (distance) C4'-P energy: -54.086 bonds (distance) P-C4' energy: -64.653 flat angles C4'-P-C4' energy: -69.760 flat angles P-C4'-P energy: -36.227 tors. eta vs tors. theta energy: -87.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -863.002875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.002875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.002875 (E_RNA) where: Base-Base interactions energy: -579.041 where: short stacking energy: -250.895 Base-Backbone interact. energy: -0.101 local terms energy: -283.860693 where: bonds (distance) C4'-P energy: -63.203 bonds (distance) P-C4' energy: -58.747 flat angles C4'-P-C4' energy: -63.251 flat angles P-C4'-P energy: -32.925 tors. eta vs tors. theta energy: -65.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -766.317412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.317412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.317412 (E_RNA) where: Base-Base interactions energy: -485.123 where: short stacking energy: -233.999 Base-Backbone interact. energy: 1.313 local terms energy: -282.506950 where: bonds (distance) C4'-P energy: -59.466 bonds (distance) P-C4' energy: -67.817 flat angles C4'-P-C4' energy: -55.669 flat angles P-C4'-P energy: -37.673 tors. eta vs tors. theta energy: -61.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -503.468149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.468149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.468149 (E_RNA) where: Base-Base interactions energy: -278.790 where: short stacking energy: -154.431 Base-Backbone interact. energy: -0.687 local terms energy: -223.990781 where: bonds (distance) C4'-P energy: -55.527 bonds (distance) P-C4' energy: -45.436 flat angles C4'-P-C4' energy: -69.134 flat angles P-C4'-P energy: -36.545 tors. eta vs tors. theta energy: -17.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -419.161331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.161331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.161331 (E_RNA) where: Base-Base interactions energy: -224.983 where: short stacking energy: -132.261 Base-Backbone interact. energy: -0.596 local terms energy: -193.582078 where: bonds (distance) C4'-P energy: -50.282 bonds (distance) P-C4' energy: -55.576 flat angles C4'-P-C4' energy: -47.363 flat angles P-C4'-P energy: -29.473 tors. eta vs tors. theta energy: -10.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -272.837465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.837465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.837465 (E_RNA) where: Base-Base interactions energy: -121.002 where: short stacking energy: -98.892 Base-Backbone interact. energy: -0.342 local terms energy: -151.494245 where: bonds (distance) C4'-P energy: -51.677 bonds (distance) P-C4' energy: -46.569 flat angles C4'-P-C4' energy: -36.713 flat angles P-C4'-P energy: -16.329 tors. eta vs tors. theta energy: -0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1121.542985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.542985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.542985 (E_RNA) where: Base-Base interactions energy: -783.097 where: short stacking energy: -322.927 Base-Backbone interact. energy: 0.431 local terms energy: -338.877032 where: bonds (distance) C4'-P energy: -61.744 bonds (distance) P-C4' energy: -71.197 flat angles C4'-P-C4' energy: -69.220 flat angles P-C4'-P energy: -49.838 tors. eta vs tors. theta energy: -86.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1104.910202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.910202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.910202 (E_RNA) where: Base-Base interactions energy: -756.378 where: short stacking energy: -304.693 Base-Backbone interact. energy: -1.687 local terms energy: -346.844824 where: bonds (distance) C4'-P energy: -70.323 bonds (distance) P-C4' energy: -64.359 flat angles C4'-P-C4' energy: -70.475 flat angles P-C4'-P energy: -45.494 tors. eta vs tors. theta energy: -96.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1073.922543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.922543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.922543 (E_RNA) where: Base-Base interactions energy: -761.472 where: short stacking energy: -332.882 Base-Backbone interact. energy: 4.298 local terms energy: -316.748549 where: bonds (distance) C4'-P energy: -50.212 bonds (distance) P-C4' energy: -56.714 flat angles C4'-P-C4' energy: -71.685 flat angles P-C4'-P energy: -39.868 tors. eta vs tors. theta energy: -98.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -937.887386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.887386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.887386 (E_RNA) where: Base-Base interactions energy: -635.811 where: short stacking energy: -277.596 Base-Backbone interact. energy: -2.618 local terms energy: -299.458353 where: bonds (distance) C4'-P energy: -59.691 bonds (distance) P-C4' energy: -59.568 flat angles C4'-P-C4' energy: -64.659 flat angles P-C4'-P energy: -38.488 tors. eta vs tors. theta energy: -77.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -952.328825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.328825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.328825 (E_RNA) where: Base-Base interactions energy: -640.488 where: short stacking energy: -269.776 Base-Backbone interact. energy: -0.932 local terms energy: -310.908854 where: bonds (distance) C4'-P energy: -62.725 bonds (distance) P-C4' energy: -52.947 flat angles C4'-P-C4' energy: -67.809 flat angles P-C4'-P energy: -37.582 tors. eta vs tors. theta energy: -89.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -829.779252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.779252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.779252 (E_RNA) where: Base-Base interactions energy: -568.828 where: short stacking energy: -261.151 Base-Backbone interact. energy: -0.446 local terms energy: -260.505199 where: bonds (distance) C4'-P energy: -42.044 bonds (distance) P-C4' energy: -56.040 flat angles C4'-P-C4' energy: -61.218 flat angles P-C4'-P energy: -34.513 tors. eta vs tors. theta energy: -66.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -749.310060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.310060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.310060 (E_RNA) where: Base-Base interactions energy: -480.084 where: short stacking energy: -221.428 Base-Backbone interact. energy: 4.315 local terms energy: -273.541445 where: bonds (distance) C4'-P energy: -50.678 bonds (distance) P-C4' energy: -60.863 flat angles C4'-P-C4' energy: -56.209 flat angles P-C4'-P energy: -45.197 tors. eta vs tors. theta energy: -60.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -496.980583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.980583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.980583 (E_RNA) where: Base-Base interactions energy: -288.570 where: short stacking energy: -152.693 Base-Backbone interact. energy: -0.983 local terms energy: -207.427464 where: bonds (distance) C4'-P energy: -48.540 bonds (distance) P-C4' energy: -64.110 flat angles C4'-P-C4' energy: -45.335 flat angles P-C4'-P energy: -29.954 tors. eta vs tors. theta energy: -19.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -419.152578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.152578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.152578 (E_RNA) where: Base-Base interactions energy: -211.831 where: short stacking energy: -125.095 Base-Backbone interact. energy: -0.783 local terms energy: -206.538269 where: bonds (distance) C4'-P energy: -55.308 bonds (distance) P-C4' energy: -51.615 flat angles C4'-P-C4' energy: -46.194 flat angles P-C4'-P energy: -38.381 tors. eta vs tors. theta energy: -15.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -284.344053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.344053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.344053 (E_RNA) where: Base-Base interactions energy: -104.481 where: short stacking energy: -77.989 Base-Backbone interact. energy: -0.747 local terms energy: -179.115917 where: bonds (distance) C4'-P energy: -47.436 bonds (distance) P-C4' energy: -63.369 flat angles C4'-P-C4' energy: -43.108 flat angles P-C4'-P energy: -32.811 tors. eta vs tors. theta energy: 7.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1124.551820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.551820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.551820 (E_RNA) where: Base-Base interactions energy: -799.700 where: short stacking energy: -329.337 Base-Backbone interact. energy: -0.886 local terms energy: -323.966221 where: bonds (distance) C4'-P energy: -71.077 bonds (distance) P-C4' energy: -50.208 flat angles C4'-P-C4' energy: -73.606 flat angles P-C4'-P energy: -44.652 tors. eta vs tors. theta energy: -84.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1097.333087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.333087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.333087 (E_RNA) where: Base-Base interactions energy: -755.400 where: short stacking energy: -314.077 Base-Backbone interact. energy: -1.083 local terms energy: -340.849399 where: bonds (distance) C4'-P energy: -60.912 bonds (distance) P-C4' energy: -69.427 flat angles C4'-P-C4' energy: -74.259 flat angles P-C4'-P energy: -42.941 tors. eta vs tors. theta energy: -93.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1095.416318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.416318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.416318 (E_RNA) where: Base-Base interactions energy: -773.492 where: short stacking energy: -303.436 Base-Backbone interact. energy: 1.741 local terms energy: -323.665438 where: bonds (distance) C4'-P energy: -62.778 bonds (distance) P-C4' energy: -61.350 flat angles C4'-P-C4' energy: -71.821 flat angles P-C4'-P energy: -42.181 tors. eta vs tors. theta energy: -85.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -946.723364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.723364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.723364 (E_RNA) where: Base-Base interactions energy: -632.682 where: short stacking energy: -290.678 Base-Backbone interact. energy: -1.085 local terms energy: -312.957262 where: bonds (distance) C4'-P energy: -52.018 bonds (distance) P-C4' energy: -57.974 flat angles C4'-P-C4' energy: -69.388 flat angles P-C4'-P energy: -44.347 tors. eta vs tors. theta energy: -89.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -924.950323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.950323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.950323 (E_RNA) where: Base-Base interactions energy: -604.877 where: short stacking energy: -277.678 Base-Backbone interact. energy: -1.571 local terms energy: -318.502454 where: bonds (distance) C4'-P energy: -62.324 bonds (distance) P-C4' energy: -62.638 flat angles C4'-P-C4' energy: -68.493 flat angles P-C4'-P energy: -41.071 tors. eta vs tors. theta energy: -83.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -857.099870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.099870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.099870 (E_RNA) where: Base-Base interactions energy: -560.142 where: short stacking energy: -273.015 Base-Backbone interact. energy: 1.083 local terms energy: -298.040583 where: bonds (distance) C4'-P energy: -48.538 bonds (distance) P-C4' energy: -64.013 flat angles C4'-P-C4' energy: -69.737 flat angles P-C4'-P energy: -45.112 tors. eta vs tors. theta energy: -70.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -775.728606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.728606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.728606 (E_RNA) where: Base-Base interactions energy: -486.698 where: short stacking energy: -240.450 Base-Backbone interact. energy: 0.721 local terms energy: -289.752154 where: bonds (distance) C4'-P energy: -51.517 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -66.530 flat angles P-C4'-P energy: -48.273 tors. eta vs tors. theta energy: -64.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -482.575295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.575295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.575295 (E_RNA) where: Base-Base interactions energy: -255.808 where: short stacking energy: -155.528 Base-Backbone interact. energy: -1.575 local terms energy: -225.192454 where: bonds (distance) C4'-P energy: -51.179 bonds (distance) P-C4' energy: -55.583 flat angles C4'-P-C4' energy: -60.514 flat angles P-C4'-P energy: -36.922 tors. eta vs tors. theta energy: -20.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -404.659919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.659919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.659919 (E_RNA) where: Base-Base interactions energy: -213.502 where: short stacking energy: -116.931 Base-Backbone interact. energy: 8.285 local terms energy: -199.442831 where: bonds (distance) C4'-P energy: -60.410 bonds (distance) P-C4' energy: -56.804 flat angles C4'-P-C4' energy: -48.876 flat angles P-C4'-P energy: -29.309 tors. eta vs tors. theta energy: -4.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -267.829820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.829820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.829820 (E_RNA) where: Base-Base interactions energy: -93.093 where: short stacking energy: -78.318 Base-Backbone interact. energy: -1.342 local terms energy: -173.395022 where: bonds (distance) C4'-P energy: -39.499 bonds (distance) P-C4' energy: -47.924 flat angles C4'-P-C4' energy: -56.474 flat angles P-C4'-P energy: -38.940 tors. eta vs tors. theta energy: 9.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1110.720386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.720386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.720386 (E_RNA) where: Base-Base interactions energy: -777.898 where: short stacking energy: -322.116 Base-Backbone interact. energy: -2.393 local terms energy: -330.428834 where: bonds (distance) C4'-P energy: -59.626 bonds (distance) P-C4' energy: -66.543 flat angles C4'-P-C4' energy: -64.751 flat angles P-C4'-P energy: -45.877 tors. eta vs tors. theta energy: -93.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1101.164258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.164258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.164258 (E_RNA) where: Base-Base interactions energy: -765.982 where: short stacking energy: -311.472 Base-Backbone interact. energy: -0.293 local terms energy: -334.889804 where: bonds (distance) C4'-P energy: -57.181 bonds (distance) P-C4' energy: -56.000 flat angles C4'-P-C4' energy: -75.615 flat angles P-C4'-P energy: -55.542 tors. eta vs tors. theta energy: -90.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1093.410716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.410716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.410716 (E_RNA) where: Base-Base interactions energy: -769.049 where: short stacking energy: -298.520 Base-Backbone interact. energy: -1.561 local terms energy: -322.800701 where: bonds (distance) C4'-P energy: -55.287 bonds (distance) P-C4' energy: -62.009 flat angles C4'-P-C4' energy: -72.244 flat angles P-C4'-P energy: -48.394 tors. eta vs tors. theta energy: -84.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -959.036609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.036609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.036609 (E_RNA) where: Base-Base interactions energy: -633.975 where: short stacking energy: -292.896 Base-Backbone interact. energy: -0.542 local terms energy: -324.519172 where: bonds (distance) C4'-P energy: -63.184 bonds (distance) P-C4' energy: -61.686 flat angles C4'-P-C4' energy: -67.520 flat angles P-C4'-P energy: -43.360 tors. eta vs tors. theta energy: -88.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -876.324989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.324989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.324989 (E_RNA) where: Base-Base interactions energy: -606.553 where: short stacking energy: -252.688 Base-Backbone interact. energy: 2.330 local terms energy: -272.101660 where: bonds (distance) C4'-P energy: -34.544 bonds (distance) P-C4' energy: -62.806 flat angles C4'-P-C4' energy: -57.213 flat angles P-C4'-P energy: -50.349 tors. eta vs tors. theta energy: -67.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -907.178256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.178256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.178256 (E_RNA) where: Base-Base interactions energy: -604.882 where: short stacking energy: -240.588 Base-Backbone interact. energy: -1.894 local terms energy: -300.401898 where: bonds (distance) C4'-P energy: -55.099 bonds (distance) P-C4' energy: -65.053 flat angles C4'-P-C4' energy: -63.270 flat angles P-C4'-P energy: -43.212 tors. eta vs tors. theta energy: -73.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -784.770412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.770412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.770412 (E_RNA) where: Base-Base interactions energy: -494.670 where: short stacking energy: -256.497 Base-Backbone interact. energy: -0.107 local terms energy: -289.994144 where: bonds (distance) C4'-P energy: -47.214 bonds (distance) P-C4' energy: -51.713 flat angles C4'-P-C4' energy: -65.995 flat angles P-C4'-P energy: -44.890 tors. eta vs tors. theta energy: -80.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -483.998004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.998004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.998004 (E_RNA) where: Base-Base interactions energy: -253.842 where: short stacking energy: -151.525 Base-Backbone interact. energy: 1.813 local terms energy: -231.969401 where: bonds (distance) C4'-P energy: -49.321 bonds (distance) P-C4' energy: -55.060 flat angles C4'-P-C4' energy: -68.814 flat angles P-C4'-P energy: -27.216 tors. eta vs tors. theta energy: -31.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -398.733801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.733801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.733801 (E_RNA) where: Base-Base interactions energy: -206.338 where: short stacking energy: -120.204 Base-Backbone interact. energy: -1.601 local terms energy: -190.795735 where: bonds (distance) C4'-P energy: -55.526 bonds (distance) P-C4' energy: -53.751 flat angles C4'-P-C4' energy: -50.068 flat angles P-C4'-P energy: -29.834 tors. eta vs tors. theta energy: -1.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -248.552644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.552644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.552644 (E_RNA) where: Base-Base interactions energy: -79.171 where: short stacking energy: -52.207 Base-Backbone interact. energy: -0.553 local terms energy: -168.828612 where: bonds (distance) C4'-P energy: -50.825 bonds (distance) P-C4' energy: -66.572 flat angles C4'-P-C4' energy: -46.516 flat angles P-C4'-P energy: -21.938 tors. eta vs tors. theta energy: 17.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1083.898331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.898331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.898331 (E_RNA) where: Base-Base interactions energy: -760.067 where: short stacking energy: -317.484 Base-Backbone interact. energy: -0.138 local terms energy: -323.693218 where: bonds (distance) C4'-P energy: -51.932 bonds (distance) P-C4' energy: -56.996 flat angles C4'-P-C4' energy: -67.217 flat angles P-C4'-P energy: -56.637 tors. eta vs tors. theta energy: -90.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1114.149958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.149958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.149958 (E_RNA) where: Base-Base interactions energy: -772.338 where: short stacking energy: -315.553 Base-Backbone interact. energy: -1.052 local terms energy: -340.760146 where: bonds (distance) C4'-P energy: -70.423 bonds (distance) P-C4' energy: -60.577 flat angles C4'-P-C4' energy: -70.359 flat angles P-C4'-P energy: -46.142 tors. eta vs tors. theta energy: -93.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1062.301746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.301746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.301746 (E_RNA) where: Base-Base interactions energy: -743.368 where: short stacking energy: -310.024 Base-Backbone interact. energy: -1.741 local terms energy: -317.192738 where: bonds (distance) C4'-P energy: -53.445 bonds (distance) P-C4' energy: -56.649 flat angles C4'-P-C4' energy: -70.944 flat angles P-C4'-P energy: -46.820 tors. eta vs tors. theta energy: -89.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -963.664325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.664325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.664325 (E_RNA) where: Base-Base interactions energy: -652.985 where: short stacking energy: -281.866 Base-Backbone interact. energy: -0.075 local terms energy: -310.603487 where: bonds (distance) C4'-P energy: -54.144 bonds (distance) P-C4' energy: -62.588 flat angles C4'-P-C4' energy: -66.296 flat angles P-C4'-P energy: -45.291 tors. eta vs tors. theta energy: -82.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -881.549054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.549054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.549054 (E_RNA) where: Base-Base interactions energy: -584.773 where: short stacking energy: -260.452 Base-Backbone interact. energy: -2.110 local terms energy: -294.666005 where: bonds (distance) C4'-P energy: -59.222 bonds (distance) P-C4' energy: -63.381 flat angles C4'-P-C4' energy: -68.147 flat angles P-C4'-P energy: -42.221 tors. eta vs tors. theta energy: -61.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -904.621765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.621765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.621765 (E_RNA) where: Base-Base interactions energy: -616.059 where: short stacking energy: -253.811 Base-Backbone interact. energy: 1.824 local terms energy: -290.386419 where: bonds (distance) C4'-P energy: -53.414 bonds (distance) P-C4' energy: -56.553 flat angles C4'-P-C4' energy: -65.382 flat angles P-C4'-P energy: -44.617 tors. eta vs tors. theta energy: -70.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -772.624389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.624389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.624389 (E_RNA) where: Base-Base interactions energy: -504.831 where: short stacking energy: -240.826 Base-Backbone interact. energy: -0.337 local terms energy: -267.455989 where: bonds (distance) C4'-P energy: -44.693 bonds (distance) P-C4' energy: -61.959 flat angles C4'-P-C4' energy: -55.432 flat angles P-C4'-P energy: -39.588 tors. eta vs tors. theta energy: -65.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -483.839639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.839639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.839639 (E_RNA) where: Base-Base interactions energy: -248.762 where: short stacking energy: -142.987 Base-Backbone interact. energy: -0.669 local terms energy: -234.408437 where: bonds (distance) C4'-P energy: -48.997 bonds (distance) P-C4' energy: -61.815 flat angles C4'-P-C4' energy: -60.311 flat angles P-C4'-P energy: -39.946 tors. eta vs tors. theta energy: -23.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -425.870028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.870028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.870028 (E_RNA) where: Base-Base interactions energy: -229.041 where: short stacking energy: -121.712 Base-Backbone interact. energy: -0.522 local terms energy: -196.307312 where: bonds (distance) C4'-P energy: -46.408 bonds (distance) P-C4' energy: -59.576 flat angles C4'-P-C4' energy: -46.141 flat angles P-C4'-P energy: -31.975 tors. eta vs tors. theta energy: -12.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -277.585770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.585770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.585770 (E_RNA) where: Base-Base interactions energy: -93.792 where: short stacking energy: -56.968 Base-Backbone interact. energy: 0.266 local terms energy: -184.059070 where: bonds (distance) C4'-P energy: -66.168 bonds (distance) P-C4' energy: -61.466 flat angles C4'-P-C4' energy: -43.352 flat angles P-C4'-P energy: -28.080 tors. eta vs tors. theta energy: 15.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1132.213567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.213567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.213567 (E_RNA) where: Base-Base interactions energy: -785.845 where: short stacking energy: -315.896 Base-Backbone interact. energy: -1.319 local terms energy: -345.050067 where: bonds (distance) C4'-P energy: -61.853 bonds (distance) P-C4' energy: -69.265 flat angles C4'-P-C4' energy: -71.447 flat angles P-C4'-P energy: -53.887 tors. eta vs tors. theta energy: -88.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1075.555284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.555284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.555284 (E_RNA) where: Base-Base interactions energy: -758.111 where: short stacking energy: -313.452 Base-Backbone interact. energy: 1.960 local terms energy: -319.404715 where: bonds (distance) C4'-P energy: -57.066 bonds (distance) P-C4' energy: -57.526 flat angles C4'-P-C4' energy: -71.577 flat angles P-C4'-P energy: -45.741 tors. eta vs tors. theta energy: -87.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1072.872599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.872599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.872599 (E_RNA) where: Base-Base interactions energy: -756.151 where: short stacking energy: -300.353 Base-Backbone interact. energy: -1.641 local terms energy: -315.081435 where: bonds (distance) C4'-P energy: -58.969 bonds (distance) P-C4' energy: -56.642 flat angles C4'-P-C4' energy: -69.305 flat angles P-C4'-P energy: -36.822 tors. eta vs tors. theta energy: -93.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -918.911085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.911085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.911085 (E_RNA) where: Base-Base interactions energy: -609.167 where: short stacking energy: -282.433 Base-Backbone interact. energy: -0.872 local terms energy: -308.871908 where: bonds (distance) C4'-P energy: -48.172 bonds (distance) P-C4' energy: -59.047 flat angles C4'-P-C4' energy: -72.470 flat angles P-C4'-P energy: -39.542 tors. eta vs tors. theta energy: -89.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -929.666030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.666030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.666030 (E_RNA) where: Base-Base interactions energy: -632.357 where: short stacking energy: -248.932 Base-Backbone interact. energy: -1.813 local terms energy: -295.496378 where: bonds (distance) C4'-P energy: -54.502 bonds (distance) P-C4' energy: -58.634 flat angles C4'-P-C4' energy: -63.000 flat angles P-C4'-P energy: -42.835 tors. eta vs tors. theta energy: -76.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -879.256564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.256564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.256564 (E_RNA) where: Base-Base interactions energy: -586.124 where: short stacking energy: -249.139 Base-Backbone interact. energy: -1.831 local terms energy: -291.301381 where: bonds (distance) C4'-P energy: -52.384 bonds (distance) P-C4' energy: -64.379 flat angles C4'-P-C4' energy: -65.938 flat angles P-C4'-P energy: -43.875 tors. eta vs tors. theta energy: -64.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -747.869959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.869959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.869959 (E_RNA) where: Base-Base interactions energy: -459.441 where: short stacking energy: -210.073 Base-Backbone interact. energy: -0.775 local terms energy: -287.654366 where: bonds (distance) C4'-P energy: -53.027 bonds (distance) P-C4' energy: -59.316 flat angles C4'-P-C4' energy: -63.777 flat angles P-C4'-P energy: -44.566 tors. eta vs tors. theta energy: -66.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -442.201601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.201601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.201601 (E_RNA) where: Base-Base interactions energy: -222.716 where: short stacking energy: -122.046 Base-Backbone interact. energy: -0.866 local terms energy: -218.619202 where: bonds (distance) C4'-P energy: -64.499 bonds (distance) P-C4' energy: -50.125 flat angles C4'-P-C4' energy: -51.372 flat angles P-C4'-P energy: -35.252 tors. eta vs tors. theta energy: -17.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -479.469934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.469934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.469934 (E_RNA) where: Base-Base interactions energy: -241.798 where: short stacking energy: -135.260 Base-Backbone interact. energy: 2.004 local terms energy: -239.676154 where: bonds (distance) C4'-P energy: -54.404 bonds (distance) P-C4' energy: -55.385 flat angles C4'-P-C4' energy: -51.844 flat angles P-C4'-P energy: -47.798 tors. eta vs tors. theta energy: -30.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -337.942135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.942135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.942135 (E_RNA) where: Base-Base interactions energy: -145.004 where: short stacking energy: -89.724 Base-Backbone interact. energy: -0.808 local terms energy: -192.130785 where: bonds (distance) C4'-P energy: -58.173 bonds (distance) P-C4' energy: -61.404 flat angles C4'-P-C4' energy: -43.794 flat angles P-C4'-P energy: -25.807 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1123.394394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.394394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.394394 (E_RNA) where: Base-Base interactions energy: -773.486 where: short stacking energy: -316.259 Base-Backbone interact. energy: -2.189 local terms energy: -347.719889 where: bonds (distance) C4'-P energy: -61.234 bonds (distance) P-C4' energy: -75.362 flat angles C4'-P-C4' energy: -69.041 flat angles P-C4'-P energy: -47.214 tors. eta vs tors. theta energy: -94.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1072.289383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.289383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.289383 (E_RNA) where: Base-Base interactions energy: -740.259 where: short stacking energy: -308.187 Base-Backbone interact. energy: -1.852 local terms energy: -330.179135 where: bonds (distance) C4'-P energy: -59.229 bonds (distance) P-C4' energy: -62.613 flat angles C4'-P-C4' energy: -75.116 flat angles P-C4'-P energy: -47.397 tors. eta vs tors. theta energy: -85.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1084.503414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.503414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.503414 (E_RNA) where: Base-Base interactions energy: -749.373 where: short stacking energy: -302.713 Base-Backbone interact. energy: -1.130 local terms energy: -334.000203 where: bonds (distance) C4'-P energy: -64.132 bonds (distance) P-C4' energy: -69.204 flat angles C4'-P-C4' energy: -68.471 flat angles P-C4'-P energy: -41.427 tors. eta vs tors. theta energy: -90.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -961.845128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.845128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.845128 (E_RNA) where: Base-Base interactions energy: -643.882 where: short stacking energy: -270.396 Base-Backbone interact. energy: -0.898 local terms energy: -317.065628 where: bonds (distance) C4'-P energy: -56.430 bonds (distance) P-C4' energy: -61.763 flat angles C4'-P-C4' energy: -75.899 flat angles P-C4'-P energy: -45.201 tors. eta vs tors. theta energy: -77.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -897.446901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.446901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.446901 (E_RNA) where: Base-Base interactions energy: -608.797 where: short stacking energy: -266.941 Base-Backbone interact. energy: -1.563 local terms energy: -287.086402 where: bonds (distance) C4'-P energy: -50.986 bonds (distance) P-C4' energy: -56.207 flat angles C4'-P-C4' energy: -65.263 flat angles P-C4'-P energy: -34.247 tors. eta vs tors. theta energy: -80.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -847.086946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.086946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.086946 (E_RNA) where: Base-Base interactions energy: -567.258 where: short stacking energy: -234.421 Base-Backbone interact. energy: -1.185 local terms energy: -278.643908 where: bonds (distance) C4'-P energy: -59.840 bonds (distance) P-C4' energy: -68.959 flat angles C4'-P-C4' energy: -52.557 flat angles P-C4'-P energy: -38.909 tors. eta vs tors. theta energy: -58.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -752.489451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.489451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.489451 (E_RNA) where: Base-Base interactions energy: -477.701 where: short stacking energy: -225.321 Base-Backbone interact. energy: -0.673 local terms energy: -274.115510 where: bonds (distance) C4'-P energy: -61.961 bonds (distance) P-C4' energy: -62.397 flat angles C4'-P-C4' energy: -61.694 flat angles P-C4'-P energy: -31.633 tors. eta vs tors. theta energy: -56.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -527.816438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.816438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.816438 (E_RNA) where: Base-Base interactions energy: -296.302 where: short stacking energy: -158.550 Base-Backbone interact. energy: -1.711 local terms energy: -229.803388 where: bonds (distance) C4'-P energy: -49.247 bonds (distance) P-C4' energy: -62.637 flat angles C4'-P-C4' energy: -50.929 flat angles P-C4'-P energy: -36.876 tors. eta vs tors. theta energy: -30.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -419.088869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.088869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.088869 (E_RNA) where: Base-Base interactions energy: -215.059 where: short stacking energy: -103.038 Base-Backbone interact. energy: -1.835 local terms energy: -202.195587 where: bonds (distance) C4'-P energy: -59.799 bonds (distance) P-C4' energy: -56.088 flat angles C4'-P-C4' energy: -35.516 flat angles P-C4'-P energy: -41.352 tors. eta vs tors. theta energy: -9.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -339.573481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.573481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.573481 (E_RNA) where: Base-Base interactions energy: -154.751 where: short stacking energy: -75.577 Base-Backbone interact. energy: -0.518 local terms energy: -184.305304 where: bonds (distance) C4'-P energy: -55.396 bonds (distance) P-C4' energy: -47.751 flat angles C4'-P-C4' energy: -48.289 flat angles P-C4'-P energy: -33.581 tors. eta vs tors. theta energy: 0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1131.355469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.355469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.355469 (E_RNA) where: Base-Base interactions energy: -788.317 where: short stacking energy: -329.622 Base-Backbone interact. energy: 1.379 local terms energy: -344.417799 where: bonds (distance) C4'-P energy: -62.208 bonds (distance) P-C4' energy: -62.810 flat angles C4'-P-C4' energy: -77.761 flat angles P-C4'-P energy: -47.359 tors. eta vs tors. theta energy: -94.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1082.534784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.534784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.534784 (E_RNA) where: Base-Base interactions energy: -749.934 where: short stacking energy: -304.441 Base-Backbone interact. energy: -1.109 local terms energy: -331.491391 where: bonds (distance) C4'-P energy: -58.202 bonds (distance) P-C4' energy: -72.306 flat angles C4'-P-C4' energy: -64.441 flat angles P-C4'-P energy: -51.094 tors. eta vs tors. theta energy: -85.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1066.494089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.494089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.494089 (E_RNA) where: Base-Base interactions energy: -745.209 where: short stacking energy: -318.937 Base-Backbone interact. energy: -1.061 local terms energy: -320.223990 where: bonds (distance) C4'-P energy: -65.529 bonds (distance) P-C4' energy: -50.466 flat angles C4'-P-C4' energy: -72.485 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: -89.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -952.999329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.999329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.999329 (E_RNA) where: Base-Base interactions energy: -639.069 where: short stacking energy: -259.306 Base-Backbone interact. energy: -2.219 local terms energy: -311.711074 where: bonds (distance) C4'-P energy: -64.065 bonds (distance) P-C4' energy: -61.330 flat angles C4'-P-C4' energy: -67.683 flat angles P-C4'-P energy: -36.156 tors. eta vs tors. theta energy: -82.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -956.947180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.947180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.947180 (E_RNA) where: Base-Base interactions energy: -657.785 where: short stacking energy: -303.820 Base-Backbone interact. energy: 0.338 local terms energy: -299.500501 where: bonds (distance) C4'-P energy: -51.929 bonds (distance) P-C4' energy: -57.699 flat angles C4'-P-C4' energy: -58.870 flat angles P-C4'-P energy: -46.340 tors. eta vs tors. theta energy: -84.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -854.528195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.528195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.528195 (E_RNA) where: Base-Base interactions energy: -591.862 where: short stacking energy: -226.941 Base-Backbone interact. energy: -1.759 local terms energy: -260.906924 where: bonds (distance) C4'-P energy: -44.792 bonds (distance) P-C4' energy: -56.967 flat angles C4'-P-C4' energy: -63.597 flat angles P-C4'-P energy: -39.193 tors. eta vs tors. theta energy: -56.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -705.226163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.226163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.226163 (E_RNA) where: Base-Base interactions energy: -431.550 where: short stacking energy: -199.730 Base-Backbone interact. energy: -0.308 local terms energy: -273.368564 where: bonds (distance) C4'-P energy: -62.415 bonds (distance) P-C4' energy: -59.687 flat angles C4'-P-C4' energy: -61.391 flat angles P-C4'-P energy: -41.391 tors. eta vs tors. theta energy: -48.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -455.134779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.134779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.134779 (E_RNA) where: Base-Base interactions energy: -255.227 where: short stacking energy: -143.961 Base-Backbone interact. energy: -0.931 local terms energy: -198.977065 where: bonds (distance) C4'-P energy: -54.002 bonds (distance) P-C4' energy: -55.770 flat angles C4'-P-C4' energy: -45.800 flat angles P-C4'-P energy: -23.017 tors. eta vs tors. theta energy: -20.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -419.972059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.972059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.972059 (E_RNA) where: Base-Base interactions energy: -210.346 where: short stacking energy: -117.848 Base-Backbone interact. energy: -0.203 local terms energy: -209.423236 where: bonds (distance) C4'-P energy: -56.402 bonds (distance) P-C4' energy: -57.438 flat angles C4'-P-C4' energy: -54.684 flat angles P-C4'-P energy: -31.314 tors. eta vs tors. theta energy: -9.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -287.354809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.354809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.354809 (E_RNA) where: Base-Base interactions energy: -115.473 where: short stacking energy: -80.408 Base-Backbone interact. energy: -1.377 local terms energy: -170.504825 where: bonds (distance) C4'-P energy: -49.800 bonds (distance) P-C4' energy: -48.102 flat angles C4'-P-C4' energy: -49.995 flat angles P-C4'-P energy: -27.202 tors. eta vs tors. theta energy: 4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1145.465931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.465931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.465931 (E_RNA) where: Base-Base interactions energy: -800.903 where: short stacking energy: -330.757 Base-Backbone interact. energy: -1.139 local terms energy: -343.424462 where: bonds (distance) C4'-P energy: -67.827 bonds (distance) P-C4' energy: -60.760 flat angles C4'-P-C4' energy: -82.705 flat angles P-C4'-P energy: -34.630 tors. eta vs tors. theta energy: -97.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1118.316795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.316795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.316795 (E_RNA) where: Base-Base interactions energy: -780.946 where: short stacking energy: -333.165 Base-Backbone interact. energy: -1.060 local terms energy: -336.310854 where: bonds (distance) C4'-P energy: -60.745 bonds (distance) P-C4' energy: -59.028 flat angles C4'-P-C4' energy: -74.026 flat angles P-C4'-P energy: -46.856 tors. eta vs tors. theta energy: -95.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1069.122764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.122764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.122764 (E_RNA) where: Base-Base interactions energy: -736.376 where: short stacking energy: -299.527 Base-Backbone interact. energy: -2.668 local terms energy: -330.079568 where: bonds (distance) C4'-P energy: -67.335 bonds (distance) P-C4' energy: -60.931 flat angles C4'-P-C4' energy: -66.656 flat angles P-C4'-P energy: -47.177 tors. eta vs tors. theta energy: -87.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -975.074649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.074649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.074649 (E_RNA) where: Base-Base interactions energy: -653.631 where: short stacking energy: -287.378 Base-Backbone interact. energy: -1.832 local terms energy: -319.612332 where: bonds (distance) C4'-P energy: -62.768 bonds (distance) P-C4' energy: -65.017 flat angles C4'-P-C4' energy: -59.760 flat angles P-C4'-P energy: -41.274 tors. eta vs tors. theta energy: -90.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -925.494771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.494771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.494771 (E_RNA) where: Base-Base interactions energy: -617.014 where: short stacking energy: -275.595 Base-Backbone interact. energy: -0.418 local terms energy: -308.062748 where: bonds (distance) C4'-P energy: -53.993 bonds (distance) P-C4' energy: -57.656 flat angles C4'-P-C4' energy: -71.002 flat angles P-C4'-P energy: -43.516 tors. eta vs tors. theta energy: -81.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -818.871360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.871360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.871360 (E_RNA) where: Base-Base interactions energy: -559.704 where: short stacking energy: -253.062 Base-Backbone interact. energy: -2.280 local terms energy: -256.887956 where: bonds (distance) C4'-P energy: -58.348 bonds (distance) P-C4' energy: -64.054 flat angles C4'-P-C4' energy: -53.690 flat angles P-C4'-P energy: -33.559 tors. eta vs tors. theta energy: -47.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -742.893461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.893461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.893461 (E_RNA) where: Base-Base interactions energy: -480.689 where: short stacking energy: -222.014 Base-Backbone interact. energy: -0.995 local terms energy: -261.209236 where: bonds (distance) C4'-P energy: -50.842 bonds (distance) P-C4' energy: -49.252 flat angles C4'-P-C4' energy: -62.103 flat angles P-C4'-P energy: -37.208 tors. eta vs tors. theta energy: -61.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -411.430576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.430576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.430576 (E_RNA) where: Base-Base interactions energy: -213.599 where: short stacking energy: -121.257 Base-Backbone interact. energy: 0.749 local terms energy: -198.580950 where: bonds (distance) C4'-P energy: -68.086 bonds (distance) P-C4' energy: -47.659 flat angles C4'-P-C4' energy: -40.468 flat angles P-C4'-P energy: -32.076 tors. eta vs tors. theta energy: -10.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -444.139105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.139105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.139105 (E_RNA) where: Base-Base interactions energy: -220.886 where: short stacking energy: -134.680 Base-Backbone interact. energy: -1.855 local terms energy: -221.397585 where: bonds (distance) C4'-P energy: -47.691 bonds (distance) P-C4' energy: -59.987 flat angles C4'-P-C4' energy: -54.322 flat angles P-C4'-P energy: -45.287 tors. eta vs tors. theta energy: -14.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -279.223274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.223274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.223274 (E_RNA) where: Base-Base interactions energy: -100.562 where: short stacking energy: -71.624 Base-Backbone interact. energy: 0.371 local terms energy: -179.032490 where: bonds (distance) C4'-P energy: -61.027 bonds (distance) P-C4' energy: -57.896 flat angles C4'-P-C4' energy: -26.832 flat angles P-C4'-P energy: -38.171 tors. eta vs tors. theta energy: 4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1127.538487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.538487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.538487 (E_RNA) where: Base-Base interactions energy: -806.465 where: short stacking energy: -327.431 Base-Backbone interact. energy: 1.368 local terms energy: -322.441324 where: bonds (distance) C4'-P energy: -50.137 bonds (distance) P-C4' energy: -56.711 flat angles C4'-P-C4' energy: -76.145 flat angles P-C4'-P energy: -51.723 tors. eta vs tors. theta energy: -87.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1118.653497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.653497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.653497 (E_RNA) where: Base-Base interactions energy: -789.349 where: short stacking energy: -335.504 Base-Backbone interact. energy: -0.084 local terms energy: -329.219887 where: bonds (distance) C4'-P energy: -56.038 bonds (distance) P-C4' energy: -69.371 flat angles C4'-P-C4' energy: -70.572 flat angles P-C4'-P energy: -39.312 tors. eta vs tors. theta energy: -93.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1074.615086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.615086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.615086 (E_RNA) where: Base-Base interactions energy: -759.879 where: short stacking energy: -310.572 Base-Backbone interact. energy: -0.765 local terms energy: -313.970841 where: bonds (distance) C4'-P energy: -63.819 bonds (distance) P-C4' energy: -58.319 flat angles C4'-P-C4' energy: -64.936 flat angles P-C4'-P energy: -39.950 tors. eta vs tors. theta energy: -86.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -979.326970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.326970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.326970 (E_RNA) where: Base-Base interactions energy: -666.344 where: short stacking energy: -298.323 Base-Backbone interact. energy: -2.524 local terms energy: -310.458910 where: bonds (distance) C4'-P energy: -59.336 bonds (distance) P-C4' energy: -57.414 flat angles C4'-P-C4' energy: -60.568 flat angles P-C4'-P energy: -44.081 tors. eta vs tors. theta energy: -89.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -936.216058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.216058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.216058 (E_RNA) where: Base-Base interactions energy: -633.173 where: short stacking energy: -261.465 Base-Backbone interact. energy: -1.709 local terms energy: -301.333699 where: bonds (distance) C4'-P energy: -59.353 bonds (distance) P-C4' energy: -53.265 flat angles C4'-P-C4' energy: -55.577 flat angles P-C4'-P energy: -49.021 tors. eta vs tors. theta energy: -84.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -801.602918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.602918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.602918 (E_RNA) where: Base-Base interactions energy: -527.635 where: short stacking energy: -244.389 Base-Backbone interact. energy: -0.822 local terms energy: -273.145320 where: bonds (distance) C4'-P energy: -44.137 bonds (distance) P-C4' energy: -61.328 flat angles C4'-P-C4' energy: -63.958 flat angles P-C4'-P energy: -46.387 tors. eta vs tors. theta energy: -57.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -698.317545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.317545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.317545 (E_RNA) where: Base-Base interactions energy: -459.899 where: short stacking energy: -200.030 Base-Backbone interact. energy: -0.877 local terms energy: -237.540701 where: bonds (distance) C4'-P energy: -54.826 bonds (distance) P-C4' energy: -51.743 flat angles C4'-P-C4' energy: -61.341 flat angles P-C4'-P energy: -33.467 tors. eta vs tors. theta energy: -36.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -450.963084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.963084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.963084 (E_RNA) where: Base-Base interactions energy: -219.469 where: short stacking energy: -154.588 Base-Backbone interact. energy: -1.246 local terms energy: -230.248189 where: bonds (distance) C4'-P energy: -52.769 bonds (distance) P-C4' energy: -58.438 flat angles C4'-P-C4' energy: -48.688 flat angles P-C4'-P energy: -40.832 tors. eta vs tors. theta energy: -29.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -366.067955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.067955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.067955 (E_RNA) where: Base-Base interactions energy: -190.636 where: short stacking energy: -117.120 Base-Backbone interact. energy: 0.262 local terms energy: -175.693324 where: bonds (distance) C4'-P energy: -48.716 bonds (distance) P-C4' energy: -51.228 flat angles C4'-P-C4' energy: -47.353 flat angles P-C4'-P energy: -24.919 tors. eta vs tors. theta energy: -3.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -278.163142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.163142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.163142 (E_RNA) where: Base-Base interactions energy: -114.435 where: short stacking energy: -92.535 Base-Backbone interact. energy: -0.482 local terms energy: -163.246702 where: bonds (distance) C4'-P energy: -49.470 bonds (distance) P-C4' energy: -49.055 flat angles C4'-P-C4' energy: -32.542 flat angles P-C4'-P energy: -26.309 tors. eta vs tors. theta energy: -5.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1150.410986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.410986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.410986 (E_RNA) where: Base-Base interactions energy: -795.311 where: short stacking energy: -334.701 Base-Backbone interact. energy: -0.948 local terms energy: -354.152168 where: bonds (distance) C4'-P energy: -66.467 bonds (distance) P-C4' energy: -67.151 flat angles C4'-P-C4' energy: -78.601 flat angles P-C4'-P energy: -47.505 tors. eta vs tors. theta energy: -94.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1109.489061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.489061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.489061 (E_RNA) where: Base-Base interactions energy: -774.846 where: short stacking energy: -334.119 Base-Backbone interact. energy: -0.839 local terms energy: -333.803743 where: bonds (distance) C4'-P energy: -52.635 bonds (distance) P-C4' energy: -64.526 flat angles C4'-P-C4' energy: -71.753 flat angles P-C4'-P energy: -49.375 tors. eta vs tors. theta energy: -95.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1065.609410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.609410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.609410 (E_RNA) where: Base-Base interactions energy: -752.704 where: short stacking energy: -310.919 Base-Backbone interact. energy: 1.035 local terms energy: -313.940565 where: bonds (distance) C4'-P energy: -62.711 bonds (distance) P-C4' energy: -55.259 flat angles C4'-P-C4' energy: -67.929 flat angles P-C4'-P energy: -44.590 tors. eta vs tors. theta energy: -83.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -974.583278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.583278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.583278 (E_RNA) where: Base-Base interactions energy: -639.296 where: short stacking energy: -284.973 Base-Backbone interact. energy: 0.153 local terms energy: -335.439467 where: bonds (distance) C4'-P energy: -70.140 bonds (distance) P-C4' energy: -67.655 flat angles C4'-P-C4' energy: -71.496 flat angles P-C4'-P energy: -40.864 tors. eta vs tors. theta energy: -85.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -958.385174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.385174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.385174 (E_RNA) where: Base-Base interactions energy: -660.446 where: short stacking energy: -273.733 Base-Backbone interact. energy: -0.333 local terms energy: -297.605968 where: bonds (distance) C4'-P energy: -54.632 bonds (distance) P-C4' energy: -58.534 flat angles C4'-P-C4' energy: -57.741 flat angles P-C4'-P energy: -46.915 tors. eta vs tors. theta energy: -79.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -817.779641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.779641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.779641 (E_RNA) where: Base-Base interactions energy: -534.456 where: short stacking energy: -239.860 Base-Backbone interact. energy: -1.094 local terms energy: -282.230272 where: bonds (distance) C4'-P energy: -49.513 bonds (distance) P-C4' energy: -66.845 flat angles C4'-P-C4' energy: -61.463 flat angles P-C4'-P energy: -44.673 tors. eta vs tors. theta energy: -59.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -803.606074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.606074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.606074 (E_RNA) where: Base-Base interactions energy: -550.274 where: short stacking energy: -240.731 Base-Backbone interact. energy: -0.492 local terms energy: -252.840419 where: bonds (distance) C4'-P energy: -37.941 bonds (distance) P-C4' energy: -46.613 flat angles C4'-P-C4' energy: -58.639 flat angles P-C4'-P energy: -46.923 tors. eta vs tors. theta energy: -62.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -495.597131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.597131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.597131 (E_RNA) where: Base-Base interactions energy: -281.508 where: short stacking energy: -129.687 Base-Backbone interact. energy: -0.364 local terms energy: -213.725384 where: bonds (distance) C4'-P energy: -53.757 bonds (distance) P-C4' energy: -51.629 flat angles C4'-P-C4' energy: -50.817 flat angles P-C4'-P energy: -33.553 tors. eta vs tors. theta energy: -23.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -379.248502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.248502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.248502 (E_RNA) where: Base-Base interactions energy: -184.895 where: short stacking energy: -121.066 Base-Backbone interact. energy: 0.263 local terms energy: -194.615838 where: bonds (distance) C4'-P energy: -51.331 bonds (distance) P-C4' energy: -56.082 flat angles C4'-P-C4' energy: -50.642 flat angles P-C4'-P energy: -34.311 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -301.476232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.476232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.476232 (E_RNA) where: Base-Base interactions energy: -130.993 where: short stacking energy: -74.934 Base-Backbone interact. energy: -0.702 local terms energy: -169.781180 where: bonds (distance) C4'-P energy: -38.905 bonds (distance) P-C4' energy: -64.856 flat angles C4'-P-C4' energy: -41.667 flat angles P-C4'-P energy: -31.815 tors. eta vs tors. theta energy: 7.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1115.399002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.399002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.399002 (E_RNA) where: Base-Base interactions energy: -780.713 where: short stacking energy: -306.755 Base-Backbone interact. energy: -3.070 local terms energy: -331.615989 where: bonds (distance) C4'-P energy: -64.608 bonds (distance) P-C4' energy: -61.479 flat angles C4'-P-C4' energy: -71.725 flat angles P-C4'-P energy: -46.807 tors. eta vs tors. theta energy: -86.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1114.478562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.478562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.478562 (E_RNA) where: Base-Base interactions energy: -780.623 where: short stacking energy: -325.544 Base-Backbone interact. energy: -0.543 local terms energy: -333.313173 where: bonds (distance) C4'-P energy: -60.095 bonds (distance) P-C4' energy: -61.153 flat angles C4'-P-C4' energy: -71.606 flat angles P-C4'-P energy: -49.746 tors. eta vs tors. theta energy: -90.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1072.536891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.536891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.536891 (E_RNA) where: Base-Base interactions energy: -746.991 where: short stacking energy: -308.421 Base-Backbone interact. energy: -1.696 local terms energy: -323.849665 where: bonds (distance) C4'-P energy: -63.659 bonds (distance) P-C4' energy: -60.985 flat angles C4'-P-C4' energy: -67.086 flat angles P-C4'-P energy: -50.208 tors. eta vs tors. theta energy: -81.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -951.043274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.043274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.043274 (E_RNA) where: Base-Base interactions energy: -634.428 where: short stacking energy: -288.314 Base-Backbone interact. energy: -0.273 local terms energy: -316.342340 where: bonds (distance) C4'-P energy: -56.033 bonds (distance) P-C4' energy: -60.089 flat angles C4'-P-C4' energy: -65.238 flat angles P-C4'-P energy: -48.423 tors. eta vs tors. theta energy: -86.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -940.721370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.721370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.721370 (E_RNA) where: Base-Base interactions energy: -634.595 where: short stacking energy: -254.478 Base-Backbone interact. energy: -0.610 local terms energy: -305.516044 where: bonds (distance) C4'-P energy: -58.207 bonds (distance) P-C4' energy: -53.824 flat angles C4'-P-C4' energy: -64.761 flat angles P-C4'-P energy: -46.078 tors. eta vs tors. theta energy: -82.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -792.819924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.819924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.819924 (E_RNA) where: Base-Base interactions energy: -531.298 where: short stacking energy: -250.202 Base-Backbone interact. energy: 2.689 local terms energy: -264.210664 where: bonds (distance) C4'-P energy: -44.245 bonds (distance) P-C4' energy: -50.974 flat angles C4'-P-C4' energy: -60.118 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -68.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -793.680265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.680265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.680265 (E_RNA) where: Base-Base interactions energy: -511.892 where: short stacking energy: -223.776 Base-Backbone interact. energy: -1.293 local terms energy: -280.495991 where: bonds (distance) C4'-P energy: -48.908 bonds (distance) P-C4' energy: -63.255 flat angles C4'-P-C4' energy: -65.982 flat angles P-C4'-P energy: -41.678 tors. eta vs tors. theta energy: -60.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -446.107936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.107936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.107936 (E_RNA) where: Base-Base interactions energy: -250.247 where: short stacking energy: -142.108 Base-Backbone interact. energy: -0.834 local terms energy: -195.027118 where: bonds (distance) C4'-P energy: -57.205 bonds (distance) P-C4' energy: -36.147 flat angles C4'-P-C4' energy: -48.204 flat angles P-C4'-P energy: -27.195 tors. eta vs tors. theta energy: -26.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -380.733267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.733267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.733267 (E_RNA) where: Base-Base interactions energy: -193.558 where: short stacking energy: -117.453 Base-Backbone interact. energy: -1.456 local terms energy: -185.719097 where: bonds (distance) C4'-P energy: -45.976 bonds (distance) P-C4' energy: -61.992 flat angles C4'-P-C4' energy: -39.032 flat angles P-C4'-P energy: -31.113 tors. eta vs tors. theta energy: -7.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -305.931736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.931736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.931736 (E_RNA) where: Base-Base interactions energy: -142.919 where: short stacking energy: -82.881 Base-Backbone interact. energy: -1.491 local terms energy: -161.521400 where: bonds (distance) C4'-P energy: -37.841 bonds (distance) P-C4' energy: -50.322 flat angles C4'-P-C4' energy: -43.920 flat angles P-C4'-P energy: -28.860 tors. eta vs tors. theta energy: -0.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1125.355473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.355473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.355473 (E_RNA) where: Base-Base interactions energy: -783.059 where: short stacking energy: -318.060 Base-Backbone interact. energy: -1.105 local terms energy: -341.191970 where: bonds (distance) C4'-P energy: -63.700 bonds (distance) P-C4' energy: -67.283 flat angles C4'-P-C4' energy: -74.463 flat angles P-C4'-P energy: -49.212 tors. eta vs tors. theta energy: -86.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1105.616878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.616878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.616878 (E_RNA) where: Base-Base interactions energy: -770.493 where: short stacking energy: -332.164 Base-Backbone interact. energy: 1.489 local terms energy: -336.612429 where: bonds (distance) C4'-P energy: -60.816 bonds (distance) P-C4' energy: -57.137 flat angles C4'-P-C4' energy: -73.810 flat angles P-C4'-P energy: -45.269 tors. eta vs tors. theta energy: -99.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1048.205055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.205055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.205055 (E_RNA) where: Base-Base interactions energy: -716.376 where: short stacking energy: -294.531 Base-Backbone interact. energy: -1.885 local terms energy: -329.944135 where: bonds (distance) C4'-P energy: -59.308 bonds (distance) P-C4' energy: -65.705 flat angles C4'-P-C4' energy: -66.310 flat angles P-C4'-P energy: -52.854 tors. eta vs tors. theta energy: -85.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -978.279481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.279481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.279481 (E_RNA) where: Base-Base interactions energy: -650.790 where: short stacking energy: -300.676 Base-Backbone interact. energy: -1.157 local terms energy: -326.332738 where: bonds (distance) C4'-P energy: -64.563 bonds (distance) P-C4' energy: -60.213 flat angles C4'-P-C4' energy: -71.332 flat angles P-C4'-P energy: -44.579 tors. eta vs tors. theta energy: -85.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -930.495896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.495896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.495896 (E_RNA) where: Base-Base interactions energy: -630.614 where: short stacking energy: -266.360 Base-Backbone interact. energy: -2.309 local terms energy: -297.573289 where: bonds (distance) C4'-P energy: -55.585 bonds (distance) P-C4' energy: -54.565 flat angles C4'-P-C4' energy: -57.097 flat angles P-C4'-P energy: -43.831 tors. eta vs tors. theta energy: -86.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -833.125069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.125069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.125069 (E_RNA) where: Base-Base interactions energy: -564.011 where: short stacking energy: -237.985 Base-Backbone interact. energy: 1.991 local terms energy: -271.104743 where: bonds (distance) C4'-P energy: -51.901 bonds (distance) P-C4' energy: -54.104 flat angles C4'-P-C4' energy: -64.690 flat angles P-C4'-P energy: -36.426 tors. eta vs tors. theta energy: -63.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -783.507441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.507441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.507441 (E_RNA) where: Base-Base interactions energy: -502.473 where: short stacking energy: -239.191 Base-Backbone interact. energy: -0.751 local terms energy: -280.283571 where: bonds (distance) C4'-P energy: -64.783 bonds (distance) P-C4' energy: -36.488 flat angles C4'-P-C4' energy: -62.666 flat angles P-C4'-P energy: -45.781 tors. eta vs tors. theta energy: -70.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -410.325150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.325150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.325150 (E_RNA) where: Base-Base interactions energy: -216.902 where: short stacking energy: -111.590 Base-Backbone interact. energy: 1.215 local terms energy: -194.638173 where: bonds (distance) C4'-P energy: -54.694 bonds (distance) P-C4' energy: -57.430 flat angles C4'-P-C4' energy: -38.626 flat angles P-C4'-P energy: -41.483 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -389.102640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.102640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.102640 (E_RNA) where: Base-Base interactions energy: -185.126 where: short stacking energy: -102.151 Base-Backbone interact. energy: -2.142 local terms energy: -201.834894 where: bonds (distance) C4'-P energy: -56.101 bonds (distance) P-C4' energy: -52.281 flat angles C4'-P-C4' energy: -54.591 flat angles P-C4'-P energy: -31.400 tors. eta vs tors. theta energy: -7.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -284.076292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.076292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.076292 (E_RNA) where: Base-Base interactions energy: -118.603 where: short stacking energy: -84.783 Base-Backbone interact. energy: -0.676 local terms energy: -164.796763 where: bonds (distance) C4'-P energy: -53.334 bonds (distance) P-C4' energy: -47.226 flat angles C4'-P-C4' energy: -46.663 flat angles P-C4'-P energy: -19.708 tors. eta vs tors. theta energy: 2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1144.084784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.084784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.084784 (E_RNA) where: Base-Base interactions energy: -795.147 where: short stacking energy: -336.488 Base-Backbone interact. energy: 0.158 local terms energy: -349.095257 where: bonds (distance) C4'-P energy: -60.221 bonds (distance) P-C4' energy: -66.300 flat angles C4'-P-C4' energy: -81.853 flat angles P-C4'-P energy: -43.437 tors. eta vs tors. theta energy: -97.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1107.009791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.009791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.009791 (E_RNA) where: Base-Base interactions energy: -768.554 where: short stacking energy: -312.729 Base-Backbone interact. energy: -4.009 local terms energy: -334.446012 where: bonds (distance) C4'-P energy: -59.752 bonds (distance) P-C4' energy: -63.471 flat angles C4'-P-C4' energy: -78.550 flat angles P-C4'-P energy: -42.480 tors. eta vs tors. theta energy: -90.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1050.937571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.937571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.937571 (E_RNA) where: Base-Base interactions energy: -737.446 where: short stacking energy: -288.751 Base-Backbone interact. energy: -0.637 local terms energy: -312.854588 where: bonds (distance) C4'-P energy: -64.965 bonds (distance) P-C4' energy: -60.523 flat angles C4'-P-C4' energy: -62.293 flat angles P-C4'-P energy: -48.702 tors. eta vs tors. theta energy: -76.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -986.736004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.736004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.736004 (E_RNA) where: Base-Base interactions energy: -681.602 where: short stacking energy: -291.674 Base-Backbone interact. energy: -1.235 local terms energy: -303.899174 where: bonds (distance) C4'-P energy: -58.438 bonds (distance) P-C4' energy: -56.202 flat angles C4'-P-C4' energy: -63.210 flat angles P-C4'-P energy: -38.757 tors. eta vs tors. theta energy: -87.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -932.845539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.845539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.845539 (E_RNA) where: Base-Base interactions energy: -625.991 where: short stacking energy: -266.671 Base-Backbone interact. energy: 0.266 local terms energy: -307.120239 where: bonds (distance) C4'-P energy: -51.900 bonds (distance) P-C4' energy: -56.540 flat angles C4'-P-C4' energy: -71.012 flat angles P-C4'-P energy: -42.045 tors. eta vs tors. theta energy: -85.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -830.216843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.216843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.216843 (E_RNA) where: Base-Base interactions energy: -555.261 where: short stacking energy: -236.061 Base-Backbone interact. energy: 0.232 local terms energy: -275.187546 where: bonds (distance) C4'-P energy: -60.994 bonds (distance) P-C4' energy: -62.654 flat angles C4'-P-C4' energy: -56.113 flat angles P-C4'-P energy: -36.574 tors. eta vs tors. theta energy: -58.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -772.602347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.602347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.602347 (E_RNA) where: Base-Base interactions energy: -486.339 where: short stacking energy: -213.677 Base-Backbone interact. energy: 0.695 local terms energy: -286.957727 where: bonds (distance) C4'-P energy: -57.849 bonds (distance) P-C4' energy: -64.400 flat angles C4'-P-C4' energy: -61.977 flat angles P-C4'-P energy: -42.718 tors. eta vs tors. theta energy: -60.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -475.328835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.328835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.328835 (E_RNA) where: Base-Base interactions energy: -258.507 where: short stacking energy: -152.919 Base-Backbone interact. energy: 4.171 local terms energy: -220.992444 where: bonds (distance) C4'-P energy: -50.137 bonds (distance) P-C4' energy: -48.287 flat angles C4'-P-C4' energy: -55.383 flat angles P-C4'-P energy: -47.923 tors. eta vs tors. theta energy: -19.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -329.686281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.686281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.686281 (E_RNA) where: Base-Base interactions energy: -142.934 where: short stacking energy: -92.480 Base-Backbone interact. energy: 0.683 local terms energy: -187.434488 where: bonds (distance) C4'-P energy: -52.357 bonds (distance) P-C4' energy: -62.262 flat angles C4'-P-C4' energy: -55.343 flat angles P-C4'-P energy: -20.306 tors. eta vs tors. theta energy: 2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -312.427229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.427229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.427229 (E_RNA) where: Base-Base interactions energy: -120.034 where: short stacking energy: -83.383 Base-Backbone interact. energy: -2.362 local terms energy: -190.032046 where: bonds (distance) C4'-P energy: -57.478 bonds (distance) P-C4' energy: -57.072 flat angles C4'-P-C4' energy: -40.291 flat angles P-C4'-P energy: -28.266 tors. eta vs tors. theta energy: -6.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1127.539835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.539835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.539835 (E_RNA) where: Base-Base interactions energy: -780.469 where: short stacking energy: -322.417 Base-Backbone interact. energy: -1.231 local terms energy: -345.840357 where: bonds (distance) C4'-P energy: -60.648 bonds (distance) P-C4' energy: -64.392 flat angles C4'-P-C4' energy: -73.800 flat angles P-C4'-P energy: -55.302 tors. eta vs tors. theta energy: -91.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1059.176512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.176512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.176512 (E_RNA) where: Base-Base interactions energy: -724.802 where: short stacking energy: -305.745 Base-Backbone interact. energy: -3.085 local terms energy: -331.289242 where: bonds (distance) C4'-P energy: -62.588 bonds (distance) P-C4' energy: -56.319 flat angles C4'-P-C4' energy: -74.602 flat angles P-C4'-P energy: -56.157 tors. eta vs tors. theta energy: -81.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1082.007778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.007778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.007778 (E_RNA) where: Base-Base interactions energy: -762.689 where: short stacking energy: -298.524 Base-Backbone interact. energy: 0.793 local terms energy: -320.111817 where: bonds (distance) C4'-P energy: -70.319 bonds (distance) P-C4' energy: -59.063 flat angles C4'-P-C4' energy: -64.968 flat angles P-C4'-P energy: -45.065 tors. eta vs tors. theta energy: -80.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -950.040183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.040183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.040183 (E_RNA) where: Base-Base interactions energy: -643.833 where: short stacking energy: -276.822 Base-Backbone interact. energy: -0.280 local terms energy: -305.927223 where: bonds (distance) C4'-P energy: -52.577 bonds (distance) P-C4' energy: -59.744 flat angles C4'-P-C4' energy: -71.554 flat angles P-C4'-P energy: -49.643 tors. eta vs tors. theta energy: -72.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -947.718151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.718151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.718151 (E_RNA) where: Base-Base interactions energy: -646.645 where: short stacking energy: -257.430 Base-Backbone interact. energy: -1.092 local terms energy: -299.981175 where: bonds (distance) C4'-P energy: -49.921 bonds (distance) P-C4' energy: -57.848 flat angles C4'-P-C4' energy: -66.213 flat angles P-C4'-P energy: -48.278 tors. eta vs tors. theta energy: -77.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -881.276167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.276167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.276167 (E_RNA) where: Base-Base interactions energy: -595.165 where: short stacking energy: -272.013 Base-Backbone interact. energy: 0.139 local terms energy: -286.250117 where: bonds (distance) C4'-P energy: -64.470 bonds (distance) P-C4' energy: -55.644 flat angles C4'-P-C4' energy: -60.019 flat angles P-C4'-P energy: -33.332 tors. eta vs tors. theta energy: -72.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -813.245398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.245398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.245398 (E_RNA) where: Base-Base interactions energy: -537.460 where: short stacking energy: -263.911 Base-Backbone interact. energy: -0.466 local terms energy: -275.318980 where: bonds (distance) C4'-P energy: -59.508 bonds (distance) P-C4' energy: -42.759 flat angles C4'-P-C4' energy: -63.811 flat angles P-C4'-P energy: -36.026 tors. eta vs tors. theta energy: -73.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -508.228817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.228817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.228817 (E_RNA) where: Base-Base interactions energy: -283.652 where: short stacking energy: -166.509 Base-Backbone interact. energy: -1.136 local terms energy: -223.441182 where: bonds (distance) C4'-P energy: -49.015 bonds (distance) P-C4' energy: -55.785 flat angles C4'-P-C4' energy: -45.735 flat angles P-C4'-P energy: -44.263 tors. eta vs tors. theta energy: -28.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -323.546309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.546309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.546309 (E_RNA) where: Base-Base interactions energy: -129.642 where: short stacking energy: -103.789 Base-Backbone interact. energy: 2.262 local terms energy: -196.166925 where: bonds (distance) C4'-P energy: -66.354 bonds (distance) P-C4' energy: -46.627 flat angles C4'-P-C4' energy: -45.993 flat angles P-C4'-P energy: -37.477 tors. eta vs tors. theta energy: 0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -288.923097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.923097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.923097 (E_RNA) where: Base-Base interactions energy: -91.779 where: short stacking energy: -63.288 Base-Backbone interact. energy: 0.540 local terms energy: -197.684015 where: bonds (distance) C4'-P energy: -72.113 bonds (distance) P-C4' energy: -50.555 flat angles C4'-P-C4' energy: -55.577 flat angles P-C4'-P energy: -35.037 tors. eta vs tors. theta energy: 15.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1127.051724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.051724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.051724 (E_RNA) where: Base-Base interactions energy: -774.125 where: short stacking energy: -334.433 Base-Backbone interact. energy: -0.298 local terms energy: -352.628678 where: bonds (distance) C4'-P energy: -63.079 bonds (distance) P-C4' energy: -69.970 flat angles C4'-P-C4' energy: -75.754 flat angles P-C4'-P energy: -51.598 tors. eta vs tors. theta energy: -92.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1058.831785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.831785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.831785 (E_RNA) where: Base-Base interactions energy: -725.424 where: short stacking energy: -303.660 Base-Backbone interact. energy: -1.877 local terms energy: -331.530896 where: bonds (distance) C4'-P energy: -61.980 bonds (distance) P-C4' energy: -62.675 flat angles C4'-P-C4' energy: -77.796 flat angles P-C4'-P energy: -51.000 tors. eta vs tors. theta energy: -78.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1075.513050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.513050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.513050 (E_RNA) where: Base-Base interactions energy: -746.012 where: short stacking energy: -298.905 Base-Backbone interact. energy: -1.358 local terms energy: -328.143099 where: bonds (distance) C4'-P energy: -71.201 bonds (distance) P-C4' energy: -64.239 flat angles C4'-P-C4' energy: -63.977 flat angles P-C4'-P energy: -45.190 tors. eta vs tors. theta energy: -83.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -997.338024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.338024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.338024 (E_RNA) where: Base-Base interactions energy: -674.739 where: short stacking energy: -299.571 Base-Backbone interact. energy: -1.337 local terms energy: -321.261631 where: bonds (distance) C4'-P energy: -51.128 bonds (distance) P-C4' energy: -59.465 flat angles C4'-P-C4' energy: -69.969 flat angles P-C4'-P energy: -50.828 tors. eta vs tors. theta energy: -89.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -935.098371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.098371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.098371 (E_RNA) where: Base-Base interactions energy: -634.845 where: short stacking energy: -262.144 Base-Backbone interact. energy: -1.969 local terms energy: -298.284930 where: bonds (distance) C4'-P energy: -61.347 bonds (distance) P-C4' energy: -56.783 flat angles C4'-P-C4' energy: -58.767 flat angles P-C4'-P energy: -42.949 tors. eta vs tors. theta energy: -78.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -839.354834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.354834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.354834 (E_RNA) where: Base-Base interactions energy: -562.301 where: short stacking energy: -245.112 Base-Backbone interact. energy: 0.740 local terms energy: -277.794008 where: bonds (distance) C4'-P energy: -58.422 bonds (distance) P-C4' energy: -52.465 flat angles C4'-P-C4' energy: -58.551 flat angles P-C4'-P energy: -44.226 tors. eta vs tors. theta energy: -64.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -782.360374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.360374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.360374 (E_RNA) where: Base-Base interactions energy: -513.975 where: short stacking energy: -250.489 Base-Backbone interact. energy: 1.097 local terms energy: -269.482304 where: bonds (distance) C4'-P energy: -48.174 bonds (distance) P-C4' energy: -59.134 flat angles C4'-P-C4' energy: -58.243 flat angles P-C4'-P energy: -34.818 tors. eta vs tors. theta energy: -69.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -494.635539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.635539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.635539 (E_RNA) where: Base-Base interactions energy: -296.128 where: short stacking energy: -155.587 Base-Backbone interact. energy: -1.574 local terms energy: -196.934136 where: bonds (distance) C4'-P energy: -42.123 bonds (distance) P-C4' energy: -55.439 flat angles C4'-P-C4' energy: -47.990 flat angles P-C4'-P energy: -19.874 tors. eta vs tors. theta energy: -31.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -291.486945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.486945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.486945 (E_RNA) where: Base-Base interactions energy: -127.526 where: short stacking energy: -92.819 Base-Backbone interact. energy: -0.341 local terms energy: -163.619402 where: bonds (distance) C4'-P energy: -52.552 bonds (distance) P-C4' energy: -67.028 flat angles C4'-P-C4' energy: -43.261 flat angles P-C4'-P energy: -10.675 tors. eta vs tors. theta energy: 9.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -270.115424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.115424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.115424 (E_RNA) where: Base-Base interactions energy: -91.272 where: short stacking energy: -74.917 Base-Backbone interact. energy: 0.360 local terms energy: -179.203407 where: bonds (distance) C4'-P energy: -48.347 bonds (distance) P-C4' energy: -62.949 flat angles C4'-P-C4' energy: -40.516 flat angles P-C4'-P energy: -27.830 tors. eta vs tors. theta energy: 0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1118.279547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.279547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.279547 (E_RNA) where: Base-Base interactions energy: -783.032 where: short stacking energy: -326.846 Base-Backbone interact. energy: -2.854 local terms energy: -332.393217 where: bonds (distance) C4'-P energy: -56.557 bonds (distance) P-C4' energy: -59.950 flat angles C4'-P-C4' energy: -67.636 flat angles P-C4'-P energy: -49.917 tors. eta vs tors. theta energy: -98.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1075.639664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.639664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.639664 (E_RNA) where: Base-Base interactions energy: -756.407 where: short stacking energy: -300.298 Base-Backbone interact. energy: -0.512 local terms energy: -318.720656 where: bonds (distance) C4'-P energy: -53.431 bonds (distance) P-C4' energy: -56.804 flat angles C4'-P-C4' energy: -71.930 flat angles P-C4'-P energy: -50.652 tors. eta vs tors. theta energy: -85.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1032.281513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.281513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.281513 (E_RNA) where: Base-Base interactions energy: -725.439 where: short stacking energy: -290.665 Base-Backbone interact. energy: -0.896 local terms energy: -305.946017 where: bonds (distance) C4'-P energy: -64.925 bonds (distance) P-C4' energy: -59.391 flat angles C4'-P-C4' energy: -59.552 flat angles P-C4'-P energy: -41.419 tors. eta vs tors. theta energy: -80.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -956.814653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.814653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.814653 (E_RNA) where: Base-Base interactions energy: -650.154 where: short stacking energy: -283.341 Base-Backbone interact. energy: -1.235 local terms energy: -305.425100 where: bonds (distance) C4'-P energy: -58.018 bonds (distance) P-C4' energy: -54.953 flat angles C4'-P-C4' energy: -60.212 flat angles P-C4'-P energy: -47.447 tors. eta vs tors. theta energy: -84.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -947.848352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.848352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.848352 (E_RNA) where: Base-Base interactions energy: -625.217 where: short stacking energy: -273.936 Base-Backbone interact. energy: -0.856 local terms energy: -321.775314 where: bonds (distance) C4'-P energy: -55.725 bonds (distance) P-C4' energy: -68.884 flat angles C4'-P-C4' energy: -71.406 flat angles P-C4'-P energy: -33.429 tors. eta vs tors. theta energy: -92.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -848.250253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.250253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.250253 (E_RNA) where: Base-Base interactions energy: -565.560 where: short stacking energy: -249.781 Base-Backbone interact. energy: -1.383 local terms energy: -281.307515 where: bonds (distance) C4'-P energy: -60.375 bonds (distance) P-C4' energy: -51.934 flat angles C4'-P-C4' energy: -54.389 flat angles P-C4'-P energy: -44.419 tors. eta vs tors. theta energy: -70.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -746.322236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.322236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.322236 (E_RNA) where: Base-Base interactions energy: -475.900 where: short stacking energy: -225.808 Base-Backbone interact. energy: -2.299 local terms energy: -268.123062 where: bonds (distance) C4'-P energy: -47.946 bonds (distance) P-C4' energy: -65.820 flat angles C4'-P-C4' energy: -67.328 flat angles P-C4'-P energy: -31.864 tors. eta vs tors. theta energy: -55.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -511.174260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.174260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.174260 (E_RNA) where: Base-Base interactions energy: -301.453 where: short stacking energy: -164.495 Base-Backbone interact. energy: -1.160 local terms energy: -208.561049 where: bonds (distance) C4'-P energy: -36.309 bonds (distance) P-C4' energy: -63.061 flat angles C4'-P-C4' energy: -59.471 flat angles P-C4'-P energy: -24.960 tors. eta vs tors. theta energy: -24.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -294.977489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.977489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.977489 (E_RNA) where: Base-Base interactions energy: -117.696 where: short stacking energy: -90.052 Base-Backbone interact. energy: 1.859 local terms energy: -179.140163 where: bonds (distance) C4'-P energy: -46.912 bonds (distance) P-C4' energy: -60.700 flat angles C4'-P-C4' energy: -45.999 flat angles P-C4'-P energy: -27.027 tors. eta vs tors. theta energy: 1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -268.974637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.974637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.974637 (E_RNA) where: Base-Base interactions energy: -103.199 where: short stacking energy: -79.870 Base-Backbone interact. energy: 0.095 local terms energy: -165.869906 where: bonds (distance) C4'-P energy: -39.403 bonds (distance) P-C4' energy: -46.477 flat angles C4'-P-C4' energy: -59.298 flat angles P-C4'-P energy: -27.743 tors. eta vs tors. theta energy: 7.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1137.520726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.520726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.520726 (E_RNA) where: Base-Base interactions energy: -793.353 where: short stacking energy: -333.914 Base-Backbone interact. energy: -3.189 local terms energy: -340.979322 where: bonds (distance) C4'-P energy: -72.247 bonds (distance) P-C4' energy: -52.093 flat angles C4'-P-C4' energy: -72.902 flat angles P-C4'-P energy: -48.923 tors. eta vs tors. theta energy: -94.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1095.449331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.449331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.449331 (E_RNA) where: Base-Base interactions energy: -768.401 where: short stacking energy: -302.177 Base-Backbone interact. energy: -0.308 local terms energy: -326.739936 where: bonds (distance) C4'-P energy: -57.509 bonds (distance) P-C4' energy: -63.365 flat angles C4'-P-C4' energy: -70.621 flat angles P-C4'-P energy: -48.133 tors. eta vs tors. theta energy: -87.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1040.466195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.466195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.466195 (E_RNA) where: Base-Base interactions energy: -726.560 where: short stacking energy: -313.576 Base-Backbone interact. energy: -2.658 local terms energy: -311.247705 where: bonds (distance) C4'-P energy: -60.952 bonds (distance) P-C4' energy: -57.146 flat angles C4'-P-C4' energy: -65.315 flat angles P-C4'-P energy: -36.937 tors. eta vs tors. theta energy: -90.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -968.154846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.154846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.154846 (E_RNA) where: Base-Base interactions energy: -643.290 where: short stacking energy: -289.959 Base-Backbone interact. energy: 0.823 local terms energy: -325.687801 where: bonds (distance) C4'-P energy: -66.275 bonds (distance) P-C4' energy: -56.526 flat angles C4'-P-C4' energy: -76.736 flat angles P-C4'-P energy: -36.386 tors. eta vs tors. theta energy: -89.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -933.765785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.765785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.765785 (E_RNA) where: Base-Base interactions energy: -638.337 where: short stacking energy: -271.197 Base-Backbone interact. energy: -2.006 local terms energy: -293.422983 where: bonds (distance) C4'-P energy: -49.469 bonds (distance) P-C4' energy: -55.840 flat angles C4'-P-C4' energy: -62.169 flat angles P-C4'-P energy: -39.668 tors. eta vs tors. theta energy: -86.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -897.192886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.192886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.192886 (E_RNA) where: Base-Base interactions energy: -606.956 where: short stacking energy: -282.600 Base-Backbone interact. energy: -1.220 local terms energy: -289.016807 where: bonds (distance) C4'-P energy: -54.395 bonds (distance) P-C4' energy: -59.245 flat angles C4'-P-C4' energy: -62.124 flat angles P-C4'-P energy: -41.970 tors. eta vs tors. theta energy: -71.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -778.389054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.389054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.389054 (E_RNA) where: Base-Base interactions energy: -510.203 where: short stacking energy: -246.236 Base-Backbone interact. energy: -1.442 local terms energy: -266.743651 where: bonds (distance) C4'-P energy: -56.647 bonds (distance) P-C4' energy: -59.169 flat angles C4'-P-C4' energy: -53.069 flat angles P-C4'-P energy: -43.287 tors. eta vs tors. theta energy: -54.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -536.654138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.654138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.654138 (E_RNA) where: Base-Base interactions energy: -336.379 where: short stacking energy: -168.173 Base-Backbone interact. energy: 1.419 local terms energy: -201.693454 where: bonds (distance) C4'-P energy: -50.121 bonds (distance) P-C4' energy: -52.416 flat angles C4'-P-C4' energy: -43.752 flat angles P-C4'-P energy: -33.048 tors. eta vs tors. theta energy: -22.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -325.237070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.237070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.237070 (E_RNA) where: Base-Base interactions energy: -139.896 where: short stacking energy: -100.006 Base-Backbone interact. energy: -0.016 local terms energy: -185.325301 where: bonds (distance) C4'-P energy: -53.707 bonds (distance) P-C4' energy: -46.541 flat angles C4'-P-C4' energy: -54.123 flat angles P-C4'-P energy: -24.153 tors. eta vs tors. theta energy: -6.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -285.334650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.334650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.334650 (E_RNA) where: Base-Base interactions energy: -126.458 where: short stacking energy: -96.642 Base-Backbone interact. energy: 2.144 local terms energy: -161.021415 where: bonds (distance) C4'-P energy: -48.500 bonds (distance) P-C4' energy: -59.701 flat angles C4'-P-C4' energy: -41.390 flat angles P-C4'-P energy: -17.576 tors. eta vs tors. theta energy: 6.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1117.413701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.413701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.413701 (E_RNA) where: Base-Base interactions energy: -782.862 where: short stacking energy: -326.985 Base-Backbone interact. energy: -3.035 local terms energy: -331.516587 where: bonds (distance) C4'-P energy: -68.226 bonds (distance) P-C4' energy: -53.715 flat angles C4'-P-C4' energy: -71.234 flat angles P-C4'-P energy: -50.159 tors. eta vs tors. theta energy: -88.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1128.520352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.520352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.520352 (E_RNA) where: Base-Base interactions energy: -791.624 where: short stacking energy: -303.966 Base-Backbone interact. energy: -0.910 local terms energy: -335.986904 where: bonds (distance) C4'-P energy: -58.410 bonds (distance) P-C4' energy: -67.836 flat angles C4'-P-C4' energy: -67.564 flat angles P-C4'-P energy: -53.116 tors. eta vs tors. theta energy: -89.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1039.485405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.485405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.485405 (E_RNA) where: Base-Base interactions energy: -718.695 where: short stacking energy: -300.902 Base-Backbone interact. energy: -2.034 local terms energy: -318.755946 where: bonds (distance) C4'-P energy: -60.290 bonds (distance) P-C4' energy: -63.679 flat angles C4'-P-C4' energy: -70.263 flat angles P-C4'-P energy: -40.659 tors. eta vs tors. theta energy: -83.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -972.234405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.234405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.234405 (E_RNA) where: Base-Base interactions energy: -671.208 where: short stacking energy: -307.218 Base-Backbone interact. energy: -0.753 local terms energy: -300.273371 where: bonds (distance) C4'-P energy: -49.165 bonds (distance) P-C4' energy: -52.605 flat angles C4'-P-C4' energy: -60.247 flat angles P-C4'-P energy: -47.678 tors. eta vs tors. theta energy: -90.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -921.382081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.382081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.382081 (E_RNA) where: Base-Base interactions energy: -629.375 where: short stacking energy: -236.782 Base-Backbone interact. energy: -1.730 local terms energy: -290.276679 where: bonds (distance) C4'-P energy: -53.430 bonds (distance) P-C4' energy: -64.651 flat angles C4'-P-C4' energy: -62.937 flat angles P-C4'-P energy: -44.920 tors. eta vs tors. theta energy: -64.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -885.484292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.484292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.484292 (E_RNA) where: Base-Base interactions energy: -602.726 where: short stacking energy: -286.231 Base-Backbone interact. energy: -0.848 local terms energy: -281.910349 where: bonds (distance) C4'-P energy: -42.291 bonds (distance) P-C4' energy: -52.655 flat angles C4'-P-C4' energy: -65.759 flat angles P-C4'-P energy: -39.706 tors. eta vs tors. theta energy: -81.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -789.031429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.031429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.031429 (E_RNA) where: Base-Base interactions energy: -516.692 where: short stacking energy: -229.167 Base-Backbone interact. energy: -1.105 local terms energy: -271.234517 where: bonds (distance) C4'-P energy: -51.807 bonds (distance) P-C4' energy: -63.259 flat angles C4'-P-C4' energy: -61.409 flat angles P-C4'-P energy: -30.815 tors. eta vs tors. theta energy: -63.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -547.013491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.013491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.013491 (E_RNA) where: Base-Base interactions energy: -334.565 where: short stacking energy: -159.808 Base-Backbone interact. energy: 2.249 local terms energy: -214.697346 where: bonds (distance) C4'-P energy: -47.345 bonds (distance) P-C4' energy: -56.024 flat angles C4'-P-C4' energy: -49.606 flat angles P-C4'-P energy: -35.318 tors. eta vs tors. theta energy: -26.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -280.385654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.385654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.385654 (E_RNA) where: Base-Base interactions energy: -117.839 where: short stacking energy: -99.238 Base-Backbone interact. energy: 1.395 local terms energy: -163.941511 where: bonds (distance) C4'-P energy: -45.868 bonds (distance) P-C4' energy: -50.906 flat angles C4'-P-C4' energy: -54.172 flat angles P-C4'-P energy: -18.285 tors. eta vs tors. theta energy: 5.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -266.022649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.022649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.022649 (E_RNA) where: Base-Base interactions energy: -90.757 where: short stacking energy: -69.239 Base-Backbone interact. energy: -0.333 local terms energy: -174.932677 where: bonds (distance) C4'-P energy: -50.676 bonds (distance) P-C4' energy: -62.374 flat angles C4'-P-C4' energy: -45.162 flat angles P-C4'-P energy: -24.387 tors. eta vs tors. theta energy: 7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1142.057808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.057808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.057808 (E_RNA) where: Base-Base interactions energy: -814.883 where: short stacking energy: -327.928 Base-Backbone interact. energy: -2.272 local terms energy: -324.903026 where: bonds (distance) C4'-P energy: -65.954 bonds (distance) P-C4' energy: -61.584 flat angles C4'-P-C4' energy: -68.531 flat angles P-C4'-P energy: -42.834 tors. eta vs tors. theta energy: -86.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1097.275742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.275742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.275742 (E_RNA) where: Base-Base interactions energy: -764.138 where: short stacking energy: -324.847 Base-Backbone interact. energy: -1.171 local terms energy: -331.966767 where: bonds (distance) C4'-P energy: -58.444 bonds (distance) P-C4' energy: -67.499 flat angles C4'-P-C4' energy: -58.403 flat angles P-C4'-P energy: -50.429 tors. eta vs tors. theta energy: -97.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1049.904433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.904433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.904433 (E_RNA) where: Base-Base interactions energy: -723.138 where: short stacking energy: -312.252 Base-Backbone interact. energy: -1.164 local terms energy: -325.602377 where: bonds (distance) C4'-P energy: -58.773 bonds (distance) P-C4' energy: -67.568 flat angles C4'-P-C4' energy: -71.212 flat angles P-C4'-P energy: -40.094 tors. eta vs tors. theta energy: -87.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -985.670250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.670250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.670250 (E_RNA) where: Base-Base interactions energy: -676.505 where: short stacking energy: -301.389 Base-Backbone interact. energy: -0.578 local terms energy: -308.586949 where: bonds (distance) C4'-P energy: -51.892 bonds (distance) P-C4' energy: -57.553 flat angles C4'-P-C4' energy: -69.395 flat angles P-C4'-P energy: -40.165 tors. eta vs tors. theta energy: -89.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -913.707844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.707844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.707844 (E_RNA) where: Base-Base interactions energy: -615.360 where: short stacking energy: -257.254 Base-Backbone interact. energy: -1.393 local terms energy: -296.954585 where: bonds (distance) C4'-P energy: -61.405 bonds (distance) P-C4' energy: -63.574 flat angles C4'-P-C4' energy: -71.594 flat angles P-C4'-P energy: -34.480 tors. eta vs tors. theta energy: -65.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -857.889964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.889964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.889964 (E_RNA) where: Base-Base interactions energy: -582.557 where: short stacking energy: -271.061 Base-Backbone interact. energy: -0.184 local terms energy: -275.149669 where: bonds (distance) C4'-P energy: -63.152 bonds (distance) P-C4' energy: -38.966 flat angles C4'-P-C4' energy: -64.872 flat angles P-C4'-P energy: -25.061 tors. eta vs tors. theta energy: -83.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -795.066635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.066635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.066635 (E_RNA) where: Base-Base interactions energy: -502.147 where: short stacking energy: -232.189 Base-Backbone interact. energy: -1.873 local terms energy: -291.047229 where: bonds (distance) C4'-P energy: -56.121 bonds (distance) P-C4' energy: -62.133 flat angles C4'-P-C4' energy: -63.880 flat angles P-C4'-P energy: -37.893 tors. eta vs tors. theta energy: -71.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -527.666721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.666721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.666721 (E_RNA) where: Base-Base interactions energy: -312.676 where: short stacking energy: -165.948 Base-Backbone interact. energy: 1.067 local terms energy: -216.057714 where: bonds (distance) C4'-P energy: -55.076 bonds (distance) P-C4' energy: -54.042 flat angles C4'-P-C4' energy: -52.268 flat angles P-C4'-P energy: -25.302 tors. eta vs tors. theta energy: -29.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -311.028605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.028605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.028605 (E_RNA) where: Base-Base interactions energy: -124.720 where: short stacking energy: -91.996 Base-Backbone interact. energy: -0.708 local terms energy: -185.600058 where: bonds (distance) C4'-P energy: -47.597 bonds (distance) P-C4' energy: -53.450 flat angles C4'-P-C4' energy: -57.010 flat angles P-C4'-P energy: -29.437 tors. eta vs tors. theta energy: 1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -290.952127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.952127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.952127 (E_RNA) where: Base-Base interactions energy: -101.208 where: short stacking energy: -83.942 Base-Backbone interact. energy: -1.295 local terms energy: -188.448405 where: bonds (distance) C4'-P energy: -56.565 bonds (distance) P-C4' energy: -55.387 flat angles C4'-P-C4' energy: -50.024 flat angles P-C4'-P energy: -32.615 tors. eta vs tors. theta energy: 6.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1148.719054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.719054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.719054 (E_RNA) where: Base-Base interactions energy: -808.020 where: short stacking energy: -318.897 Base-Backbone interact. energy: 0.059 local terms energy: -340.758239 where: bonds (distance) C4'-P energy: -61.599 bonds (distance) P-C4' energy: -60.192 flat angles C4'-P-C4' energy: -75.618 flat angles P-C4'-P energy: -52.861 tors. eta vs tors. theta energy: -90.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1080.907435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.907435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.907435 (E_RNA) where: Base-Base interactions energy: -752.353 where: short stacking energy: -296.354 Base-Backbone interact. energy: -2.180 local terms energy: -326.374582 where: bonds (distance) C4'-P energy: -62.988 bonds (distance) P-C4' energy: -67.704 flat angles C4'-P-C4' energy: -67.434 flat angles P-C4'-P energy: -48.638 tors. eta vs tors. theta energy: -79.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1083.272414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.272414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.272414 (E_RNA) where: Base-Base interactions energy: -755.465 where: short stacking energy: -311.832 Base-Backbone interact. energy: -0.926 local terms energy: -326.881723 where: bonds (distance) C4'-P energy: -70.878 bonds (distance) P-C4' energy: -48.321 flat angles C4'-P-C4' energy: -67.558 flat angles P-C4'-P energy: -49.794 tors. eta vs tors. theta energy: -90.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -974.758326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.758326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.758326 (E_RNA) where: Base-Base interactions energy: -662.222 where: short stacking energy: -293.070 Base-Backbone interact. energy: -1.648 local terms energy: -310.888890 where: bonds (distance) C4'-P energy: -59.359 bonds (distance) P-C4' energy: -66.302 flat angles C4'-P-C4' energy: -69.207 flat angles P-C4'-P energy: -34.403 tors. eta vs tors. theta energy: -81.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -947.833565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.833565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.833565 (E_RNA) where: Base-Base interactions energy: -639.188 where: short stacking energy: -303.525 Base-Backbone interact. energy: -0.968 local terms energy: -307.677728 where: bonds (distance) C4'-P energy: -56.034 bonds (distance) P-C4' energy: -57.497 flat angles C4'-P-C4' energy: -70.287 flat angles P-C4'-P energy: -31.893 tors. eta vs tors. theta energy: -91.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -876.212177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.212177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.212177 (E_RNA) where: Base-Base interactions energy: -588.145 where: short stacking energy: -259.676 Base-Backbone interact. energy: 5.074 local terms energy: -293.141010 where: bonds (distance) C4'-P energy: -58.162 bonds (distance) P-C4' energy: -53.305 flat angles C4'-P-C4' energy: -64.568 flat angles P-C4'-P energy: -44.155 tors. eta vs tors. theta energy: -72.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -778.009883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.009883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.009883 (E_RNA) where: Base-Base interactions energy: -500.581 where: short stacking energy: -235.552 Base-Backbone interact. energy: -0.512 local terms energy: -276.917840 where: bonds (distance) C4'-P energy: -49.655 bonds (distance) P-C4' energy: -52.189 flat angles C4'-P-C4' energy: -73.791 flat angles P-C4'-P energy: -38.739 tors. eta vs tors. theta energy: -62.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -481.059925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.059925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.059925 (E_RNA) where: Base-Base interactions energy: -278.374 where: short stacking energy: -155.735 Base-Backbone interact. energy: -0.701 local terms energy: -201.984562 where: bonds (distance) C4'-P energy: -52.998 bonds (distance) P-C4' energy: -42.153 flat angles C4'-P-C4' energy: -53.487 flat angles P-C4'-P energy: -35.526 tors. eta vs tors. theta energy: -17.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -297.006595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.006595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.006595 (E_RNA) where: Base-Base interactions energy: -124.724 where: short stacking energy: -86.767 Base-Backbone interact. energy: 4.255 local terms energy: -176.537743 where: bonds (distance) C4'-P energy: -48.780 bonds (distance) P-C4' energy: -61.343 flat angles C4'-P-C4' energy: -40.876 flat angles P-C4'-P energy: -25.763 tors. eta vs tors. theta energy: 0.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -329.265866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.265866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.265866 (E_RNA) where: Base-Base interactions energy: -162.609 where: short stacking energy: -98.511 Base-Backbone interact. energy: -0.603 local terms energy: -166.054148 where: bonds (distance) C4'-P energy: -48.789 bonds (distance) P-C4' energy: -53.311 flat angles C4'-P-C4' energy: -38.321 flat angles P-C4'-P energy: -26.907 tors. eta vs tors. theta energy: 1.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1148.399807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.399807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.399807 (E_RNA) where: Base-Base interactions energy: -804.305 where: short stacking energy: -316.423 Base-Backbone interact. energy: -1.430 local terms energy: -342.665256 where: bonds (distance) C4'-P energy: -64.650 bonds (distance) P-C4' energy: -59.660 flat angles C4'-P-C4' energy: -75.119 flat angles P-C4'-P energy: -50.647 tors. eta vs tors. theta energy: -92.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1071.364174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.364174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.364174 (E_RNA) where: Base-Base interactions energy: -759.460 where: short stacking energy: -303.499 Base-Backbone interact. energy: -0.312 local terms energy: -311.592289 where: bonds (distance) C4'-P energy: -59.227 bonds (distance) P-C4' energy: -54.941 flat angles C4'-P-C4' energy: -64.996 flat angles P-C4'-P energy: -50.972 tors. eta vs tors. theta energy: -81.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1088.061538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.061538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.061538 (E_RNA) where: Base-Base interactions energy: -771.998 where: short stacking energy: -326.885 Base-Backbone interact. energy: -1.167 local terms energy: -314.896559 where: bonds (distance) C4'-P energy: -61.062 bonds (distance) P-C4' energy: -42.405 flat angles C4'-P-C4' energy: -75.587 flat angles P-C4'-P energy: -44.551 tors. eta vs tors. theta energy: -91.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -975.984604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.984604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.984604 (E_RNA) where: Base-Base interactions energy: -661.150 where: short stacking energy: -267.519 Base-Backbone interact. energy: -0.210 local terms energy: -314.624441 where: bonds (distance) C4'-P energy: -63.065 bonds (distance) P-C4' energy: -62.478 flat angles C4'-P-C4' energy: -65.544 flat angles P-C4'-P energy: -38.322 tors. eta vs tors. theta energy: -85.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -941.773479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.773479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.773479 (E_RNA) where: Base-Base interactions energy: -614.698 where: short stacking energy: -287.302 Base-Backbone interact. energy: 2.345 local terms energy: -329.420778 where: bonds (distance) C4'-P energy: -56.393 bonds (distance) P-C4' energy: -60.993 flat angles C4'-P-C4' energy: -74.361 flat angles P-C4'-P energy: -50.338 tors. eta vs tors. theta energy: -87.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -867.039538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.039538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.039538 (E_RNA) where: Base-Base interactions energy: -574.385 where: short stacking energy: -259.209 Base-Backbone interact. energy: 0.289 local terms energy: -292.943807 where: bonds (distance) C4'-P energy: -54.192 bonds (distance) P-C4' energy: -57.444 flat angles C4'-P-C4' energy: -67.825 flat angles P-C4'-P energy: -43.713 tors. eta vs tors. theta energy: -69.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -775.493880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.493880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.493880 (E_RNA) where: Base-Base interactions energy: -493.763 where: short stacking energy: -222.883 Base-Backbone interact. energy: -1.607 local terms energy: -280.124209 where: bonds (distance) C4'-P energy: -55.657 bonds (distance) P-C4' energy: -58.153 flat angles C4'-P-C4' energy: -58.351 flat angles P-C4'-P energy: -41.522 tors. eta vs tors. theta energy: -66.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -471.628798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.628798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.628798 (E_RNA) where: Base-Base interactions energy: -238.203 where: short stacking energy: -139.367 Base-Backbone interact. energy: -2.243 local terms energy: -231.183248 where: bonds (distance) C4'-P energy: -55.794 bonds (distance) P-C4' energy: -56.992 flat angles C4'-P-C4' energy: -52.005 flat angles P-C4'-P energy: -40.168 tors. eta vs tors. theta energy: -26.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -411.375560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.375560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.375560 (E_RNA) where: Base-Base interactions energy: -201.803 where: short stacking energy: -102.747 Base-Backbone interact. energy: -1.677 local terms energy: -207.895519 where: bonds (distance) C4'-P energy: -65.186 bonds (distance) P-C4' energy: -47.775 flat angles C4'-P-C4' energy: -58.339 flat angles P-C4'-P energy: -40.953 tors. eta vs tors. theta energy: 4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -303.088759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.088759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.088759 (E_RNA) where: Base-Base interactions energy: -125.290 where: short stacking energy: -104.487 Base-Backbone interact. energy: -0.860 local terms energy: -176.938354 where: bonds (distance) C4'-P energy: -54.707 bonds (distance) P-C4' energy: -27.918 flat angles C4'-P-C4' energy: -62.142 flat angles P-C4'-P energy: -24.485 tors. eta vs tors. theta energy: -7.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1164.677112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.677112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.677112 (E_RNA) where: Base-Base interactions energy: -826.176 where: short stacking energy: -336.972 Base-Backbone interact. energy: -0.588 local terms energy: -337.912960 where: bonds (distance) C4'-P energy: -65.354 bonds (distance) P-C4' energy: -64.423 flat angles C4'-P-C4' energy: -71.718 flat angles P-C4'-P energy: -46.695 tors. eta vs tors. theta energy: -89.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1072.313543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.313543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.313543 (E_RNA) where: Base-Base interactions energy: -752.267 where: short stacking energy: -305.675 Base-Backbone interact. energy: -1.903 local terms energy: -318.143932 where: bonds (distance) C4'-P energy: -57.635 bonds (distance) P-C4' energy: -59.501 flat angles C4'-P-C4' energy: -67.304 flat angles P-C4'-P energy: -46.457 tors. eta vs tors. theta energy: -87.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1091.685423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.685423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.685423 (E_RNA) where: Base-Base interactions energy: -776.239 where: short stacking energy: -322.589 Base-Backbone interact. energy: 5.544 local terms energy: -320.989528 where: bonds (distance) C4'-P energy: -46.238 bonds (distance) P-C4' energy: -63.144 flat angles C4'-P-C4' energy: -74.506 flat angles P-C4'-P energy: -52.085 tors. eta vs tors. theta energy: -85.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -993.413831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.413831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.413831 (E_RNA) where: Base-Base interactions energy: -679.896 where: short stacking energy: -276.490 Base-Backbone interact. energy: -0.720 local terms energy: -312.798224 where: bonds (distance) C4'-P energy: -64.496 bonds (distance) P-C4' energy: -67.165 flat angles C4'-P-C4' energy: -55.611 flat angles P-C4'-P energy: -44.723 tors. eta vs tors. theta energy: -80.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -932.026598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.026598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.026598 (E_RNA) where: Base-Base interactions energy: -622.970 where: short stacking energy: -280.353 Base-Backbone interact. energy: -0.574 local terms energy: -308.482991 where: bonds (distance) C4'-P energy: -52.181 bonds (distance) P-C4' energy: -52.280 flat angles C4'-P-C4' energy: -66.950 flat angles P-C4'-P energy: -49.359 tors. eta vs tors. theta energy: -87.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -803.397167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.397167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.397167 (E_RNA) where: Base-Base interactions energy: -516.957 where: short stacking energy: -243.676 Base-Backbone interact. energy: 0.839 local terms energy: -287.278543 where: bonds (distance) C4'-P energy: -53.861 bonds (distance) P-C4' energy: -66.972 flat angles C4'-P-C4' energy: -61.679 flat angles P-C4'-P energy: -49.794 tors. eta vs tors. theta energy: -54.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -819.721790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.721790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.721790 (E_RNA) where: Base-Base interactions energy: -550.826 where: short stacking energy: -243.795 Base-Backbone interact. energy: -0.655 local terms energy: -268.240829 where: bonds (distance) C4'-P energy: -53.342 bonds (distance) P-C4' energy: -49.284 flat angles C4'-P-C4' energy: -56.712 flat angles P-C4'-P energy: -45.096 tors. eta vs tors. theta energy: -63.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -473.070106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.070106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.070106 (E_RNA) where: Base-Base interactions energy: -263.985 where: short stacking energy: -141.662 Base-Backbone interact. energy: -1.083 local terms energy: -208.002421 where: bonds (distance) C4'-P energy: -49.580 bonds (distance) P-C4' energy: -60.275 flat angles C4'-P-C4' energy: -53.128 flat angles P-C4'-P energy: -31.739 tors. eta vs tors. theta energy: -13.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -434.685095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.685095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.685095 (E_RNA) where: Base-Base interactions energy: -220.346 where: short stacking energy: -128.927 Base-Backbone interact. energy: -1.002 local terms energy: -213.336633 where: bonds (distance) C4'-P energy: -60.097 bonds (distance) P-C4' energy: -50.581 flat angles C4'-P-C4' energy: -60.303 flat angles P-C4'-P energy: -27.635 tors. eta vs tors. theta energy: -14.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -304.363339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.363339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.363339 (E_RNA) where: Base-Base interactions energy: -110.035 where: short stacking energy: -68.861 Base-Backbone interact. energy: 1.627 local terms energy: -195.955203 where: bonds (distance) C4'-P energy: -62.458 bonds (distance) P-C4' energy: -67.945 flat angles C4'-P-C4' energy: -47.828 flat angles P-C4'-P energy: -27.323 tors. eta vs tors. theta energy: 9.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1156.697244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.697244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.697244 (E_RNA) where: Base-Base interactions energy: -800.924 where: short stacking energy: -321.031 Base-Backbone interact. energy: -2.166 local terms energy: -353.606981 where: bonds (distance) C4'-P energy: -60.911 bonds (distance) P-C4' energy: -68.834 flat angles C4'-P-C4' energy: -74.007 flat angles P-C4'-P energy: -52.076 tors. eta vs tors. theta energy: -97.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1090.630944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.630944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.630944 (E_RNA) where: Base-Base interactions energy: -749.370 where: short stacking energy: -301.387 Base-Backbone interact. energy: -0.916 local terms energy: -340.344844 where: bonds (distance) C4'-P energy: -70.260 bonds (distance) P-C4' energy: -67.371 flat angles C4'-P-C4' energy: -72.895 flat angles P-C4'-P energy: -45.885 tors. eta vs tors. theta energy: -83.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1077.285175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.285175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.285175 (E_RNA) where: Base-Base interactions energy: -739.712 where: short stacking energy: -292.118 Base-Backbone interact. energy: 4.045 local terms energy: -341.617805 where: bonds (distance) C4'-P energy: -66.770 bonds (distance) P-C4' energy: -61.220 flat angles C4'-P-C4' energy: -71.356 flat angles P-C4'-P energy: -47.218 tors. eta vs tors. theta energy: -95.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -955.726443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.726443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.726443 (E_RNA) where: Base-Base interactions energy: -657.078 where: short stacking energy: -261.559 Base-Backbone interact. energy: -1.198 local terms energy: -297.449884 where: bonds (distance) C4'-P energy: -60.152 bonds (distance) P-C4' energy: -57.004 flat angles C4'-P-C4' energy: -74.235 flat angles P-C4'-P energy: -32.556 tors. eta vs tors. theta energy: -73.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -798.159087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.159087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.159087 (E_RNA) where: Base-Base interactions energy: -525.047 where: short stacking energy: -256.429 Base-Backbone interact. energy: -2.002 local terms energy: -271.110072 where: bonds (distance) C4'-P energy: -49.277 bonds (distance) P-C4' energy: -54.513 flat angles C4'-P-C4' energy: -62.034 flat angles P-C4'-P energy: -41.801 tors. eta vs tors. theta energy: -63.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -898.393502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.393502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.393502 (E_RNA) where: Base-Base interactions energy: -611.564 where: short stacking energy: -254.310 Base-Backbone interact. energy: -2.281 local terms energy: -284.548258 where: bonds (distance) C4'-P energy: -48.732 bonds (distance) P-C4' energy: -72.235 flat angles C4'-P-C4' energy: -52.455 flat angles P-C4'-P energy: -36.049 tors. eta vs tors. theta energy: -75.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -794.091235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.091235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.091235 (E_RNA) where: Base-Base interactions energy: -509.272 where: short stacking energy: -239.765 Base-Backbone interact. energy: -0.692 local terms energy: -284.126737 where: bonds (distance) C4'-P energy: -54.096 bonds (distance) P-C4' energy: -57.321 flat angles C4'-P-C4' energy: -65.197 flat angles P-C4'-P energy: -43.488 tors. eta vs tors. theta energy: -64.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -452.256489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.256489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.256489 (E_RNA) where: Base-Base interactions energy: -237.593 where: short stacking energy: -135.938 Base-Backbone interact. energy: 0.241 local terms energy: -214.904624 where: bonds (distance) C4'-P energy: -56.417 bonds (distance) P-C4' energy: -66.889 flat angles C4'-P-C4' energy: -52.413 flat angles P-C4'-P energy: -21.751 tors. eta vs tors. theta energy: -17.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -445.034305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.034305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.034305 (E_RNA) where: Base-Base interactions energy: -228.542 where: short stacking energy: -128.728 Base-Backbone interact. energy: 0.674 local terms energy: -217.165873 where: bonds (distance) C4'-P energy: -45.084 bonds (distance) P-C4' energy: -63.207 flat angles C4'-P-C4' energy: -49.057 flat angles P-C4'-P energy: -39.125 tors. eta vs tors. theta energy: -20.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -273.898290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.898290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.898290 (E_RNA) where: Base-Base interactions energy: -109.696 where: short stacking energy: -80.921 Base-Backbone interact. energy: 0.666 local terms energy: -164.868238 where: bonds (distance) C4'-P energy: -55.201 bonds (distance) P-C4' energy: -49.065 flat angles C4'-P-C4' energy: -39.894 flat angles P-C4'-P energy: -29.848 tors. eta vs tors. theta energy: 9.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1170.495023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.495023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.495023 (E_RNA) where: Base-Base interactions energy: -812.804 where: short stacking energy: -321.990 Base-Backbone interact. energy: -2.374 local terms energy: -355.316767 where: bonds (distance) C4'-P energy: -67.000 bonds (distance) P-C4' energy: -66.536 flat angles C4'-P-C4' energy: -75.984 flat angles P-C4'-P energy: -53.214 tors. eta vs tors. theta energy: -92.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1094.325792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.325792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.325792 (E_RNA) where: Base-Base interactions energy: -768.158 where: short stacking energy: -328.031 Base-Backbone interact. energy: -1.284 local terms energy: -324.884587 where: bonds (distance) C4'-P energy: -55.633 bonds (distance) P-C4' energy: -57.052 flat angles C4'-P-C4' energy: -74.955 flat angles P-C4'-P energy: -44.536 tors. eta vs tors. theta energy: -92.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1068.678071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.678071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.678071 (E_RNA) where: Base-Base interactions energy: -761.572 where: short stacking energy: -312.120 Base-Backbone interact. energy: -2.284 local terms energy: -304.821813 where: bonds (distance) C4'-P energy: -53.855 bonds (distance) P-C4' energy: -54.976 flat angles C4'-P-C4' energy: -64.130 flat angles P-C4'-P energy: -47.642 tors. eta vs tors. theta energy: -84.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -958.924581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.924581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.924581 (E_RNA) where: Base-Base interactions energy: -640.587 where: short stacking energy: -269.769 Base-Backbone interact. energy: -0.698 local terms energy: -317.638992 where: bonds (distance) C4'-P energy: -66.780 bonds (distance) P-C4' energy: -56.635 flat angles C4'-P-C4' energy: -65.443 flat angles P-C4'-P energy: -49.200 tors. eta vs tors. theta energy: -79.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -839.204246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.204246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.204246 (E_RNA) where: Base-Base interactions energy: -543.894 where: short stacking energy: -259.368 Base-Backbone interact. energy: -0.735 local terms energy: -294.575715 where: bonds (distance) C4'-P energy: -46.603 bonds (distance) P-C4' energy: -72.464 flat angles C4'-P-C4' energy: -65.637 flat angles P-C4'-P energy: -39.375 tors. eta vs tors. theta energy: -70.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -875.809959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.809959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.809959 (E_RNA) where: Base-Base interactions energy: -595.704 where: short stacking energy: -246.739 Base-Backbone interact. energy: 0.201 local terms energy: -280.307253 where: bonds (distance) C4'-P energy: -50.191 bonds (distance) P-C4' energy: -51.523 flat angles C4'-P-C4' energy: -64.926 flat angles P-C4'-P energy: -35.892 tors. eta vs tors. theta energy: -77.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -781.255472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.255472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.255472 (E_RNA) where: Base-Base interactions energy: -501.772 where: short stacking energy: -221.828 Base-Backbone interact. energy: -2.873 local terms energy: -276.610464 where: bonds (distance) C4'-P energy: -62.622 bonds (distance) P-C4' energy: -62.035 flat angles C4'-P-C4' energy: -56.353 flat angles P-C4'-P energy: -40.555 tors. eta vs tors. theta energy: -55.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -453.096294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.096294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.096294 (E_RNA) where: Base-Base interactions energy: -254.971 where: short stacking energy: -132.762 Base-Backbone interact. energy: 0.678 local terms energy: -198.802795 where: bonds (distance) C4'-P energy: -50.529 bonds (distance) P-C4' energy: -58.517 flat angles C4'-P-C4' energy: -51.868 flat angles P-C4'-P energy: -30.684 tors. eta vs tors. theta energy: -7.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -440.382367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.382367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.382367 (E_RNA) where: Base-Base interactions energy: -234.847 where: short stacking energy: -135.540 Base-Backbone interact. energy: -1.325 local terms energy: -204.211081 where: bonds (distance) C4'-P energy: -51.650 bonds (distance) P-C4' energy: -62.350 flat angles C4'-P-C4' energy: -51.475 flat angles P-C4'-P energy: -23.271 tors. eta vs tors. theta energy: -15.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -293.918683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.918683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.918683 (E_RNA) where: Base-Base interactions energy: -121.316 where: short stacking energy: -83.286 Base-Backbone interact. energy: -0.154 local terms energy: -172.448985 where: bonds (distance) C4'-P energy: -62.979 bonds (distance) P-C4' energy: -52.131 flat angles C4'-P-C4' energy: -34.750 flat angles P-C4'-P energy: -33.663 tors. eta vs tors. theta energy: 11.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1155.887757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.887757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.887757 (E_RNA) where: Base-Base interactions energy: -805.214 where: short stacking energy: -319.149 Base-Backbone interact. energy: -1.600 local terms energy: -349.073727 where: bonds (distance) C4'-P energy: -69.057 bonds (distance) P-C4' energy: -67.933 flat angles C4'-P-C4' energy: -73.421 flat angles P-C4'-P energy: -46.757 tors. eta vs tors. theta energy: -91.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1104.697266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.697266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.697266 (E_RNA) where: Base-Base interactions energy: -765.858 where: short stacking energy: -309.958 Base-Backbone interact. energy: -1.415 local terms energy: -337.423715 where: bonds (distance) C4'-P energy: -65.778 bonds (distance) P-C4' energy: -58.831 flat angles C4'-P-C4' energy: -77.455 flat angles P-C4'-P energy: -45.870 tors. eta vs tors. theta energy: -89.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1053.346182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.346182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.346182 (E_RNA) where: Base-Base interactions energy: -733.302 where: short stacking energy: -295.572 Base-Backbone interact. energy: -0.881 local terms energy: -319.163144 where: bonds (distance) C4'-P energy: -58.557 bonds (distance) P-C4' energy: -56.872 flat angles C4'-P-C4' energy: -67.804 flat angles P-C4'-P energy: -51.934 tors. eta vs tors. theta energy: -83.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -948.459472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.459472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.459472 (E_RNA) where: Base-Base interactions energy: -653.483 where: short stacking energy: -274.781 Base-Backbone interact. energy: 2.410 local terms energy: -297.386674 where: bonds (distance) C4'-P energy: -49.336 bonds (distance) P-C4' energy: -67.447 flat angles C4'-P-C4' energy: -62.993 flat angles P-C4'-P energy: -45.314 tors. eta vs tors. theta energy: -72.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -923.300467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.300467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.300467 (E_RNA) where: Base-Base interactions energy: -606.201 where: short stacking energy: -244.302 Base-Backbone interact. energy: -1.654 local terms energy: -315.445583 where: bonds (distance) C4'-P energy: -59.218 bonds (distance) P-C4' energy: -59.787 flat angles C4'-P-C4' energy: -69.711 flat angles P-C4'-P energy: -44.870 tors. eta vs tors. theta energy: -81.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -776.079504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.079504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.079504 (E_RNA) where: Base-Base interactions energy: -493.075 where: short stacking energy: -240.011 Base-Backbone interact. energy: 0.346 local terms energy: -283.350217 where: bonds (distance) C4'-P energy: -66.868 bonds (distance) P-C4' energy: -56.223 flat angles C4'-P-C4' energy: -63.136 flat angles P-C4'-P energy: -45.131 tors. eta vs tors. theta energy: -51.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -780.677781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.677781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.677781 (E_RNA) where: Base-Base interactions energy: -524.821 where: short stacking energy: -224.719 Base-Backbone interact. energy: 1.590 local terms energy: -257.446511 where: bonds (distance) C4'-P energy: -48.432 bonds (distance) P-C4' energy: -49.973 flat angles C4'-P-C4' energy: -63.998 flat angles P-C4'-P energy: -33.838 tors. eta vs tors. theta energy: -61.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -506.273317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.273317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.273317 (E_RNA) where: Base-Base interactions energy: -298.476 where: short stacking energy: -156.013 Base-Backbone interact. energy: 0.353 local terms energy: -208.150248 where: bonds (distance) C4'-P energy: -52.850 bonds (distance) P-C4' energy: -56.622 flat angles C4'-P-C4' energy: -57.139 flat angles P-C4'-P energy: -17.208 tors. eta vs tors. theta energy: -24.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -464.046555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.046555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.046555 (E_RNA) where: Base-Base interactions energy: -261.277 where: short stacking energy: -123.100 Base-Backbone interact. energy: -0.802 local terms energy: -201.968082 where: bonds (distance) C4'-P energy: -48.016 bonds (distance) P-C4' energy: -63.515 flat angles C4'-P-C4' energy: -46.285 flat angles P-C4'-P energy: -33.721 tors. eta vs tors. theta energy: -10.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -281.217957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.217957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.217957 (E_RNA) where: Base-Base interactions energy: -108.823 where: short stacking energy: -77.376 Base-Backbone interact. energy: 4.255 local terms energy: -176.649911 where: bonds (distance) C4'-P energy: -48.685 bonds (distance) P-C4' energy: -62.655 flat angles C4'-P-C4' energy: -53.003 flat angles P-C4'-P energy: -20.392 tors. eta vs tors. theta energy: 8.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1157.511297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.511297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.511297 (E_RNA) where: Base-Base interactions energy: -819.364 where: short stacking energy: -336.603 Base-Backbone interact. energy: -0.853 local terms energy: -337.294766 where: bonds (distance) C4'-P energy: -65.827 bonds (distance) P-C4' energy: -65.735 flat angles C4'-P-C4' energy: -70.926 flat angles P-C4'-P energy: -42.714 tors. eta vs tors. theta energy: -92.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1095.070463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.070463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.070463 (E_RNA) where: Base-Base interactions energy: -757.027 where: short stacking energy: -318.247 Base-Backbone interact. energy: -0.804 local terms energy: -337.239450 where: bonds (distance) C4'-P energy: -67.762 bonds (distance) P-C4' energy: -68.581 flat angles C4'-P-C4' energy: -69.769 flat angles P-C4'-P energy: -42.722 tors. eta vs tors. theta energy: -88.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1042.962217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.962217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.962217 (E_RNA) where: Base-Base interactions energy: -722.910 where: short stacking energy: -287.928 Base-Backbone interact. energy: -0.727 local terms energy: -319.325462 where: bonds (distance) C4'-P energy: -59.447 bonds (distance) P-C4' energy: -59.559 flat angles C4'-P-C4' energy: -68.445 flat angles P-C4'-P energy: -46.789 tors. eta vs tors. theta energy: -85.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -936.819866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.819866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.819866 (E_RNA) where: Base-Base interactions energy: -632.025 where: short stacking energy: -280.567 Base-Backbone interact. energy: 0.002 local terms energy: -304.796963 where: bonds (distance) C4'-P energy: -60.698 bonds (distance) P-C4' energy: -56.864 flat angles C4'-P-C4' energy: -65.273 flat angles P-C4'-P energy: -41.098 tors. eta vs tors. theta energy: -80.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -939.774922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.774922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.774922 (E_RNA) where: Base-Base interactions energy: -651.494 where: short stacking energy: -287.122 Base-Backbone interact. energy: 0.230 local terms energy: -288.511447 where: bonds (distance) C4'-P energy: -38.444 bonds (distance) P-C4' energy: -65.496 flat angles C4'-P-C4' energy: -69.215 flat angles P-C4'-P energy: -34.379 tors. eta vs tors. theta energy: -80.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -788.259118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.259118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.259118 (E_RNA) where: Base-Base interactions energy: -518.889 where: short stacking energy: -235.271 Base-Backbone interact. energy: -2.141 local terms energy: -267.228563 where: bonds (distance) C4'-P energy: -54.138 bonds (distance) P-C4' energy: -51.294 flat angles C4'-P-C4' energy: -64.728 flat angles P-C4'-P energy: -35.432 tors. eta vs tors. theta energy: -61.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -810.911982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.911982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.911982 (E_RNA) where: Base-Base interactions energy: -565.115 where: short stacking energy: -229.176 Base-Backbone interact. energy: -0.936 local terms energy: -244.861708 where: bonds (distance) C4'-P energy: -44.145 bonds (distance) P-C4' energy: -48.801 flat angles C4'-P-C4' energy: -57.797 flat angles P-C4'-P energy: -34.731 tors. eta vs tors. theta energy: -59.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -506.082093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.082093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.082093 (E_RNA) where: Base-Base interactions energy: -300.821 where: short stacking energy: -139.846 Base-Backbone interact. energy: 0.923 local terms energy: -206.184175 where: bonds (distance) C4'-P energy: -45.826 bonds (distance) P-C4' energy: -49.122 flat angles C4'-P-C4' energy: -58.804 flat angles P-C4'-P energy: -34.656 tors. eta vs tors. theta energy: -17.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -423.531828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.531828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.531828 (E_RNA) where: Base-Base interactions energy: -233.273 where: short stacking energy: -107.735 Base-Backbone interact. energy: 0.654 local terms energy: -190.912787 where: bonds (distance) C4'-P energy: -63.180 bonds (distance) P-C4' energy: -59.093 flat angles C4'-P-C4' energy: -46.376 flat angles P-C4'-P energy: -30.003 tors. eta vs tors. theta energy: 7.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -315.257085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.257085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.257085 (E_RNA) where: Base-Base interactions energy: -144.036 where: short stacking energy: -99.476 Base-Backbone interact. energy: 3.360 local terms energy: -174.581439 where: bonds (distance) C4'-P energy: -51.696 bonds (distance) P-C4' energy: -44.886 flat angles C4'-P-C4' energy: -56.866 flat angles P-C4'-P energy: -24.374 tors. eta vs tors. theta energy: 3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1155.111523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.111523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.111523 (E_RNA) where: Base-Base interactions energy: -813.774 where: short stacking energy: -327.149 Base-Backbone interact. energy: -1.635 local terms energy: -339.702788 where: bonds (distance) C4'-P energy: -61.613 bonds (distance) P-C4' energy: -69.362 flat angles C4'-P-C4' energy: -72.816 flat angles P-C4'-P energy: -46.639 tors. eta vs tors. theta energy: -89.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1109.645987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.645987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.645987 (E_RNA) where: Base-Base interactions energy: -771.486 where: short stacking energy: -316.025 Base-Backbone interact. energy: 2.640 local terms energy: -340.800447 where: bonds (distance) C4'-P energy: -67.139 bonds (distance) P-C4' energy: -64.512 flat angles C4'-P-C4' energy: -74.675 flat angles P-C4'-P energy: -40.654 tors. eta vs tors. theta energy: -93.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1071.709885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.709885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.709885 (E_RNA) where: Base-Base interactions energy: -737.182 where: short stacking energy: -304.855 Base-Backbone interact. energy: -1.345 local terms energy: -333.182805 where: bonds (distance) C4'-P energy: -64.601 bonds (distance) P-C4' energy: -59.470 flat angles C4'-P-C4' energy: -72.517 flat angles P-C4'-P energy: -50.728 tors. eta vs tors. theta energy: -85.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -942.625577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.625577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.625577 (E_RNA) where: Base-Base interactions energy: -620.256 where: short stacking energy: -255.696 Base-Backbone interact. energy: -2.194 local terms energy: -320.175841 where: bonds (distance) C4'-P energy: -61.300 bonds (distance) P-C4' energy: -70.071 flat angles C4'-P-C4' energy: -61.306 flat angles P-C4'-P energy: -47.891 tors. eta vs tors. theta energy: -79.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -952.670796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.670796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.670796 (E_RNA) where: Base-Base interactions energy: -658.129 where: short stacking energy: -291.730 Base-Backbone interact. energy: -2.165 local terms energy: -292.376247 where: bonds (distance) C4'-P energy: -55.713 bonds (distance) P-C4' energy: -52.195 flat angles C4'-P-C4' energy: -64.859 flat angles P-C4'-P energy: -32.922 tors. eta vs tors. theta energy: -86.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -811.416413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.416413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.416413 (E_RNA) where: Base-Base interactions energy: -527.934 where: short stacking energy: -253.549 Base-Backbone interact. energy: 2.448 local terms energy: -285.930591 where: bonds (distance) C4'-P energy: -58.345 bonds (distance) P-C4' energy: -52.768 flat angles C4'-P-C4' energy: -65.386 flat angles P-C4'-P energy: -42.026 tors. eta vs tors. theta energy: -67.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -839.849363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.849363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.849363 (E_RNA) where: Base-Base interactions energy: -572.144 where: short stacking energy: -251.454 Base-Backbone interact. energy: -0.006 local terms energy: -267.700001 where: bonds (distance) C4'-P energy: -59.917 bonds (distance) P-C4' energy: -55.542 flat angles C4'-P-C4' energy: -51.984 flat angles P-C4'-P energy: -35.374 tors. eta vs tors. theta energy: -64.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -480.086197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.086197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.086197 (E_RNA) where: Base-Base interactions energy: -266.114 where: short stacking energy: -141.227 Base-Backbone interact. energy: -0.854 local terms energy: -213.117646 where: bonds (distance) C4'-P energy: -53.381 bonds (distance) P-C4' energy: -58.039 flat angles C4'-P-C4' energy: -50.291 flat angles P-C4'-P energy: -29.328 tors. eta vs tors. theta energy: -22.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -438.239934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.239934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.239934 (E_RNA) where: Base-Base interactions energy: -241.501 where: short stacking energy: -129.095 Base-Backbone interact. energy: -1.374 local terms energy: -195.364444 where: bonds (distance) C4'-P energy: -43.827 bonds (distance) P-C4' energy: -69.918 flat angles C4'-P-C4' energy: -37.122 flat angles P-C4'-P energy: -27.081 tors. eta vs tors. theta energy: -17.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -264.933032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.933032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.933032 (E_RNA) where: Base-Base interactions energy: -90.039 where: short stacking energy: -84.824 Base-Backbone interact. energy: -0.848 local terms energy: -174.045805 where: bonds (distance) C4'-P energy: -51.537 bonds (distance) P-C4' energy: -49.993 flat angles C4'-P-C4' energy: -50.930 flat angles P-C4'-P energy: -26.072 tors. eta vs tors. theta energy: 4.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1152.579664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.579664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.579664 (E_RNA) where: Base-Base interactions energy: -798.427 where: short stacking energy: -320.599 Base-Backbone interact. energy: -1.024 local terms energy: -353.128511 where: bonds (distance) C4'-P energy: -65.954 bonds (distance) P-C4' energy: -67.298 flat angles C4'-P-C4' energy: -77.240 flat angles P-C4'-P energy: -51.715 tors. eta vs tors. theta energy: -90.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1095.654301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.654301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.654301 (E_RNA) where: Base-Base interactions energy: -770.875 where: short stacking energy: -320.729 Base-Backbone interact. energy: -1.416 local terms energy: -323.364203 where: bonds (distance) C4'-P energy: -57.550 bonds (distance) P-C4' energy: -61.589 flat angles C4'-P-C4' energy: -69.791 flat angles P-C4'-P energy: -43.049 tors. eta vs tors. theta energy: -91.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1043.997036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.997036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.997036 (E_RNA) where: Base-Base interactions energy: -717.773 where: short stacking energy: -301.186 Base-Backbone interact. energy: -2.128 local terms energy: -324.096015 where: bonds (distance) C4'-P energy: -62.304 bonds (distance) P-C4' energy: -70.875 flat angles C4'-P-C4' energy: -70.393 flat angles P-C4'-P energy: -39.637 tors. eta vs tors. theta energy: -80.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -957.315092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.315092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.315092 (E_RNA) where: Base-Base interactions energy: -638.907 where: short stacking energy: -271.073 Base-Backbone interact. energy: -3.171 local terms energy: -315.236787 where: bonds (distance) C4'-P energy: -48.355 bonds (distance) P-C4' energy: -71.905 flat angles C4'-P-C4' energy: -63.204 flat angles P-C4'-P energy: -50.520 tors. eta vs tors. theta energy: -81.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -901.927452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.927452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.927452 (E_RNA) where: Base-Base interactions energy: -605.247 where: short stacking energy: -260.093 Base-Backbone interact. energy: -1.277 local terms energy: -295.404271 where: bonds (distance) C4'-P energy: -63.851 bonds (distance) P-C4' energy: -54.486 flat angles C4'-P-C4' energy: -51.002 flat angles P-C4'-P energy: -45.918 tors. eta vs tors. theta energy: -80.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -796.699243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.699243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.699243 (E_RNA) where: Base-Base interactions energy: -521.540 where: short stacking energy: -240.662 Base-Backbone interact. energy: -0.478 local terms energy: -274.681205 where: bonds (distance) C4'-P energy: -56.473 bonds (distance) P-C4' energy: -54.679 flat angles C4'-P-C4' energy: -62.715 flat angles P-C4'-P energy: -42.229 tors. eta vs tors. theta energy: -58.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -786.842523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.842523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.842523 (E_RNA) where: Base-Base interactions energy: -504.612 where: short stacking energy: -225.045 Base-Backbone interact. energy: -0.860 local terms energy: -281.370649 where: bonds (distance) C4'-P energy: -58.786 bonds (distance) P-C4' energy: -58.036 flat angles C4'-P-C4' energy: -66.363 flat angles P-C4'-P energy: -43.243 tors. eta vs tors. theta energy: -54.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -456.232603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.232603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.232603 (E_RNA) where: Base-Base interactions energy: -256.040 where: short stacking energy: -143.704 Base-Backbone interact. energy: -1.191 local terms energy: -199.002164 where: bonds (distance) C4'-P energy: -47.570 bonds (distance) P-C4' energy: -63.915 flat angles C4'-P-C4' energy: -50.101 flat angles P-C4'-P energy: -25.485 tors. eta vs tors. theta energy: -11.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -469.596519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.596519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.596519 (E_RNA) where: Base-Base interactions energy: -252.901 where: short stacking energy: -133.229 Base-Backbone interact. energy: -1.104 local terms energy: -215.591428 where: bonds (distance) C4'-P energy: -53.819 bonds (distance) P-C4' energy: -66.976 flat angles C4'-P-C4' energy: -45.473 flat angles P-C4'-P energy: -28.285 tors. eta vs tors. theta energy: -21.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -277.918052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.918052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.918052 (E_RNA) where: Base-Base interactions energy: -101.952 where: short stacking energy: -86.878 Base-Backbone interact. energy: -0.361 local terms energy: -175.604930 where: bonds (distance) C4'-P energy: -56.214 bonds (distance) P-C4' energy: -54.441 flat angles C4'-P-C4' energy: -47.619 flat angles P-C4'-P energy: -18.889 tors. eta vs tors. theta energy: 1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1157.920020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.920020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.920020 (E_RNA) where: Base-Base interactions energy: -823.369 where: short stacking energy: -314.882 Base-Backbone interact. energy: -0.776 local terms energy: -333.774746 where: bonds (distance) C4'-P energy: -59.927 bonds (distance) P-C4' energy: -62.889 flat angles C4'-P-C4' energy: -69.408 flat angles P-C4'-P energy: -52.727 tors. eta vs tors. theta energy: -88.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1116.989838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.989838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.989838 (E_RNA) where: Base-Base interactions energy: -777.829 where: short stacking energy: -322.899 Base-Backbone interact. energy: -2.303 local terms energy: -336.857085 where: bonds (distance) C4'-P energy: -60.369 bonds (distance) P-C4' energy: -66.349 flat angles C4'-P-C4' energy: -66.068 flat angles P-C4'-P energy: -47.292 tors. eta vs tors. theta energy: -96.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1073.963764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.963764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.963764 (E_RNA) where: Base-Base interactions energy: -736.407 where: short stacking energy: -294.393 Base-Backbone interact. energy: -2.556 local terms energy: -335.001085 where: bonds (distance) C4'-P energy: -60.392 bonds (distance) P-C4' energy: -64.965 flat angles C4'-P-C4' energy: -69.753 flat angles P-C4'-P energy: -51.120 tors. eta vs tors. theta energy: -88.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -941.810548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.810548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.810548 (E_RNA) where: Base-Base interactions energy: -633.180 where: short stacking energy: -258.350 Base-Backbone interact. energy: -2.399 local terms energy: -306.231241 where: bonds (distance) C4'-P energy: -64.124 bonds (distance) P-C4' energy: -61.778 flat angles C4'-P-C4' energy: -70.224 flat angles P-C4'-P energy: -39.796 tors. eta vs tors. theta energy: -70.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -930.458072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.458072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.458072 (E_RNA) where: Base-Base interactions energy: -638.843 where: short stacking energy: -274.519 Base-Backbone interact. energy: -0.717 local terms energy: -290.897676 where: bonds (distance) C4'-P energy: -65.359 bonds (distance) P-C4' energy: -53.560 flat angles C4'-P-C4' energy: -57.141 flat angles P-C4'-P energy: -43.356 tors. eta vs tors. theta energy: -71.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -799.626452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.626452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.626452 (E_RNA) where: Base-Base interactions energy: -540.834 where: short stacking energy: -256.937 Base-Backbone interact. energy: -1.828 local terms energy: -256.964706 where: bonds (distance) C4'-P energy: -46.914 bonds (distance) P-C4' energy: -57.285 flat angles C4'-P-C4' energy: -49.907 flat angles P-C4'-P energy: -40.928 tors. eta vs tors. theta energy: -61.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -752.962190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.962190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.962190 (E_RNA) where: Base-Base interactions energy: -490.451 where: short stacking energy: -222.341 Base-Backbone interact. energy: -0.552 local terms energy: -261.958781 where: bonds (distance) C4'-P energy: -56.622 bonds (distance) P-C4' energy: -51.768 flat angles C4'-P-C4' energy: -56.083 flat angles P-C4'-P energy: -43.266 tors. eta vs tors. theta energy: -54.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -440.842465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.842465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.842465 (E_RNA) where: Base-Base interactions energy: -234.910 where: short stacking energy: -143.334 Base-Backbone interact. energy: 7.592 local terms energy: -213.524971 where: bonds (distance) C4'-P energy: -53.096 bonds (distance) P-C4' energy: -65.228 flat angles C4'-P-C4' energy: -43.423 flat angles P-C4'-P energy: -36.741 tors. eta vs tors. theta energy: -15.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -474.301819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.301819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.301819 (E_RNA) where: Base-Base interactions energy: -267.761 where: short stacking energy: -143.098 Base-Backbone interact. energy: -0.093 local terms energy: -206.448151 where: bonds (distance) C4'-P energy: -49.213 bonds (distance) P-C4' energy: -55.572 flat angles C4'-P-C4' energy: -48.931 flat angles P-C4'-P energy: -34.986 tors. eta vs tors. theta energy: -17.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -269.986170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.986170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.986170 (E_RNA) where: Base-Base interactions energy: -110.137 where: short stacking energy: -69.187 Base-Backbone interact. energy: -1.328 local terms energy: -158.521298 where: bonds (distance) C4'-P energy: -53.691 bonds (distance) P-C4' energy: -52.752 flat angles C4'-P-C4' energy: -44.392 flat angles P-C4'-P energy: -29.348 tors. eta vs tors. theta energy: 21.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1150.385663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.385663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.385663 (E_RNA) where: Base-Base interactions energy: -822.051 where: short stacking energy: -324.759 Base-Backbone interact. energy: 0.340 local terms energy: -328.675168 where: bonds (distance) C4'-P energy: -55.943 bonds (distance) P-C4' energy: -68.692 flat angles C4'-P-C4' energy: -68.037 flat angles P-C4'-P energy: -48.380 tors. eta vs tors. theta energy: -87.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1082.681157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.681157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.681157 (E_RNA) where: Base-Base interactions energy: -744.397 where: short stacking energy: -298.497 Base-Backbone interact. energy: -1.598 local terms energy: -336.686597 where: bonds (distance) C4'-P energy: -64.010 bonds (distance) P-C4' energy: -68.026 flat angles C4'-P-C4' energy: -67.555 flat angles P-C4'-P energy: -51.358 tors. eta vs tors. theta energy: -85.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1083.070972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.070972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.070972 (E_RNA) where: Base-Base interactions energy: -753.287 where: short stacking energy: -312.738 Base-Backbone interact. energy: 0.022 local terms energy: -329.805398 where: bonds (distance) C4'-P energy: -54.024 bonds (distance) P-C4' energy: -65.510 flat angles C4'-P-C4' energy: -71.882 flat angles P-C4'-P energy: -45.084 tors. eta vs tors. theta energy: -93.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -954.571369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.571369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.571369 (E_RNA) where: Base-Base interactions energy: -652.811 where: short stacking energy: -273.036 Base-Backbone interact. energy: -2.375 local terms energy: -299.385323 where: bonds (distance) C4'-P energy: -65.081 bonds (distance) P-C4' energy: -61.281 flat angles C4'-P-C4' energy: -64.938 flat angles P-C4'-P energy: -31.940 tors. eta vs tors. theta energy: -76.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -942.518837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.518837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.518837 (E_RNA) where: Base-Base interactions energy: -619.870 where: short stacking energy: -278.396 Base-Backbone interact. energy: 1.321 local terms energy: -323.970548 where: bonds (distance) C4'-P energy: -57.315 bonds (distance) P-C4' energy: -59.347 flat angles C4'-P-C4' energy: -72.549 flat angles P-C4'-P energy: -55.888 tors. eta vs tors. theta energy: -78.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -798.312537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.312537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.312537 (E_RNA) where: Base-Base interactions energy: -514.170 where: short stacking energy: -245.844 Base-Backbone interact. energy: 1.258 local terms energy: -285.400576 where: bonds (distance) C4'-P energy: -63.709 bonds (distance) P-C4' energy: -60.034 flat angles C4'-P-C4' energy: -62.039 flat angles P-C4'-P energy: -37.095 tors. eta vs tors. theta energy: -62.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -733.304325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.304325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.304325 (E_RNA) where: Base-Base interactions energy: -472.443 where: short stacking energy: -228.145 Base-Backbone interact. energy: -1.830 local terms energy: -259.030995 where: bonds (distance) C4'-P energy: -45.832 bonds (distance) P-C4' energy: -49.685 flat angles C4'-P-C4' energy: -61.950 flat angles P-C4'-P energy: -39.086 tors. eta vs tors. theta energy: -62.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -478.039779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.039779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.039779 (E_RNA) where: Base-Base interactions energy: -255.184 where: short stacking energy: -133.084 Base-Backbone interact. energy: -0.618 local terms energy: -222.237762 where: bonds (distance) C4'-P energy: -61.795 bonds (distance) P-C4' energy: -58.046 flat angles C4'-P-C4' energy: -50.344 flat angles P-C4'-P energy: -37.400 tors. eta vs tors. theta energy: -14.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -428.764642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.764642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.764642 (E_RNA) where: Base-Base interactions energy: -235.459 where: short stacking energy: -143.881 Base-Backbone interact. energy: 0.987 local terms energy: -194.292462 where: bonds (distance) C4'-P energy: -53.689 bonds (distance) P-C4' energy: -49.706 flat angles C4'-P-C4' energy: -43.665 flat angles P-C4'-P energy: -28.838 tors. eta vs tors. theta energy: -18.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -253.955396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.955396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.955396 (E_RNA) where: Base-Base interactions energy: -74.393 where: short stacking energy: -71.041 Base-Backbone interact. energy: -0.062 local terms energy: -179.500159 where: bonds (distance) C4'-P energy: -59.391 bonds (distance) P-C4' energy: -49.301 flat angles C4'-P-C4' energy: -45.310 flat angles P-C4'-P energy: -33.663 tors. eta vs tors. theta energy: 8.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1169.254855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.254855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.254855 (E_RNA) where: Base-Base interactions energy: -837.578 where: short stacking energy: -322.270 Base-Backbone interact. energy: -0.268 local terms energy: -331.408816 where: bonds (distance) C4'-P energy: -66.233 bonds (distance) P-C4' energy: -61.301 flat angles C4'-P-C4' energy: -72.569 flat angles P-C4'-P energy: -41.238 tors. eta vs tors. theta energy: -90.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1088.739340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.739340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.739340 (E_RNA) where: Base-Base interactions energy: -766.616 where: short stacking energy: -298.515 Base-Backbone interact. energy: -2.394 local terms energy: -319.729152 where: bonds (distance) C4'-P energy: -56.554 bonds (distance) P-C4' energy: -55.604 flat angles C4'-P-C4' energy: -73.849 flat angles P-C4'-P energy: -46.305 tors. eta vs tors. theta energy: -87.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1081.559520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.559520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.559520 (E_RNA) where: Base-Base interactions energy: -767.423 where: short stacking energy: -307.882 Base-Backbone interact. energy: 2.999 local terms energy: -317.135480 where: bonds (distance) C4'-P energy: -56.200 bonds (distance) P-C4' energy: -60.830 flat angles C4'-P-C4' energy: -67.705 flat angles P-C4'-P energy: -44.772 tors. eta vs tors. theta energy: -87.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -959.280526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.280526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.280526 (E_RNA) where: Base-Base interactions energy: -672.443 where: short stacking energy: -281.343 Base-Backbone interact. energy: -3.289 local terms energy: -283.549218 where: bonds (distance) C4'-P energy: -54.987 bonds (distance) P-C4' energy: -49.443 flat angles C4'-P-C4' energy: -67.131 flat angles P-C4'-P energy: -34.050 tors. eta vs tors. theta energy: -77.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -952.764804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.764804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.764804 (E_RNA) where: Base-Base interactions energy: -654.049 where: short stacking energy: -279.971 Base-Backbone interact. energy: -1.611 local terms energy: -297.104141 where: bonds (distance) C4'-P energy: -56.782 bonds (distance) P-C4' energy: -53.957 flat angles C4'-P-C4' energy: -64.683 flat angles P-C4'-P energy: -38.800 tors. eta vs tors. theta energy: -82.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -806.303506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.303506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.303506 (E_RNA) where: Base-Base interactions energy: -527.221 where: short stacking energy: -242.418 Base-Backbone interact. energy: -1.701 local terms energy: -277.381577 where: bonds (distance) C4'-P energy: -57.722 bonds (distance) P-C4' energy: -55.401 flat angles C4'-P-C4' energy: -57.990 flat angles P-C4'-P energy: -44.256 tors. eta vs tors. theta energy: -62.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -730.324421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.324421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.324421 (E_RNA) where: Base-Base interactions energy: -475.402 where: short stacking energy: -202.721 Base-Backbone interact. energy: -0.682 local terms energy: -254.240723 where: bonds (distance) C4'-P energy: -53.503 bonds (distance) P-C4' energy: -58.117 flat angles C4'-P-C4' energy: -55.952 flat angles P-C4'-P energy: -41.081 tors. eta vs tors. theta energy: -45.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -496.267083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.267083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.267083 (E_RNA) where: Base-Base interactions energy: -284.658 where: short stacking energy: -170.021 Base-Backbone interact. energy: 1.702 local terms energy: -213.310641 where: bonds (distance) C4'-P energy: -58.087 bonds (distance) P-C4' energy: -59.840 flat angles C4'-P-C4' energy: -55.090 flat angles P-C4'-P energy: -17.880 tors. eta vs tors. theta energy: -22.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -420.300523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.300523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.300523 (E_RNA) where: Base-Base interactions energy: -225.798 where: short stacking energy: -128.186 Base-Backbone interact. energy: -1.474 local terms energy: -193.028265 where: bonds (distance) C4'-P energy: -59.279 bonds (distance) P-C4' energy: -43.871 flat angles C4'-P-C4' energy: -51.243 flat angles P-C4'-P energy: -30.100 tors. eta vs tors. theta energy: -8.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -266.838008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.838008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.838008 (E_RNA) where: Base-Base interactions energy: -83.901 where: short stacking energy: -63.711 Base-Backbone interact. energy: 0.400 local terms energy: -183.336674 where: bonds (distance) C4'-P energy: -56.561 bonds (distance) P-C4' energy: -62.818 flat angles C4'-P-C4' energy: -48.126 flat angles P-C4'-P energy: -31.649 tors. eta vs tors. theta energy: 15.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1163.918207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.918207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.918207 (E_RNA) where: Base-Base interactions energy: -815.056 where: short stacking energy: -314.298 Base-Backbone interact. energy: -0.496 local terms energy: -348.365692 where: bonds (distance) C4'-P energy: -68.122 bonds (distance) P-C4' energy: -70.733 flat angles C4'-P-C4' energy: -66.916 flat angles P-C4'-P energy: -57.498 tors. eta vs tors. theta energy: -85.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1113.416085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.416085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.416085 (E_RNA) where: Base-Base interactions energy: -780.389 where: short stacking energy: -324.716 Base-Backbone interact. energy: -5.212 local terms energy: -327.815201 where: bonds (distance) C4'-P energy: -58.866 bonds (distance) P-C4' energy: -61.909 flat angles C4'-P-C4' energy: -73.026 flat angles P-C4'-P energy: -40.597 tors. eta vs tors. theta energy: -93.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1064.686597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.686597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.686597 (E_RNA) where: Base-Base interactions energy: -751.602 where: short stacking energy: -311.004 Base-Backbone interact. energy: -1.624 local terms energy: -311.460631 where: bonds (distance) C4'-P energy: -48.748 bonds (distance) P-C4' energy: -59.743 flat angles C4'-P-C4' energy: -71.755 flat angles P-C4'-P energy: -43.938 tors. eta vs tors. theta energy: -87.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -972.917728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.917728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.917728 (E_RNA) where: Base-Base interactions energy: -666.674 where: short stacking energy: -298.905 Base-Backbone interact. energy: 1.327 local terms energy: -307.570896 where: bonds (distance) C4'-P energy: -55.659 bonds (distance) P-C4' energy: -60.648 flat angles C4'-P-C4' energy: -55.443 flat angles P-C4'-P energy: -44.449 tors. eta vs tors. theta energy: -91.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -916.225205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.225205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.225205 (E_RNA) where: Base-Base interactions energy: -615.825 where: short stacking energy: -266.443 Base-Backbone interact. energy: -0.489 local terms energy: -299.910811 where: bonds (distance) C4'-P energy: -57.972 bonds (distance) P-C4' energy: -62.706 flat angles C4'-P-C4' energy: -67.731 flat angles P-C4'-P energy: -36.678 tors. eta vs tors. theta energy: -74.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -824.148873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.148873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.148873 (E_RNA) where: Base-Base interactions energy: -545.616 where: short stacking energy: -258.832 Base-Backbone interact. energy: -2.665 local terms energy: -275.867588 where: bonds (distance) C4'-P energy: -52.988 bonds (distance) P-C4' energy: -57.173 flat angles C4'-P-C4' energy: -58.298 flat angles P-C4'-P energy: -41.345 tors. eta vs tors. theta energy: -66.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -753.121124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.121124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.121124 (E_RNA) where: Base-Base interactions energy: -475.142 where: short stacking energy: -218.560 Base-Backbone interact. energy: -0.224 local terms energy: -277.756015 where: bonds (distance) C4'-P energy: -60.433 bonds (distance) P-C4' energy: -64.527 flat angles C4'-P-C4' energy: -62.135 flat angles P-C4'-P energy: -41.893 tors. eta vs tors. theta energy: -48.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -507.124146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.124146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.124146 (E_RNA) where: Base-Base interactions energy: -273.975 where: short stacking energy: -141.455 Base-Backbone interact. energy: -1.252 local terms energy: -231.897216 where: bonds (distance) C4'-P energy: -56.144 bonds (distance) P-C4' energy: -62.221 flat angles C4'-P-C4' energy: -55.548 flat angles P-C4'-P energy: -30.776 tors. eta vs tors. theta energy: -27.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -441.812753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.812753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.812753 (E_RNA) where: Base-Base interactions energy: -245.976 where: short stacking energy: -136.724 Base-Backbone interact. energy: -1.249 local terms energy: -194.587828 where: bonds (distance) C4'-P energy: -58.380 bonds (distance) P-C4' energy: -46.629 flat angles C4'-P-C4' energy: -51.548 flat angles P-C4'-P energy: -25.252 tors. eta vs tors. theta energy: -12.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -274.443961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.443961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.443961 (E_RNA) where: Base-Base interactions energy: -102.132 where: short stacking energy: -89.359 Base-Backbone interact. energy: 1.410 local terms energy: -173.722148 where: bonds (distance) C4'-P energy: -40.471 bonds (distance) P-C4' energy: -62.729 flat angles C4'-P-C4' energy: -45.544 flat angles P-C4'-P energy: -24.274 tors. eta vs tors. theta energy: -0.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1162.587501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.587501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.587501 (E_RNA) where: Base-Base interactions energy: -811.913 where: short stacking energy: -312.469 Base-Backbone interact. energy: -0.715 local terms energy: -349.959644 where: bonds (distance) C4'-P energy: -66.548 bonds (distance) P-C4' energy: -70.982 flat angles C4'-P-C4' energy: -75.782 flat angles P-C4'-P energy: -50.237 tors. eta vs tors. theta energy: -86.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1103.684340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.684340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.684340 (E_RNA) where: Base-Base interactions energy: -758.618 where: short stacking energy: -321.031 Base-Backbone interact. energy: -0.406 local terms energy: -344.660560 where: bonds (distance) C4'-P energy: -59.274 bonds (distance) P-C4' energy: -69.910 flat angles C4'-P-C4' energy: -72.669 flat angles P-C4'-P energy: -49.138 tors. eta vs tors. theta energy: -93.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1051.549405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.549405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.549405 (E_RNA) where: Base-Base interactions energy: -724.439 where: short stacking energy: -287.545 Base-Backbone interact. energy: -1.310 local terms energy: -325.800293 where: bonds (distance) C4'-P energy: -61.112 bonds (distance) P-C4' energy: -57.585 flat angles C4'-P-C4' energy: -77.573 flat angles P-C4'-P energy: -45.647 tors. eta vs tors. theta energy: -83.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -984.034853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.034853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.034853 (E_RNA) where: Base-Base interactions energy: -658.973 where: short stacking energy: -294.159 Base-Backbone interact. energy: -0.301 local terms energy: -324.761215 where: bonds (distance) C4'-P energy: -59.472 bonds (distance) P-C4' energy: -62.475 flat angles C4'-P-C4' energy: -69.997 flat angles P-C4'-P energy: -42.159 tors. eta vs tors. theta energy: -90.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -902.043613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.043613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.043613 (E_RNA) where: Base-Base interactions energy: -603.398 where: short stacking energy: -256.529 Base-Backbone interact. energy: -0.187 local terms energy: -298.458948 where: bonds (distance) C4'-P energy: -50.766 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -68.623 flat angles P-C4'-P energy: -42.718 tors. eta vs tors. theta energy: -67.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -812.912407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.912407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.912407 (E_RNA) where: Base-Base interactions energy: -549.549 where: short stacking energy: -259.350 Base-Backbone interact. energy: -0.105 local terms energy: -263.258867 where: bonds (distance) C4'-P energy: -60.423 bonds (distance) P-C4' energy: -36.301 flat angles C4'-P-C4' energy: -62.432 flat angles P-C4'-P energy: -33.636 tors. eta vs tors. theta energy: -70.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -771.820142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.820142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.820142 (E_RNA) where: Base-Base interactions energy: -507.422 where: short stacking energy: -227.721 Base-Backbone interact. energy: -0.607 local terms energy: -263.791756 where: bonds (distance) C4'-P energy: -51.152 bonds (distance) P-C4' energy: -55.564 flat angles C4'-P-C4' energy: -60.332 flat angles P-C4'-P energy: -34.041 tors. eta vs tors. theta energy: -62.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -499.908685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.908685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.908685 (E_RNA) where: Base-Base interactions energy: -282.407 where: short stacking energy: -130.313 Base-Backbone interact. energy: -0.242 local terms energy: -217.258807 where: bonds (distance) C4'-P energy: -48.270 bonds (distance) P-C4' energy: -59.093 flat angles C4'-P-C4' energy: -56.337 flat angles P-C4'-P energy: -34.163 tors. eta vs tors. theta energy: -19.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -447.229861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.229861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.229861 (E_RNA) where: Base-Base interactions energy: -241.366 where: short stacking energy: -133.366 Base-Backbone interact. energy: 0.504 local terms energy: -206.368529 where: bonds (distance) C4'-P energy: -45.909 bonds (distance) P-C4' energy: -57.613 flat angles C4'-P-C4' energy: -49.030 flat angles P-C4'-P energy: -34.218 tors. eta vs tors. theta energy: -19.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -266.532933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.532933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.532933 (E_RNA) where: Base-Base interactions energy: -89.533 where: short stacking energy: -72.431 Base-Backbone interact. energy: 1.720 local terms energy: -178.719422 where: bonds (distance) C4'-P energy: -56.584 bonds (distance) P-C4' energy: -62.304 flat angles C4'-P-C4' energy: -42.541 flat angles P-C4'-P energy: -33.288 tors. eta vs tors. theta energy: 15.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1160.392951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.392951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.392951 (E_RNA) where: Base-Base interactions energy: -829.592 where: short stacking energy: -324.382 Base-Backbone interact. energy: 0.857 local terms energy: -331.657829 where: bonds (distance) C4'-P energy: -66.996 bonds (distance) P-C4' energy: -59.776 flat angles C4'-P-C4' energy: -71.917 flat angles P-C4'-P energy: -41.205 tors. eta vs tors. theta energy: -91.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1104.756906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.756906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.756906 (E_RNA) where: Base-Base interactions energy: -764.064 where: short stacking energy: -306.835 Base-Backbone interact. energy: -2.703 local terms energy: -337.989424 where: bonds (distance) C4'-P energy: -68.396 bonds (distance) P-C4' energy: -69.465 flat angles C4'-P-C4' energy: -69.824 flat angles P-C4'-P energy: -46.757 tors. eta vs tors. theta energy: -83.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1045.830691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.830691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.830691 (E_RNA) where: Base-Base interactions energy: -742.441 where: short stacking energy: -302.115 Base-Backbone interact. energy: 2.011 local terms energy: -305.400883 where: bonds (distance) C4'-P energy: -57.708 bonds (distance) P-C4' energy: -55.374 flat angles C4'-P-C4' energy: -67.938 flat angles P-C4'-P energy: -38.319 tors. eta vs tors. theta energy: -86.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -979.017646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.017646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.017646 (E_RNA) where: Base-Base interactions energy: -672.863 where: short stacking energy: -297.525 Base-Backbone interact. energy: 0.388 local terms energy: -306.541737 where: bonds (distance) C4'-P energy: -59.044 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -62.005 flat angles P-C4'-P energy: -34.160 tors. eta vs tors. theta energy: -90.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -918.951129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.951129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.951129 (E_RNA) where: Base-Base interactions energy: -627.435 where: short stacking energy: -279.015 Base-Backbone interact. energy: -0.829 local terms energy: -290.686968 where: bonds (distance) C4'-P energy: -65.224 bonds (distance) P-C4' energy: -55.573 flat angles C4'-P-C4' energy: -52.569 flat angles P-C4'-P energy: -38.926 tors. eta vs tors. theta energy: -78.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -796.311082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.311082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.311082 (E_RNA) where: Base-Base interactions energy: -534.526 where: short stacking energy: -255.453 Base-Backbone interact. energy: -1.294 local terms energy: -260.490715 where: bonds (distance) C4'-P energy: -42.227 bonds (distance) P-C4' energy: -56.256 flat angles C4'-P-C4' energy: -56.145 flat angles P-C4'-P energy: -38.708 tors. eta vs tors. theta energy: -67.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -698.699345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.699345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.699345 (E_RNA) where: Base-Base interactions energy: -441.247 where: short stacking energy: -197.916 Base-Backbone interact. energy: -0.670 local terms energy: -256.783059 where: bonds (distance) C4'-P energy: -56.554 bonds (distance) P-C4' energy: -64.338 flat angles C4'-P-C4' energy: -51.956 flat angles P-C4'-P energy: -40.101 tors. eta vs tors. theta energy: -43.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -503.051763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.051763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.051763 (E_RNA) where: Base-Base interactions energy: -287.131 where: short stacking energy: -132.799 Base-Backbone interact. energy: -1.201 local terms energy: -214.719696 where: bonds (distance) C4'-P energy: -52.865 bonds (distance) P-C4' energy: -62.357 flat angles C4'-P-C4' energy: -46.125 flat angles P-C4'-P energy: -38.818 tors. eta vs tors. theta energy: -14.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -428.477836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.477836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.477836 (E_RNA) where: Base-Base interactions energy: -228.550 where: short stacking energy: -127.380 Base-Backbone interact. energy: 0.151 local terms energy: -200.079219 where: bonds (distance) C4'-P energy: -54.647 bonds (distance) P-C4' energy: -46.817 flat angles C4'-P-C4' energy: -48.225 flat angles P-C4'-P energy: -32.937 tors. eta vs tors. theta energy: -17.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -281.090820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.090820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.090820 (E_RNA) where: Base-Base interactions energy: -103.117 where: short stacking energy: -73.467 Base-Backbone interact. energy: -1.689 local terms energy: -176.284513 where: bonds (distance) C4'-P energy: -62.732 bonds (distance) P-C4' energy: -55.656 flat angles C4'-P-C4' energy: -48.539 flat angles P-C4'-P energy: -24.814 tors. eta vs tors. theta energy: 15.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1159.452709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.452709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.452709 (E_RNA) where: Base-Base interactions energy: -813.692 where: short stacking energy: -309.682 Base-Backbone interact. energy: -2.522 local terms energy: -343.238370 where: bonds (distance) C4'-P energy: -66.104 bonds (distance) P-C4' energy: -67.362 flat angles C4'-P-C4' energy: -72.955 flat angles P-C4'-P energy: -47.469 tors. eta vs tors. theta energy: -89.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1114.137459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.137459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.137459 (E_RNA) where: Base-Base interactions energy: -772.486 where: short stacking energy: -308.866 Base-Backbone interact. energy: -3.123 local terms energy: -338.528248 where: bonds (distance) C4'-P energy: -64.182 bonds (distance) P-C4' energy: -69.314 flat angles C4'-P-C4' energy: -71.252 flat angles P-C4'-P energy: -41.289 tors. eta vs tors. theta energy: -92.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1055.902422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.902422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.902422 (E_RNA) where: Base-Base interactions energy: -730.589 where: short stacking energy: -286.746 Base-Backbone interact. energy: -2.101 local terms energy: -323.212251 where: bonds (distance) C4'-P energy: -64.465 bonds (distance) P-C4' energy: -63.917 flat angles C4'-P-C4' energy: -66.570 flat angles P-C4'-P energy: -45.248 tors. eta vs tors. theta energy: -83.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -960.350482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.350482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.350482 (E_RNA) where: Base-Base interactions energy: -642.889 where: short stacking energy: -294.404 Base-Backbone interact. energy: -0.498 local terms energy: -316.963905 where: bonds (distance) C4'-P energy: -60.352 bonds (distance) P-C4' energy: -56.273 flat angles C4'-P-C4' energy: -63.868 flat angles P-C4'-P energy: -47.080 tors. eta vs tors. theta energy: -89.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -908.532949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.532949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.532949 (E_RNA) where: Base-Base interactions energy: -622.151 where: short stacking energy: -262.032 Base-Backbone interact. energy: -1.249 local terms energy: -285.133058 where: bonds (distance) C4'-P energy: -50.047 bonds (distance) P-C4' energy: -60.231 flat angles C4'-P-C4' energy: -67.138 flat angles P-C4'-P energy: -29.880 tors. eta vs tors. theta energy: -77.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -808.688719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.688719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.688719 (E_RNA) where: Base-Base interactions energy: -522.442 where: short stacking energy: -257.441 Base-Backbone interact. energy: -1.414 local terms energy: -284.833603 where: bonds (distance) C4'-P energy: -53.887 bonds (distance) P-C4' energy: -61.246 flat angles C4'-P-C4' energy: -64.993 flat angles P-C4'-P energy: -36.947 tors. eta vs tors. theta energy: -67.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -683.166339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.166339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.166339 (E_RNA) where: Base-Base interactions energy: -432.034 where: short stacking energy: -222.451 Base-Backbone interact. energy: -1.436 local terms energy: -249.696405 where: bonds (distance) C4'-P energy: -44.063 bonds (distance) P-C4' energy: -62.683 flat angles C4'-P-C4' energy: -57.785 flat angles P-C4'-P energy: -24.968 tors. eta vs tors. theta energy: -60.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -514.709253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.709253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.709253 (E_RNA) where: Base-Base interactions energy: -297.181 where: short stacking energy: -148.571 Base-Backbone interact. energy: 2.388 local terms energy: -219.916370 where: bonds (distance) C4'-P energy: -56.240 bonds (distance) P-C4' energy: -56.361 flat angles C4'-P-C4' energy: -45.103 flat angles P-C4'-P energy: -34.242 tors. eta vs tors. theta energy: -27.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -462.006707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.006707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.006707 (E_RNA) where: Base-Base interactions energy: -264.520 where: short stacking energy: -127.413 Base-Backbone interact. energy: -0.987 local terms energy: -196.499570 where: bonds (distance) C4'-P energy: -45.386 bonds (distance) P-C4' energy: -56.482 flat angles C4'-P-C4' energy: -57.936 flat angles P-C4'-P energy: -23.985 tors. eta vs tors. theta energy: -12.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -257.366098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.366098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.366098 (E_RNA) where: Base-Base interactions energy: -89.750 where: short stacking energy: -79.831 Base-Backbone interact. energy: 1.355 local terms energy: -168.971507 where: bonds (distance) C4'-P energy: -59.078 bonds (distance) P-C4' energy: -53.630 flat angles C4'-P-C4' energy: -44.942 flat angles P-C4'-P energy: -21.284 tors. eta vs tors. theta energy: 9.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1154.366247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.366247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.366247 (E_RNA) where: Base-Base interactions energy: -807.059 where: short stacking energy: -316.312 Base-Backbone interact. energy: -3.139 local terms energy: -344.168777 where: bonds (distance) C4'-P energy: -69.534 bonds (distance) P-C4' energy: -54.804 flat angles C4'-P-C4' energy: -75.792 flat angles P-C4'-P energy: -54.385 tors. eta vs tors. theta energy: -89.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1102.112219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.112219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.112219 (E_RNA) where: Base-Base interactions energy: -769.818 where: short stacking energy: -309.058 Base-Backbone interact. energy: 1.142 local terms energy: -333.436248 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -72.059 flat angles C4'-P-C4' energy: -67.732 flat angles P-C4'-P energy: -50.214 tors. eta vs tors. theta energy: -84.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1066.754451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.754451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.754451 (E_RNA) where: Base-Base interactions energy: -760.041 where: short stacking energy: -315.592 Base-Backbone interact. energy: 1.194 local terms energy: -307.906838 where: bonds (distance) C4'-P energy: -54.511 bonds (distance) P-C4' energy: -56.776 flat angles C4'-P-C4' energy: -63.245 flat angles P-C4'-P energy: -45.752 tors. eta vs tors. theta energy: -87.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -964.560557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.560557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.560557 (E_RNA) where: Base-Base interactions energy: -650.304 where: short stacking energy: -292.276 Base-Backbone interact. energy: -1.072 local terms energy: -313.184897 where: bonds (distance) C4'-P energy: -56.200 bonds (distance) P-C4' energy: -51.109 flat angles C4'-P-C4' energy: -64.701 flat angles P-C4'-P energy: -49.280 tors. eta vs tors. theta energy: -91.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -930.440253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.440253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.440253 (E_RNA) where: Base-Base interactions energy: -636.102 where: short stacking energy: -274.032 Base-Backbone interact. energy: 0.359 local terms energy: -294.697847 where: bonds (distance) C4'-P energy: -55.279 bonds (distance) P-C4' energy: -58.186 flat angles C4'-P-C4' energy: -61.990 flat angles P-C4'-P energy: -35.839 tors. eta vs tors. theta energy: -83.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -822.178975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.178975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.178975 (E_RNA) where: Base-Base interactions energy: -546.606 where: short stacking energy: -257.779 Base-Backbone interact. energy: -0.548 local terms energy: -275.024536 where: bonds (distance) C4'-P energy: -59.302 bonds (distance) P-C4' energy: -54.595 flat angles C4'-P-C4' energy: -62.573 flat angles P-C4'-P energy: -29.982 tors. eta vs tors. theta energy: -68.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -692.274719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.274719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.274719 (E_RNA) where: Base-Base interactions energy: -429.989 where: short stacking energy: -201.355 Base-Backbone interact. energy: -2.622 local terms energy: -259.664099 where: bonds (distance) C4'-P energy: -59.417 bonds (distance) P-C4' energy: -51.815 flat angles C4'-P-C4' energy: -58.935 flat angles P-C4'-P energy: -38.100 tors. eta vs tors. theta energy: -51.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -472.558645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.558645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.558645 (E_RNA) where: Base-Base interactions energy: -258.038 where: short stacking energy: -145.648 Base-Backbone interact. energy: -0.719 local terms energy: -213.801375 where: bonds (distance) C4'-P energy: -43.531 bonds (distance) P-C4' energy: -60.219 flat angles C4'-P-C4' energy: -54.165 flat angles P-C4'-P energy: -32.840 tors. eta vs tors. theta energy: -23.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -481.921627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.921627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.921627 (E_RNA) where: Base-Base interactions energy: -277.147 where: short stacking energy: -123.208 Base-Backbone interact. energy: -1.052 local terms energy: -203.722398 where: bonds (distance) C4'-P energy: -49.771 bonds (distance) P-C4' energy: -53.150 flat angles C4'-P-C4' energy: -41.722 flat angles P-C4'-P energy: -36.149 tors. eta vs tors. theta energy: -22.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -298.527991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.527991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.527991 (E_RNA) where: Base-Base interactions energy: -114.636 where: short stacking energy: -91.098 Base-Backbone interact. energy: -2.069 local terms energy: -181.822163 where: bonds (distance) C4'-P energy: -51.778 bonds (distance) P-C4' energy: -65.606 flat angles C4'-P-C4' energy: -49.516 flat angles P-C4'-P energy: -19.783 tors. eta vs tors. theta energy: 4.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1134.736181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.736181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.736181 (E_RNA) where: Base-Base interactions energy: -798.546 where: short stacking energy: -324.220 Base-Backbone interact. energy: -2.158 local terms energy: -334.031612 where: bonds (distance) C4'-P energy: -58.471 bonds (distance) P-C4' energy: -66.969 flat angles C4'-P-C4' energy: -64.079 flat angles P-C4'-P energy: -48.839 tors. eta vs tors. theta energy: -95.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1125.283801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.283801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.283801 (E_RNA) where: Base-Base interactions energy: -807.345 where: short stacking energy: -294.068 Base-Backbone interact. energy: -1.985 local terms energy: -315.953759 where: bonds (distance) C4'-P energy: -50.951 bonds (distance) P-C4' energy: -70.583 flat angles C4'-P-C4' energy: -62.045 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -82.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1065.535896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.535896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.535896 (E_RNA) where: Base-Base interactions energy: -743.566 where: short stacking energy: -292.958 Base-Backbone interact. energy: -0.845 local terms energy: -321.124351 where: bonds (distance) C4'-P energy: -66.551 bonds (distance) P-C4' energy: -57.880 flat angles C4'-P-C4' energy: -65.494 flat angles P-C4'-P energy: -44.959 tors. eta vs tors. theta energy: -86.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -930.761610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.761610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.761610 (E_RNA) where: Base-Base interactions energy: -625.188 where: short stacking energy: -278.974 Base-Backbone interact. energy: -1.389 local terms energy: -304.184011 where: bonds (distance) C4'-P energy: -58.701 bonds (distance) P-C4' energy: -61.711 flat angles C4'-P-C4' energy: -62.780 flat angles P-C4'-P energy: -39.523 tors. eta vs tors. theta energy: -81.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -912.043826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.043826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.043826 (E_RNA) where: Base-Base interactions energy: -640.166 where: short stacking energy: -266.467 Base-Backbone interact. energy: -1.391 local terms energy: -270.487460 where: bonds (distance) C4'-P energy: -54.255 bonds (distance) P-C4' energy: -46.794 flat angles C4'-P-C4' energy: -60.272 flat angles P-C4'-P energy: -35.360 tors. eta vs tors. theta energy: -73.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -857.640077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.640077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.640077 (E_RNA) where: Base-Base interactions energy: -565.499 where: short stacking energy: -282.587 Base-Backbone interact. energy: -0.303 local terms energy: -291.837828 where: bonds (distance) C4'-P energy: -53.538 bonds (distance) P-C4' energy: -61.425 flat angles C4'-P-C4' energy: -53.026 flat angles P-C4'-P energy: -42.035 tors. eta vs tors. theta energy: -81.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -691.731534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.731534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.731534 (E_RNA) where: Base-Base interactions energy: -419.768 where: short stacking energy: -211.734 Base-Backbone interact. energy: -2.391 local terms energy: -269.572715 where: bonds (distance) C4'-P energy: -54.693 bonds (distance) P-C4' energy: -61.748 flat angles C4'-P-C4' energy: -58.407 flat angles P-C4'-P energy: -40.004 tors. eta vs tors. theta energy: -54.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -482.398873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.398873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.398873 (E_RNA) where: Base-Base interactions energy: -262.182 where: short stacking energy: -152.023 Base-Backbone interact. energy: 0.889 local terms energy: -221.106162 where: bonds (distance) C4'-P energy: -53.591 bonds (distance) P-C4' energy: -53.292 flat angles C4'-P-C4' energy: -55.067 flat angles P-C4'-P energy: -41.191 tors. eta vs tors. theta energy: -17.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -462.344478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.344478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.344478 (E_RNA) where: Base-Base interactions energy: -257.044 where: short stacking energy: -121.499 Base-Backbone interact. energy: -1.859 local terms energy: -203.442029 where: bonds (distance) C4'-P energy: -61.457 bonds (distance) P-C4' energy: -42.558 flat angles C4'-P-C4' energy: -45.676 flat angles P-C4'-P energy: -37.656 tors. eta vs tors. theta energy: -16.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -264.742666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.742666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.742666 (E_RNA) where: Base-Base interactions energy: -89.595 where: short stacking energy: -86.146 Base-Backbone interact. energy: 2.368 local terms energy: -177.515038 where: bonds (distance) C4'-P energy: -52.642 bonds (distance) P-C4' energy: -66.947 flat angles C4'-P-C4' energy: -39.406 flat angles P-C4'-P energy: -17.630 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1114.689476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.689476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.689476 (E_RNA) where: Base-Base interactions energy: -764.807 where: short stacking energy: -334.089 Base-Backbone interact. energy: 1.411 local terms energy: -351.293097 where: bonds (distance) C4'-P energy: -69.318 bonds (distance) P-C4' energy: -67.808 flat angles C4'-P-C4' energy: -72.698 flat angles P-C4'-P energy: -55.394 tors. eta vs tors. theta energy: -86.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1127.451011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.451011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.451011 (E_RNA) where: Base-Base interactions energy: -802.987 where: short stacking energy: -304.901 Base-Backbone interact. energy: 1.689 local terms energy: -326.152896 where: bonds (distance) C4'-P energy: -63.861 bonds (distance) P-C4' energy: -66.913 flat angles C4'-P-C4' energy: -70.524 flat angles P-C4'-P energy: -41.717 tors. eta vs tors. theta energy: -83.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1081.813501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.813501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.813501 (E_RNA) where: Base-Base interactions energy: -758.749 where: short stacking energy: -301.544 Base-Backbone interact. energy: -2.951 local terms energy: -320.112887 where: bonds (distance) C4'-P energy: -60.109 bonds (distance) P-C4' energy: -62.306 flat angles C4'-P-C4' energy: -70.666 flat angles P-C4'-P energy: -41.228 tors. eta vs tors. theta energy: -85.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1005.270640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.270640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.270640 (E_RNA) where: Base-Base interactions energy: -683.936 where: short stacking energy: -308.522 Base-Backbone interact. energy: -0.406 local terms energy: -320.929127 where: bonds (distance) C4'-P energy: -52.478 bonds (distance) P-C4' energy: -62.230 flat angles C4'-P-C4' energy: -70.578 flat angles P-C4'-P energy: -44.610 tors. eta vs tors. theta energy: -91.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -932.080825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.080825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.080825 (E_RNA) where: Base-Base interactions energy: -625.006 where: short stacking energy: -260.522 Base-Backbone interact. energy: -0.835 local terms energy: -306.239695 where: bonds (distance) C4'-P energy: -57.920 bonds (distance) P-C4' energy: -59.872 flat angles C4'-P-C4' energy: -66.300 flat angles P-C4'-P energy: -42.204 tors. eta vs tors. theta energy: -79.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -816.397378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.397378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.397378 (E_RNA) where: Base-Base interactions energy: -527.220 where: short stacking energy: -236.682 Base-Backbone interact. energy: 0.605 local terms energy: -289.782110 where: bonds (distance) C4'-P energy: -59.333 bonds (distance) P-C4' energy: -56.819 flat angles C4'-P-C4' energy: -68.314 flat angles P-C4'-P energy: -42.442 tors. eta vs tors. theta energy: -62.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -669.127029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.127029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.127029 (E_RNA) where: Base-Base interactions energy: -413.440 where: short stacking energy: -183.216 Base-Backbone interact. energy: -0.059 local terms energy: -255.628083 where: bonds (distance) C4'-P energy: -52.954 bonds (distance) P-C4' energy: -64.611 flat angles C4'-P-C4' energy: -55.644 flat angles P-C4'-P energy: -39.972 tors. eta vs tors. theta energy: -42.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -472.357749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.357749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.357749 (E_RNA) where: Base-Base interactions energy: -263.062 where: short stacking energy: -153.357 Base-Backbone interact. energy: -0.851 local terms energy: -208.445092 where: bonds (distance) C4'-P energy: -45.338 bonds (distance) P-C4' energy: -47.300 flat angles C4'-P-C4' energy: -51.521 flat angles P-C4'-P energy: -41.919 tors. eta vs tors. theta energy: -22.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -463.293059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.293059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.293059 (E_RNA) where: Base-Base interactions energy: -257.284 where: short stacking energy: -134.431 Base-Backbone interact. energy: 0.020 local terms energy: -206.029471 where: bonds (distance) C4'-P energy: -58.408 bonds (distance) P-C4' energy: -53.772 flat angles C4'-P-C4' energy: -52.207 flat angles P-C4'-P energy: -25.834 tors. eta vs tors. theta energy: -15.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -277.785963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.785963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.785963 (E_RNA) where: Base-Base interactions energy: -106.395 where: short stacking energy: -98.893 Base-Backbone interact. energy: 3.506 local terms energy: -174.897438 where: bonds (distance) C4'-P energy: -58.226 bonds (distance) P-C4' energy: -55.025 flat angles C4'-P-C4' energy: -42.362 flat angles P-C4'-P energy: -22.864 tors. eta vs tors. theta energy: 3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1146.595543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.595543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.595543 (E_RNA) where: Base-Base interactions energy: -802.655 where: short stacking energy: -324.889 Base-Backbone interact. energy: -2.395 local terms energy: -341.545875 where: bonds (distance) C4'-P energy: -62.393 bonds (distance) P-C4' energy: -70.400 flat angles C4'-P-C4' energy: -71.836 flat angles P-C4'-P energy: -46.506 tors. eta vs tors. theta energy: -90.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1144.429099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.429099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.429099 (E_RNA) where: Base-Base interactions energy: -797.003 where: short stacking energy: -301.867 Base-Backbone interact. energy: -1.710 local terms energy: -345.716245 where: bonds (distance) C4'-P energy: -64.203 bonds (distance) P-C4' energy: -64.262 flat angles C4'-P-C4' energy: -72.402 flat angles P-C4'-P energy: -51.195 tors. eta vs tors. theta energy: -93.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1060.673801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.673801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.673801 (E_RNA) where: Base-Base interactions energy: -737.697 where: short stacking energy: -309.191 Base-Backbone interact. energy: 1.318 local terms energy: -324.295178 where: bonds (distance) C4'-P energy: -65.730 bonds (distance) P-C4' energy: -60.782 flat angles C4'-P-C4' energy: -61.312 flat angles P-C4'-P energy: -51.271 tors. eta vs tors. theta energy: -85.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1028.972652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.972652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.972652 (E_RNA) where: Base-Base interactions energy: -702.043 where: short stacking energy: -311.334 Base-Backbone interact. energy: -0.693 local terms energy: -326.236354 where: bonds (distance) C4'-P energy: -62.848 bonds (distance) P-C4' energy: -54.399 flat angles C4'-P-C4' energy: -71.155 flat angles P-C4'-P energy: -45.556 tors. eta vs tors. theta energy: -92.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -923.942091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.942091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.942091 (E_RNA) where: Base-Base interactions energy: -615.644 where: short stacking energy: -271.927 Base-Backbone interact. energy: -0.232 local terms energy: -308.066121 where: bonds (distance) C4'-P energy: -48.820 bonds (distance) P-C4' energy: -69.310 flat angles C4'-P-C4' energy: -58.911 flat angles P-C4'-P energy: -44.749 tors. eta vs tors. theta energy: -86.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -847.523987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.523987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.523987 (E_RNA) where: Base-Base interactions energy: -557.021 where: short stacking energy: -270.909 Base-Backbone interact. energy: -1.225 local terms energy: -289.277929 where: bonds (distance) C4'-P energy: -48.422 bonds (distance) P-C4' energy: -67.873 flat angles C4'-P-C4' energy: -58.817 flat angles P-C4'-P energy: -40.642 tors. eta vs tors. theta energy: -73.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -653.433183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.433183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.433183 (E_RNA) where: Base-Base interactions energy: -401.234 where: short stacking energy: -198.458 Base-Backbone interact. energy: -1.435 local terms energy: -250.764137 where: bonds (distance) C4'-P energy: -50.633 bonds (distance) P-C4' energy: -58.054 flat angles C4'-P-C4' energy: -64.365 flat angles P-C4'-P energy: -34.884 tors. eta vs tors. theta energy: -42.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -494.486645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.486645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.486645 (E_RNA) where: Base-Base interactions energy: -257.508 where: short stacking energy: -151.464 Base-Backbone interact. energy: -0.054 local terms energy: -236.924540 where: bonds (distance) C4'-P energy: -57.604 bonds (distance) P-C4' energy: -65.396 flat angles C4'-P-C4' energy: -57.435 flat angles P-C4'-P energy: -33.299 tors. eta vs tors. theta energy: -23.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -431.282113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.282113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.282113 (E_RNA) where: Base-Base interactions energy: -218.982 where: short stacking energy: -114.067 Base-Backbone interact. energy: -2.296 local terms energy: -210.004624 where: bonds (distance) C4'-P energy: -61.105 bonds (distance) P-C4' energy: -56.898 flat angles C4'-P-C4' energy: -57.190 flat angles P-C4'-P energy: -29.498 tors. eta vs tors. theta energy: -5.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -269.685194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.685194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.685194 (E_RNA) where: Base-Base interactions energy: -96.747 where: short stacking energy: -85.195 Base-Backbone interact. energy: 2.829 local terms energy: -175.767689 where: bonds (distance) C4'-P energy: -48.637 bonds (distance) P-C4' energy: -53.782 flat angles C4'-P-C4' energy: -50.202 flat angles P-C4'-P energy: -35.065 tors. eta vs tors. theta energy: 11.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1135.325975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.325975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.325975 (E_RNA) where: Base-Base interactions energy: -792.085 where: short stacking energy: -326.849 Base-Backbone interact. energy: -1.791 local terms energy: -341.450227 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -68.781 flat angles C4'-P-C4' energy: -76.110 flat angles P-C4'-P energy: -40.084 tors. eta vs tors. theta energy: -92.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1149.529951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.529951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.529951 (E_RNA) where: Base-Base interactions energy: -816.187 where: short stacking energy: -314.767 Base-Backbone interact. energy: 2.300 local terms energy: -335.643465 where: bonds (distance) C4'-P energy: -68.492 bonds (distance) P-C4' energy: -62.257 flat angles C4'-P-C4' energy: -68.615 flat angles P-C4'-P energy: -48.994 tors. eta vs tors. theta energy: -87.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1067.778287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.778287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.778287 (E_RNA) where: Base-Base interactions energy: -738.562 where: short stacking energy: -288.244 Base-Backbone interact. energy: -1.288 local terms energy: -327.928450 where: bonds (distance) C4'-P energy: -63.404 bonds (distance) P-C4' energy: -62.200 flat angles C4'-P-C4' energy: -69.345 flat angles P-C4'-P energy: -45.986 tors. eta vs tors. theta energy: -86.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1027.018126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.018126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.018126 (E_RNA) where: Base-Base interactions energy: -709.475 where: short stacking energy: -294.671 Base-Backbone interact. energy: -1.229 local terms energy: -316.314086 where: bonds (distance) C4'-P energy: -48.415 bonds (distance) P-C4' energy: -63.701 flat angles C4'-P-C4' energy: -65.151 flat angles P-C4'-P energy: -40.637 tors. eta vs tors. theta energy: -98.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -909.154608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.154608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.154608 (E_RNA) where: Base-Base interactions energy: -625.287 where: short stacking energy: -246.983 Base-Backbone interact. energy: -2.090 local terms energy: -281.776806 where: bonds (distance) C4'-P energy: -47.044 bonds (distance) P-C4' energy: -59.839 flat angles C4'-P-C4' energy: -64.973 flat angles P-C4'-P energy: -37.761 tors. eta vs tors. theta energy: -72.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -842.965094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.965094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.965094 (E_RNA) where: Base-Base interactions energy: -542.035 where: short stacking energy: -235.618 Base-Backbone interact. energy: -0.691 local terms energy: -300.238959 where: bonds (distance) C4'-P energy: -66.275 bonds (distance) P-C4' energy: -64.533 flat angles C4'-P-C4' energy: -54.369 flat angles P-C4'-P energy: -45.783 tors. eta vs tors. theta energy: -69.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -633.852574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.852574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.852574 (E_RNA) where: Base-Base interactions energy: -387.398 where: short stacking energy: -190.158 Base-Backbone interact. energy: -0.944 local terms energy: -245.510991 where: bonds (distance) C4'-P energy: -56.703 bonds (distance) P-C4' energy: -60.694 flat angles C4'-P-C4' energy: -55.501 flat angles P-C4'-P energy: -37.245 tors. eta vs tors. theta energy: -35.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -516.400472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.400472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.400472 (E_RNA) where: Base-Base interactions energy: -298.670 where: short stacking energy: -172.589 Base-Backbone interact. energy: -1.856 local terms energy: -215.875081 where: bonds (distance) C4'-P energy: -51.361 bonds (distance) P-C4' energy: -43.490 flat angles C4'-P-C4' energy: -49.266 flat angles P-C4'-P energy: -33.487 tors. eta vs tors. theta energy: -38.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -418.422117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.422117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.422117 (E_RNA) where: Base-Base interactions energy: -224.815 where: short stacking energy: -141.520 Base-Backbone interact. energy: -0.800 local terms energy: -192.806876 where: bonds (distance) C4'-P energy: -36.932 bonds (distance) P-C4' energy: -55.792 flat angles C4'-P-C4' energy: -55.709 flat angles P-C4'-P energy: -22.605 tors. eta vs tors. theta energy: -21.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -271.450308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.450308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.450308 (E_RNA) where: Base-Base interactions energy: -96.754 where: short stacking energy: -92.142 Base-Backbone interact. energy: 0.876 local terms energy: -175.572082 where: bonds (distance) C4'-P energy: -53.336 bonds (distance) P-C4' energy: -46.731 flat angles C4'-P-C4' energy: -56.024 flat angles P-C4'-P energy: -24.748 tors. eta vs tors. theta energy: 5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1161.169420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.169420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.169420 (E_RNA) where: Base-Base interactions energy: -831.601 where: short stacking energy: -323.270 Base-Backbone interact. energy: 6.679 local terms energy: -336.248302 where: bonds (distance) C4'-P energy: -66.644 bonds (distance) P-C4' energy: -57.480 flat angles C4'-P-C4' energy: -73.398 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -91.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1097.234008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.234008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.234008 (E_RNA) where: Base-Base interactions energy: -780.722 where: short stacking energy: -328.262 Base-Backbone interact. energy: -1.531 local terms energy: -314.981327 where: bonds (distance) C4'-P energy: -52.679 bonds (distance) P-C4' energy: -61.369 flat angles C4'-P-C4' energy: -68.452 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: -87.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1072.502985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.502985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.502985 (E_RNA) where: Base-Base interactions energy: -738.000 where: short stacking energy: -306.050 Base-Backbone interact. energy: -2.183 local terms energy: -332.319877 where: bonds (distance) C4'-P energy: -57.175 bonds (distance) P-C4' energy: -65.837 flat angles C4'-P-C4' energy: -70.190 flat angles P-C4'-P energy: -47.602 tors. eta vs tors. theta energy: -91.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1019.588816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.588816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.588816 (E_RNA) where: Base-Base interactions energy: -697.173 where: short stacking energy: -282.155 Base-Backbone interact. energy: -1.884 local terms energy: -320.532251 where: bonds (distance) C4'-P energy: -64.316 bonds (distance) P-C4' energy: -56.732 flat angles C4'-P-C4' energy: -68.581 flat angles P-C4'-P energy: -36.977 tors. eta vs tors. theta energy: -93.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -919.039845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.039845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.039845 (E_RNA) where: Base-Base interactions energy: -630.077 where: short stacking energy: -268.814 Base-Backbone interact. energy: 0.616 local terms energy: -289.578353 where: bonds (distance) C4'-P energy: -61.457 bonds (distance) P-C4' energy: -51.867 flat angles C4'-P-C4' energy: -59.290 flat angles P-C4'-P energy: -41.141 tors. eta vs tors. theta energy: -75.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -816.275886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.275886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.275886 (E_RNA) where: Base-Base interactions energy: -530.382 where: short stacking energy: -255.645 Base-Backbone interact. energy: -0.665 local terms energy: -285.229025 where: bonds (distance) C4'-P energy: -56.288 bonds (distance) P-C4' energy: -48.486 flat angles C4'-P-C4' energy: -69.624 flat angles P-C4'-P energy: -50.569 tors. eta vs tors. theta energy: -60.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -651.630822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.630822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.630822 (E_RNA) where: Base-Base interactions energy: -409.555 where: short stacking energy: -203.108 Base-Backbone interact. energy: -0.401 local terms energy: -241.674724 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -54.898 flat angles C4'-P-C4' energy: -60.498 flat angles P-C4'-P energy: -28.301 tors. eta vs tors. theta energy: -40.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -500.335403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.335403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.335403 (E_RNA) where: Base-Base interactions energy: -297.784 where: short stacking energy: -149.641 Base-Backbone interact. energy: -1.156 local terms energy: -201.395588 where: bonds (distance) C4'-P energy: -48.658 bonds (distance) P-C4' energy: -57.526 flat angles C4'-P-C4' energy: -60.572 flat angles P-C4'-P energy: -18.497 tors. eta vs tors. theta energy: -16.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -439.017116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.017116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.017116 (E_RNA) where: Base-Base interactions energy: -230.817 where: short stacking energy: -120.198 Base-Backbone interact. energy: 1.544 local terms energy: -209.743984 where: bonds (distance) C4'-P energy: -54.079 bonds (distance) P-C4' energy: -57.710 flat angles C4'-P-C4' energy: -41.533 flat angles P-C4'-P energy: -38.142 tors. eta vs tors. theta energy: -18.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -272.180782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.180782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.180782 (E_RNA) where: Base-Base interactions energy: -112.060 where: short stacking energy: -72.032 Base-Backbone interact. energy: 4.225 local terms energy: -164.346049 where: bonds (distance) C4'-P energy: -47.382 bonds (distance) P-C4' energy: -44.430 flat angles C4'-P-C4' energy: -40.440 flat angles P-C4'-P energy: -36.103 tors. eta vs tors. theta energy: 4.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1161.127476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.127476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.127476 (E_RNA) where: Base-Base interactions energy: -811.516 where: short stacking energy: -329.113 Base-Backbone interact. energy: -1.085 local terms energy: -348.525785 where: bonds (distance) C4'-P energy: -66.779 bonds (distance) P-C4' energy: -73.391 flat angles C4'-P-C4' energy: -72.392 flat angles P-C4'-P energy: -47.271 tors. eta vs tors. theta energy: -88.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1090.770993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.770993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.770993 (E_RNA) where: Base-Base interactions energy: -769.450 where: short stacking energy: -310.582 Base-Backbone interact. energy: -1.150 local terms energy: -320.170937 where: bonds (distance) C4'-P energy: -66.207 bonds (distance) P-C4' energy: -57.069 flat angles C4'-P-C4' energy: -67.973 flat angles P-C4'-P energy: -38.169 tors. eta vs tors. theta energy: -90.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1059.996794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.996794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.996794 (E_RNA) where: Base-Base interactions energy: -720.107 where: short stacking energy: -303.246 Base-Backbone interact. energy: -1.964 local terms energy: -337.925147 where: bonds (distance) C4'-P energy: -60.757 bonds (distance) P-C4' energy: -69.671 flat angles C4'-P-C4' energy: -69.882 flat angles P-C4'-P energy: -49.035 tors. eta vs tors. theta energy: -88.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1024.896383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.896383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.896383 (E_RNA) where: Base-Base interactions energy: -699.798 where: short stacking energy: -295.225 Base-Backbone interact. energy: -0.643 local terms energy: -324.455307 where: bonds (distance) C4'-P energy: -56.359 bonds (distance) P-C4' energy: -60.572 flat angles C4'-P-C4' energy: -67.211 flat angles P-C4'-P energy: -50.140 tors. eta vs tors. theta energy: -90.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -918.438139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.438139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.438139 (E_RNA) where: Base-Base interactions energy: -639.692 where: short stacking energy: -260.503 Base-Backbone interact. energy: 0.432 local terms energy: -279.178728 where: bonds (distance) C4'-P energy: -49.031 bonds (distance) P-C4' energy: -60.525 flat angles C4'-P-C4' energy: -59.062 flat angles P-C4'-P energy: -38.139 tors. eta vs tors. theta energy: -72.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -841.279351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.279351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.279351 (E_RNA) where: Base-Base interactions energy: -538.789 where: short stacking energy: -252.052 Base-Backbone interact. energy: -0.635 local terms energy: -301.855431 where: bonds (distance) C4'-P energy: -59.111 bonds (distance) P-C4' energy: -63.799 flat angles C4'-P-C4' energy: -59.872 flat angles P-C4'-P energy: -45.358 tors. eta vs tors. theta energy: -73.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -600.461200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.461200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.461200 (E_RNA) where: Base-Base interactions energy: -373.551 where: short stacking energy: -172.615 Base-Backbone interact. energy: -2.232 local terms energy: -224.678695 where: bonds (distance) C4'-P energy: -45.248 bonds (distance) P-C4' energy: -59.082 flat angles C4'-P-C4' energy: -58.553 flat angles P-C4'-P energy: -36.401 tors. eta vs tors. theta energy: -25.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -501.132827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.132827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.132827 (E_RNA) where: Base-Base interactions energy: -266.236 where: short stacking energy: -153.979 Base-Backbone interact. energy: -0.576 local terms energy: -234.320897 where: bonds (distance) C4'-P energy: -56.031 bonds (distance) P-C4' energy: -61.682 flat angles C4'-P-C4' energy: -43.665 flat angles P-C4'-P energy: -42.109 tors. eta vs tors. theta energy: -30.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -452.599352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.599352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.599352 (E_RNA) where: Base-Base interactions energy: -252.278 where: short stacking energy: -135.651 Base-Backbone interact. energy: 0.726 local terms energy: -201.047169 where: bonds (distance) C4'-P energy: -55.671 bonds (distance) P-C4' energy: -54.546 flat angles C4'-P-C4' energy: -50.316 flat angles P-C4'-P energy: -26.736 tors. eta vs tors. theta energy: -13.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -257.996571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.996571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.996571 (E_RNA) where: Base-Base interactions energy: -113.660 where: short stacking energy: -85.814 Base-Backbone interact. energy: 0.450 local terms energy: -144.787010 where: bonds (distance) C4'-P energy: -47.440 bonds (distance) P-C4' energy: -57.545 flat angles C4'-P-C4' energy: -27.554 flat angles P-C4'-P energy: -22.010 tors. eta vs tors. theta energy: 9.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1154.270613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.270613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.270613 (E_RNA) where: Base-Base interactions energy: -816.047 where: short stacking energy: -310.344 Base-Backbone interact. energy: 2.662 local terms energy: -340.885649 where: bonds (distance) C4'-P energy: -60.118 bonds (distance) P-C4' energy: -61.731 flat angles C4'-P-C4' energy: -79.207 flat angles P-C4'-P energy: -50.640 tors. eta vs tors. theta energy: -89.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1100.608555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.608555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.608555 (E_RNA) where: Base-Base interactions energy: -757.777 where: short stacking energy: -309.572 Base-Backbone interact. energy: -0.263 local terms energy: -342.568440 where: bonds (distance) C4'-P energy: -63.649 bonds (distance) P-C4' energy: -65.538 flat angles C4'-P-C4' energy: -76.071 flat angles P-C4'-P energy: -42.163 tors. eta vs tors. theta energy: -95.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1046.871958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.871958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.871958 (E_RNA) where: Base-Base interactions energy: -728.309 where: short stacking energy: -305.075 Base-Backbone interact. energy: -1.901 local terms energy: -316.662473 where: bonds (distance) C4'-P energy: -45.407 bonds (distance) P-C4' energy: -59.395 flat angles C4'-P-C4' energy: -67.907 flat angles P-C4'-P energy: -51.087 tors. eta vs tors. theta energy: -92.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1031.213087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.213087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.213087 (E_RNA) where: Base-Base interactions energy: -707.992 where: short stacking energy: -277.699 Base-Backbone interact. energy: -1.505 local terms energy: -321.715965 where: bonds (distance) C4'-P energy: -56.262 bonds (distance) P-C4' energy: -62.279 flat angles C4'-P-C4' energy: -70.332 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -90.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -916.007603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.007603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.007603 (E_RNA) where: Base-Base interactions energy: -619.398 where: short stacking energy: -265.799 Base-Backbone interact. energy: -1.045 local terms energy: -295.564770 where: bonds (distance) C4'-P energy: -46.096 bonds (distance) P-C4' energy: -67.190 flat angles C4'-P-C4' energy: -65.696 flat angles P-C4'-P energy: -41.406 tors. eta vs tors. theta energy: -75.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -819.819397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.819397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.819397 (E_RNA) where: Base-Base interactions energy: -541.016 where: short stacking energy: -253.525 Base-Backbone interact. energy: 1.158 local terms energy: -279.961306 where: bonds (distance) C4'-P energy: -51.482 bonds (distance) P-C4' energy: -56.262 flat angles C4'-P-C4' energy: -64.025 flat angles P-C4'-P energy: -38.034 tors. eta vs tors. theta energy: -70.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -623.773753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.773753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.773753 (E_RNA) where: Base-Base interactions energy: -358.064 where: short stacking energy: -171.546 Base-Backbone interact. energy: 2.201 local terms energy: -267.910396 where: bonds (distance) C4'-P energy: -66.204 bonds (distance) P-C4' energy: -64.505 flat angles C4'-P-C4' energy: -50.097 flat angles P-C4'-P energy: -42.538 tors. eta vs tors. theta energy: -44.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -487.760715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.760715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.760715 (E_RNA) where: Base-Base interactions energy: -282.988 where: short stacking energy: -152.316 Base-Backbone interact. energy: 0.616 local terms energy: -205.389228 where: bonds (distance) C4'-P energy: -55.002 bonds (distance) P-C4' energy: -60.069 flat angles C4'-P-C4' energy: -48.630 flat angles P-C4'-P energy: -17.135 tors. eta vs tors. theta energy: -24.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -471.628122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.628122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.628122 (E_RNA) where: Base-Base interactions energy: -258.792 where: short stacking energy: -159.717 Base-Backbone interact. energy: 0.252 local terms energy: -213.088315 where: bonds (distance) C4'-P energy: -41.129 bonds (distance) P-C4' energy: -58.324 flat angles C4'-P-C4' energy: -60.045 flat angles P-C4'-P energy: -33.909 tors. eta vs tors. theta energy: -19.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -292.104463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.104463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.104463 (E_RNA) where: Base-Base interactions energy: -102.382 where: short stacking energy: -96.160 Base-Backbone interact. energy: 1.538 local terms energy: -191.260866 where: bonds (distance) C4'-P energy: -56.617 bonds (distance) P-C4' energy: -58.452 flat angles C4'-P-C4' energy: -41.678 flat angles P-C4'-P energy: -30.090 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1155.659547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.659547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.659547 (E_RNA) where: Base-Base interactions energy: -825.782 where: short stacking energy: -322.745 Base-Backbone interact. energy: -0.441 local terms energy: -329.436986 where: bonds (distance) C4'-P energy: -62.613 bonds (distance) P-C4' energy: -69.094 flat angles C4'-P-C4' energy: -69.451 flat angles P-C4'-P energy: -45.990 tors. eta vs tors. theta energy: -82.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1099.951329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.951329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.951329 (E_RNA) where: Base-Base interactions energy: -777.599 where: short stacking energy: -323.753 Base-Backbone interact. energy: -2.506 local terms energy: -319.846941 where: bonds (distance) C4'-P energy: -69.390 bonds (distance) P-C4' energy: -63.471 flat angles C4'-P-C4' energy: -56.374 flat angles P-C4'-P energy: -40.901 tors. eta vs tors. theta energy: -89.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1036.870627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.870627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.870627 (E_RNA) where: Base-Base interactions energy: -694.963 where: short stacking energy: -309.308 Base-Backbone interact. energy: -1.651 local terms energy: -340.256691 where: bonds (distance) C4'-P energy: -62.343 bonds (distance) P-C4' energy: -60.349 flat angles C4'-P-C4' energy: -67.220 flat angles P-C4'-P energy: -43.591 tors. eta vs tors. theta energy: -106.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1022.182394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.182394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.182394 (E_RNA) where: Base-Base interactions energy: -735.965 where: short stacking energy: -296.435 Base-Backbone interact. energy: -0.942 local terms energy: -285.274823 where: bonds (distance) C4'-P energy: -45.958 bonds (distance) P-C4' energy: -59.033 flat angles C4'-P-C4' energy: -59.531 flat angles P-C4'-P energy: -38.653 tors. eta vs tors. theta energy: -82.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -913.805116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.805116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.805116 (E_RNA) where: Base-Base interactions energy: -608.679 where: short stacking energy: -249.911 Base-Backbone interact. energy: 1.784 local terms energy: -306.910174 where: bonds (distance) C4'-P energy: -55.775 bonds (distance) P-C4' energy: -61.262 flat angles C4'-P-C4' energy: -68.508 flat angles P-C4'-P energy: -50.066 tors. eta vs tors. theta energy: -71.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -831.148550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.148550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.148550 (E_RNA) where: Base-Base interactions energy: -529.429 where: short stacking energy: -259.783 Base-Backbone interact. energy: -1.690 local terms energy: -300.029424 where: bonds (distance) C4'-P energy: -56.746 bonds (distance) P-C4' energy: -61.944 flat angles C4'-P-C4' energy: -65.592 flat angles P-C4'-P energy: -46.833 tors. eta vs tors. theta energy: -68.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -622.995387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.995387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.995387 (E_RNA) where: Base-Base interactions energy: -387.167 where: short stacking energy: -183.280 Base-Backbone interact. energy: -1.761 local terms energy: -234.067120 where: bonds (distance) C4'-P energy: -33.949 bonds (distance) P-C4' energy: -72.575 flat angles C4'-P-C4' energy: -57.597 flat angles P-C4'-P energy: -34.387 tors. eta vs tors. theta energy: -35.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -512.901015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.901015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.901015 (E_RNA) where: Base-Base interactions energy: -301.927 where: short stacking energy: -155.698 Base-Backbone interact. energy: -1.705 local terms energy: -209.268554 where: bonds (distance) C4'-P energy: -49.796 bonds (distance) P-C4' energy: -58.059 flat angles C4'-P-C4' energy: -39.221 flat angles P-C4'-P energy: -42.121 tors. eta vs tors. theta energy: -20.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -432.227615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.227615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.227615 (E_RNA) where: Base-Base interactions energy: -224.842 where: short stacking energy: -125.486 Base-Backbone interact. energy: 0.456 local terms energy: -207.842374 where: bonds (distance) C4'-P energy: -50.150 bonds (distance) P-C4' energy: -51.408 flat angles C4'-P-C4' energy: -51.213 flat angles P-C4'-P energy: -39.679 tors. eta vs tors. theta energy: -15.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -261.106779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.106779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.106779 (E_RNA) where: Base-Base interactions energy: -62.705 where: short stacking energy: -54.293 Base-Backbone interact. energy: -1.038 local terms energy: -197.363993 where: bonds (distance) C4'-P energy: -60.697 bonds (distance) P-C4' energy: -66.011 flat angles C4'-P-C4' energy: -54.132 flat angles P-C4'-P energy: -26.690 tors. eta vs tors. theta energy: 10.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1143.840221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.840221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.840221 (E_RNA) where: Base-Base interactions energy: -798.819 where: short stacking energy: -320.854 Base-Backbone interact. energy: -2.400 local terms energy: -342.621311 where: bonds (distance) C4'-P energy: -63.765 bonds (distance) P-C4' energy: -63.045 flat angles C4'-P-C4' energy: -76.905 flat angles P-C4'-P energy: -49.583 tors. eta vs tors. theta energy: -89.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1098.571331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.571331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.571331 (E_RNA) where: Base-Base interactions energy: -773.643 where: short stacking energy: -299.764 Base-Backbone interact. energy: -2.117 local terms energy: -322.810538 where: bonds (distance) C4'-P energy: -61.913 bonds (distance) P-C4' energy: -64.756 flat angles C4'-P-C4' energy: -59.299 flat angles P-C4'-P energy: -52.680 tors. eta vs tors. theta energy: -84.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1047.192096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.192096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.192096 (E_RNA) where: Base-Base interactions energy: -728.895 where: short stacking energy: -302.879 Base-Backbone interact. energy: -1.720 local terms energy: -316.577224 where: bonds (distance) C4'-P energy: -60.250 bonds (distance) P-C4' energy: -51.738 flat angles C4'-P-C4' energy: -70.880 flat angles P-C4'-P energy: -49.628 tors. eta vs tors. theta energy: -84.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1023.426556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.426556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.426556 (E_RNA) where: Base-Base interactions energy: -690.656 where: short stacking energy: -309.623 Base-Backbone interact. energy: -0.811 local terms energy: -331.959234 where: bonds (distance) C4'-P energy: -49.333 bonds (distance) P-C4' energy: -64.988 flat angles C4'-P-C4' energy: -77.437 flat angles P-C4'-P energy: -46.416 tors. eta vs tors. theta energy: -93.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -929.703617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.703617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.703617 (E_RNA) where: Base-Base interactions energy: -626.081 where: short stacking energy: -260.274 Base-Backbone interact. energy: -1.161 local terms energy: -302.461803 where: bonds (distance) C4'-P energy: -69.950 bonds (distance) P-C4' energy: -58.881 flat angles C4'-P-C4' energy: -55.893 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -70.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -816.961969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.961969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.961969 (E_RNA) where: Base-Base interactions energy: -518.478 where: short stacking energy: -247.093 Base-Backbone interact. energy: -1.535 local terms energy: -296.949230 where: bonds (distance) C4'-P energy: -55.252 bonds (distance) P-C4' energy: -65.778 flat angles C4'-P-C4' energy: -63.699 flat angles P-C4'-P energy: -44.795 tors. eta vs tors. theta energy: -67.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -670.810754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.810754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.810754 (E_RNA) where: Base-Base interactions energy: -400.996 where: short stacking energy: -207.005 Base-Backbone interact. energy: -1.152 local terms energy: -268.663121 where: bonds (distance) C4'-P energy: -57.022 bonds (distance) P-C4' energy: -58.816 flat angles C4'-P-C4' energy: -60.980 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: -47.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -540.802406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.802406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.802406 (E_RNA) where: Base-Base interactions energy: -312.328 where: short stacking energy: -162.303 Base-Backbone interact. energy: 0.060 local terms energy: -228.534278 where: bonds (distance) C4'-P energy: -53.299 bonds (distance) P-C4' energy: -59.933 flat angles C4'-P-C4' energy: -49.417 flat angles P-C4'-P energy: -36.304 tors. eta vs tors. theta energy: -29.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -408.108262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.108262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.108262 (E_RNA) where: Base-Base interactions energy: -195.581 where: short stacking energy: -111.816 Base-Backbone interact. energy: 2.175 local terms energy: -214.701572 where: bonds (distance) C4'-P energy: -58.710 bonds (distance) P-C4' energy: -58.957 flat angles C4'-P-C4' energy: -45.153 flat angles P-C4'-P energy: -37.266 tors. eta vs tors. theta energy: -14.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -285.027869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.027869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.027869 (E_RNA) where: Base-Base interactions energy: -105.701 where: short stacking energy: -78.502 Base-Backbone interact. energy: 1.916 local terms energy: -181.243157 where: bonds (distance) C4'-P energy: -65.448 bonds (distance) P-C4' energy: -52.730 flat angles C4'-P-C4' energy: -52.300 flat angles P-C4'-P energy: -9.382 tors. eta vs tors. theta energy: -1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1154.204539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.204539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.204539 (E_RNA) where: Base-Base interactions energy: -815.888 where: short stacking energy: -311.303 Base-Backbone interact. energy: -1.121 local terms energy: -337.195717 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -70.404 flat angles C4'-P-C4' energy: -67.625 flat angles P-C4'-P energy: -49.988 tors. eta vs tors. theta energy: -89.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1096.299911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.299911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.299911 (E_RNA) where: Base-Base interactions energy: -765.723 where: short stacking energy: -301.185 Base-Backbone interact. energy: -1.602 local terms energy: -328.975481 where: bonds (distance) C4'-P energy: -62.810 bonds (distance) P-C4' energy: -65.956 flat angles C4'-P-C4' energy: -69.849 flat angles P-C4'-P energy: -45.784 tors. eta vs tors. theta energy: -84.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1065.148424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.148424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.148424 (E_RNA) where: Base-Base interactions energy: -738.902 where: short stacking energy: -291.272 Base-Backbone interact. energy: -2.294 local terms energy: -323.952115 where: bonds (distance) C4'-P energy: -56.970 bonds (distance) P-C4' energy: -64.055 flat angles C4'-P-C4' energy: -65.513 flat angles P-C4'-P energy: -48.351 tors. eta vs tors. theta energy: -89.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -997.462227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.462227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.462227 (E_RNA) where: Base-Base interactions energy: -675.662 where: short stacking energy: -318.552 Base-Backbone interact. energy: 0.116 local terms energy: -321.916748 where: bonds (distance) C4'-P energy: -53.654 bonds (distance) P-C4' energy: -61.317 flat angles C4'-P-C4' energy: -72.601 flat angles P-C4'-P energy: -40.255 tors. eta vs tors. theta energy: -94.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -905.589708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.589708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.589708 (E_RNA) where: Base-Base interactions energy: -605.880 where: short stacking energy: -261.631 Base-Backbone interact. energy: -0.350 local terms energy: -299.359712 where: bonds (distance) C4'-P energy: -58.943 bonds (distance) P-C4' energy: -58.701 flat angles C4'-P-C4' energy: -65.877 flat angles P-C4'-P energy: -35.285 tors. eta vs tors. theta energy: -80.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -832.091220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.091220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.091220 (E_RNA) where: Base-Base interactions energy: -551.698 where: short stacking energy: -256.772 Base-Backbone interact. energy: 0.306 local terms energy: -280.698639 where: bonds (distance) C4'-P energy: -55.391 bonds (distance) P-C4' energy: -53.954 flat angles C4'-P-C4' energy: -61.401 flat angles P-C4'-P energy: -44.967 tors. eta vs tors. theta energy: -64.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -681.020865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.020865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.020865 (E_RNA) where: Base-Base interactions energy: -421.558 where: short stacking energy: -206.925 Base-Backbone interact. energy: -1.013 local terms energy: -258.449609 where: bonds (distance) C4'-P energy: -47.088 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -63.590 flat angles P-C4'-P energy: -41.847 tors. eta vs tors. theta energy: -42.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -485.290667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.290667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.290667 (E_RNA) where: Base-Base interactions energy: -264.734 where: short stacking energy: -137.102 Base-Backbone interact. energy: -1.107 local terms energy: -219.449275 where: bonds (distance) C4'-P energy: -48.080 bonds (distance) P-C4' energy: -57.805 flat angles C4'-P-C4' energy: -57.661 flat angles P-C4'-P energy: -29.442 tors. eta vs tors. theta energy: -26.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -436.254226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.254226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.254226 (E_RNA) where: Base-Base interactions energy: -239.214 where: short stacking energy: -139.421 Base-Backbone interact. energy: 0.690 local terms energy: -197.730190 where: bonds (distance) C4'-P energy: -60.705 bonds (distance) P-C4' energy: -53.002 flat angles C4'-P-C4' energy: -43.423 flat angles P-C4'-P energy: -30.740 tors. eta vs tors. theta energy: -9.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -266.828736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.828736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.828736 (E_RNA) where: Base-Base interactions energy: -93.658 where: short stacking energy: -88.791 Base-Backbone interact. energy: -2.056 local terms energy: -171.114831 where: bonds (distance) C4'-P energy: -51.575 bonds (distance) P-C4' energy: -54.023 flat angles C4'-P-C4' energy: -44.858 flat angles P-C4'-P energy: -29.882 tors. eta vs tors. theta energy: 9.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1167.537072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.537072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.537072 (E_RNA) where: Base-Base interactions energy: -826.636 where: short stacking energy: -316.511 Base-Backbone interact. energy: -1.858 local terms energy: -339.042753 where: bonds (distance) C4'-P energy: -70.133 bonds (distance) P-C4' energy: -70.787 flat angles C4'-P-C4' energy: -62.335 flat angles P-C4'-P energy: -53.047 tors. eta vs tors. theta energy: -82.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1109.172783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.172783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.172783 (E_RNA) where: Base-Base interactions energy: -798.918 where: short stacking energy: -332.822 Base-Backbone interact. energy: -1.834 local terms energy: -308.421354 where: bonds (distance) C4'-P energy: -50.729 bonds (distance) P-C4' energy: -65.423 flat angles C4'-P-C4' energy: -66.683 flat angles P-C4'-P energy: -33.518 tors. eta vs tors. theta energy: -92.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1062.065362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.065362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.065362 (E_RNA) where: Base-Base interactions energy: -740.283 where: short stacking energy: -293.148 Base-Backbone interact. energy: 0.695 local terms energy: -322.477782 where: bonds (distance) C4'-P energy: -58.645 bonds (distance) P-C4' energy: -68.375 flat angles C4'-P-C4' energy: -64.371 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -87.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -991.188656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.188656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.188656 (E_RNA) where: Base-Base interactions energy: -667.056 where: short stacking energy: -295.996 Base-Backbone interact. energy: 0.152 local terms energy: -324.284959 where: bonds (distance) C4'-P energy: -61.621 bonds (distance) P-C4' energy: -54.053 flat angles C4'-P-C4' energy: -72.443 flat angles P-C4'-P energy: -49.294 tors. eta vs tors. theta energy: -86.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -887.215900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.215900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.215900 (E_RNA) where: Base-Base interactions energy: -590.744 where: short stacking energy: -260.475 Base-Backbone interact. energy: -1.312 local terms energy: -295.160221 where: bonds (distance) C4'-P energy: -53.473 bonds (distance) P-C4' energy: -61.647 flat angles C4'-P-C4' energy: -67.326 flat angles P-C4'-P energy: -44.490 tors. eta vs tors. theta energy: -68.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -880.387911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.387911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.387911 (E_RNA) where: Base-Base interactions energy: -581.482 where: short stacking energy: -266.750 Base-Backbone interact. energy: -1.293 local terms energy: -297.612883 where: bonds (distance) C4'-P energy: -66.848 bonds (distance) P-C4' energy: -59.389 flat angles C4'-P-C4' energy: -63.272 flat angles P-C4'-P energy: -34.485 tors. eta vs tors. theta energy: -73.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -680.344166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.344166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.344166 (E_RNA) where: Base-Base interactions energy: -427.054 where: short stacking energy: -209.798 Base-Backbone interact. energy: -0.685 local terms energy: -252.605396 where: bonds (distance) C4'-P energy: -45.789 bonds (distance) P-C4' energy: -44.741 flat angles C4'-P-C4' energy: -66.358 flat angles P-C4'-P energy: -47.355 tors. eta vs tors. theta energy: -48.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -495.927610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.927610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.927610 (E_RNA) where: Base-Base interactions energy: -284.946 where: short stacking energy: -167.040 Base-Backbone interact. energy: -0.558 local terms energy: -210.423000 where: bonds (distance) C4'-P energy: -43.108 bonds (distance) P-C4' energy: -54.067 flat angles C4'-P-C4' energy: -55.922 flat angles P-C4'-P energy: -27.738 tors. eta vs tors. theta energy: -29.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -396.685252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.685252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.685252 (E_RNA) where: Base-Base interactions energy: -230.247 where: short stacking energy: -129.154 Base-Backbone interact. energy: -0.845 local terms energy: -165.593343 where: bonds (distance) C4'-P energy: -52.504 bonds (distance) P-C4' energy: -51.982 flat angles C4'-P-C4' energy: -31.836 flat angles P-C4'-P energy: -22.858 tors. eta vs tors. theta energy: -6.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -265.290353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.290353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.290353 (E_RNA) where: Base-Base interactions energy: -92.163 where: short stacking energy: -89.432 Base-Backbone interact. energy: 2.959 local terms energy: -176.086915 where: bonds (distance) C4'-P energy: -48.238 bonds (distance) P-C4' energy: -53.460 flat angles C4'-P-C4' energy: -52.601 flat angles P-C4'-P energy: -28.305 tors. eta vs tors. theta energy: 6.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1150.896119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.896119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.896119 (E_RNA) where: Base-Base interactions energy: -806.067 where: short stacking energy: -316.658 Base-Backbone interact. energy: -1.721 local terms energy: -343.108675 where: bonds (distance) C4'-P energy: -69.842 bonds (distance) P-C4' energy: -60.421 flat angles C4'-P-C4' energy: -74.705 flat angles P-C4'-P energy: -53.925 tors. eta vs tors. theta energy: -84.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1109.779899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.779899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.779899 (E_RNA) where: Base-Base interactions energy: -775.714 where: short stacking energy: -322.524 Base-Backbone interact. energy: 0.594 local terms energy: -334.659909 where: bonds (distance) C4'-P energy: -64.666 bonds (distance) P-C4' energy: -65.804 flat angles C4'-P-C4' energy: -72.526 flat angles P-C4'-P energy: -42.081 tors. eta vs tors. theta energy: -89.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1049.093349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.093349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.093349 (E_RNA) where: Base-Base interactions energy: -729.219 where: short stacking energy: -289.570 Base-Backbone interact. energy: 0.476 local terms energy: -320.349612 where: bonds (distance) C4'-P energy: -60.257 bonds (distance) P-C4' energy: -59.847 flat angles C4'-P-C4' energy: -67.353 flat angles P-C4'-P energy: -46.503 tors. eta vs tors. theta energy: -86.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -999.416493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.416493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.416493 (E_RNA) where: Base-Base interactions energy: -689.820 where: short stacking energy: -292.449 Base-Backbone interact. energy: -2.410 local terms energy: -307.186492 where: bonds (distance) C4'-P energy: -51.148 bonds (distance) P-C4' energy: -58.800 flat angles C4'-P-C4' energy: -64.981 flat angles P-C4'-P energy: -49.049 tors. eta vs tors. theta energy: -83.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -898.933156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.933156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.933156 (E_RNA) where: Base-Base interactions energy: -615.732 where: short stacking energy: -271.505 Base-Backbone interact. energy: -1.051 local terms energy: -282.150726 where: bonds (distance) C4'-P energy: -46.651 bonds (distance) P-C4' energy: -53.004 flat angles C4'-P-C4' energy: -60.335 flat angles P-C4'-P energy: -44.040 tors. eta vs tors. theta energy: -78.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -875.596631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.596631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.596631 (E_RNA) where: Base-Base interactions energy: -571.780 where: short stacking energy: -266.132 Base-Backbone interact. energy: -1.568 local terms energy: -302.249288 where: bonds (distance) C4'-P energy: -63.992 bonds (distance) P-C4' energy: -59.720 flat angles C4'-P-C4' energy: -66.748 flat angles P-C4'-P energy: -29.045 tors. eta vs tors. theta energy: -82.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -679.594978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.594978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.594978 (E_RNA) where: Base-Base interactions energy: -422.506 where: short stacking energy: -199.357 Base-Backbone interact. energy: -3.247 local terms energy: -253.841743 where: bonds (distance) C4'-P energy: -51.993 bonds (distance) P-C4' energy: -56.410 flat angles C4'-P-C4' energy: -66.636 flat angles P-C4'-P energy: -39.800 tors. eta vs tors. theta energy: -39.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -491.085651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.085651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.085651 (E_RNA) where: Base-Base interactions energy: -271.803 where: short stacking energy: -152.385 Base-Backbone interact. energy: -2.022 local terms energy: -217.260549 where: bonds (distance) C4'-P energy: -64.343 bonds (distance) P-C4' energy: -47.809 flat angles C4'-P-C4' energy: -49.937 flat angles P-C4'-P energy: -31.973 tors. eta vs tors. theta energy: -23.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -414.564750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.564750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.564750 (E_RNA) where: Base-Base interactions energy: -213.413 where: short stacking energy: -133.860 Base-Backbone interact. energy: -1.651 local terms energy: -199.501549 where: bonds (distance) C4'-P energy: -52.861 bonds (distance) P-C4' energy: -63.120 flat angles C4'-P-C4' energy: -47.007 flat angles P-C4'-P energy: -20.467 tors. eta vs tors. theta energy: -16.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -272.147934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.147934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.147934 (E_RNA) where: Base-Base interactions energy: -100.963 where: short stacking energy: -90.389 Base-Backbone interact. energy: -1.579 local terms energy: -169.605691 where: bonds (distance) C4'-P energy: -57.048 bonds (distance) P-C4' energy: -55.305 flat angles C4'-P-C4' energy: -42.029 flat angles P-C4'-P energy: -16.661 tors. eta vs tors. theta energy: 1.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1160.446029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.446029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.446029 (E_RNA) where: Base-Base interactions energy: -824.576 where: short stacking energy: -320.523 Base-Backbone interact. energy: -0.751 local terms energy: -335.118747 where: bonds (distance) C4'-P energy: -61.086 bonds (distance) P-C4' energy: -61.760 flat angles C4'-P-C4' energy: -76.405 flat angles P-C4'-P energy: -52.880 tors. eta vs tors. theta energy: -82.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1101.605036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.605036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.605036 (E_RNA) where: Base-Base interactions energy: -768.310 where: short stacking energy: -312.929 Base-Backbone interact. energy: -3.112 local terms energy: -330.183072 where: bonds (distance) C4'-P energy: -65.863 bonds (distance) P-C4' energy: -54.846 flat angles C4'-P-C4' energy: -71.553 flat angles P-C4'-P energy: -48.186 tors. eta vs tors. theta energy: -89.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1052.775573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.775573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.775573 (E_RNA) where: Base-Base interactions energy: -719.322 where: short stacking energy: -292.190 Base-Backbone interact. energy: -0.965 local terms energy: -332.488132 where: bonds (distance) C4'-P energy: -62.113 bonds (distance) P-C4' energy: -65.754 flat angles C4'-P-C4' energy: -72.410 flat angles P-C4'-P energy: -46.116 tors. eta vs tors. theta energy: -86.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1007.251404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.251404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.251404 (E_RNA) where: Base-Base interactions energy: -675.360 where: short stacking energy: -299.743 Base-Backbone interact. energy: -1.053 local terms energy: -330.838737 where: bonds (distance) C4'-P energy: -49.757 bonds (distance) P-C4' energy: -59.313 flat angles C4'-P-C4' energy: -73.786 flat angles P-C4'-P energy: -48.954 tors. eta vs tors. theta energy: -99.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -884.343643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.343643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.343643 (E_RNA) where: Base-Base interactions energy: -573.639 where: short stacking energy: -279.900 Base-Backbone interact. energy: -2.410 local terms energy: -308.295186 where: bonds (distance) C4'-P energy: -57.063 bonds (distance) P-C4' energy: -58.408 flat angles C4'-P-C4' energy: -66.422 flat angles P-C4'-P energy: -42.036 tors. eta vs tors. theta energy: -84.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -874.615185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.615185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.615185 (E_RNA) where: Base-Base interactions energy: -601.050 where: short stacking energy: -244.290 Base-Backbone interact. energy: -2.665 local terms energy: -270.900134 where: bonds (distance) C4'-P energy: -55.182 bonds (distance) P-C4' energy: -49.326 flat angles C4'-P-C4' energy: -57.845 flat angles P-C4'-P energy: -40.104 tors. eta vs tors. theta energy: -68.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -647.558759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.558759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.558759 (E_RNA) where: Base-Base interactions energy: -409.480 where: short stacking energy: -180.090 Base-Backbone interact. energy: -1.456 local terms energy: -236.621998 where: bonds (distance) C4'-P energy: -63.080 bonds (distance) P-C4' energy: -46.784 flat angles C4'-P-C4' energy: -53.920 flat angles P-C4'-P energy: -39.240 tors. eta vs tors. theta energy: -33.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -522.681935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.681935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.681935 (E_RNA) where: Base-Base interactions energy: -312.356 where: short stacking energy: -165.870 Base-Backbone interact. energy: -0.274 local terms energy: -210.052597 where: bonds (distance) C4'-P energy: -42.222 bonds (distance) P-C4' energy: -65.509 flat angles C4'-P-C4' energy: -50.974 flat angles P-C4'-P energy: -36.525 tors. eta vs tors. theta energy: -14.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -384.642045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.642045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.642045 (E_RNA) where: Base-Base interactions energy: -204.009 where: short stacking energy: -116.813 Base-Backbone interact. energy: -0.707 local terms energy: -179.925471 where: bonds (distance) C4'-P energy: -49.040 bonds (distance) P-C4' energy: -60.345 flat angles C4'-P-C4' energy: -44.483 flat angles P-C4'-P energy: -20.880 tors. eta vs tors. theta energy: -5.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -278.421526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.421526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.421526 (E_RNA) where: Base-Base interactions energy: -113.036 where: short stacking energy: -89.042 Base-Backbone interact. energy: 0.537 local terms energy: -165.921937 where: bonds (distance) C4'-P energy: -53.638 bonds (distance) P-C4' energy: -48.828 flat angles C4'-P-C4' energy: -53.372 flat angles P-C4'-P energy: -19.532 tors. eta vs tors. theta energy: 9.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1160.203469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.203469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.203469 (E_RNA) where: Base-Base interactions energy: -817.385 where: short stacking energy: -328.424 Base-Backbone interact. energy: -0.111 local terms energy: -342.707433 where: bonds (distance) C4'-P energy: -69.934 bonds (distance) P-C4' energy: -58.062 flat angles C4'-P-C4' energy: -74.817 flat angles P-C4'-P energy: -47.840 tors. eta vs tors. theta energy: -92.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1112.610510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.610510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.610510 (E_RNA) where: Base-Base interactions energy: -767.935 where: short stacking energy: -329.581 Base-Backbone interact. energy: -4.586 local terms energy: -340.089484 where: bonds (distance) C4'-P energy: -67.160 bonds (distance) P-C4' energy: -64.026 flat angles C4'-P-C4' energy: -72.860 flat angles P-C4'-P energy: -42.116 tors. eta vs tors. theta energy: -93.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1072.626732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.626732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.626732 (E_RNA) where: Base-Base interactions energy: -755.447 where: short stacking energy: -328.971 Base-Backbone interact. energy: -3.849 local terms energy: -313.331600 where: bonds (distance) C4'-P energy: -57.570 bonds (distance) P-C4' energy: -58.280 flat angles C4'-P-C4' energy: -62.519 flat angles P-C4'-P energy: -40.188 tors. eta vs tors. theta energy: -94.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1019.499720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.499720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.499720 (E_RNA) where: Base-Base interactions energy: -690.702 where: short stacking energy: -297.978 Base-Backbone interact. energy: -1.298 local terms energy: -327.499957 where: bonds (distance) C4'-P energy: -56.529 bonds (distance) P-C4' energy: -67.255 flat angles C4'-P-C4' energy: -62.901 flat angles P-C4'-P energy: -48.716 tors. eta vs tors. theta energy: -92.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -893.031733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.031733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.031733 (E_RNA) where: Base-Base interactions energy: -597.676 where: short stacking energy: -285.871 Base-Backbone interact. energy: 1.840 local terms energy: -297.195926 where: bonds (distance) C4'-P energy: -55.644 bonds (distance) P-C4' energy: -59.090 flat angles C4'-P-C4' energy: -61.205 flat angles P-C4'-P energy: -40.978 tors. eta vs tors. theta energy: -80.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -889.418973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.418973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.418973 (E_RNA) where: Base-Base interactions energy: -619.735 where: short stacking energy: -271.720 Base-Backbone interact. energy: -2.047 local terms energy: -267.637490 where: bonds (distance) C4'-P energy: -52.972 bonds (distance) P-C4' energy: -37.341 flat angles C4'-P-C4' energy: -64.188 flat angles P-C4'-P energy: -34.349 tors. eta vs tors. theta energy: -78.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -654.475906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.475906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.475906 (E_RNA) where: Base-Base interactions energy: -400.199 where: short stacking energy: -192.136 Base-Backbone interact. energy: -1.187 local terms energy: -253.090267 where: bonds (distance) C4'-P energy: -64.400 bonds (distance) P-C4' energy: -55.707 flat angles C4'-P-C4' energy: -54.105 flat angles P-C4'-P energy: -43.215 tors. eta vs tors. theta energy: -35.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -541.220401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.220401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.220401 (E_RNA) where: Base-Base interactions energy: -311.762 where: short stacking energy: -131.601 Base-Backbone interact. energy: 1.066 local terms energy: -230.524922 where: bonds (distance) C4'-P energy: -58.698 bonds (distance) P-C4' energy: -55.272 flat angles C4'-P-C4' energy: -60.240 flat angles P-C4'-P energy: -36.760 tors. eta vs tors. theta energy: -19.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -437.514509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.514509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.514509 (E_RNA) where: Base-Base interactions energy: -225.438 where: short stacking energy: -142.370 Base-Backbone interact. energy: 0.380 local terms energy: -212.455998 where: bonds (distance) C4'-P energy: -47.771 bonds (distance) P-C4' energy: -66.010 flat angles C4'-P-C4' energy: -53.925 flat angles P-C4'-P energy: -32.042 tors. eta vs tors. theta energy: -12.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -259.323284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.323284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.323284 (E_RNA) where: Base-Base interactions energy: -85.541 where: short stacking energy: -68.135 Base-Backbone interact. energy: -0.039 local terms energy: -173.743372 where: bonds (distance) C4'-P energy: -53.974 bonds (distance) P-C4' energy: -57.011 flat angles C4'-P-C4' energy: -47.750 flat angles P-C4'-P energy: -26.518 tors. eta vs tors. theta energy: 11.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1160.115663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.115663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.115663 (E_RNA) where: Base-Base interactions energy: -833.328 where: short stacking energy: -325.754 Base-Backbone interact. energy: -0.698 local terms energy: -326.090119 where: bonds (distance) C4'-P energy: -62.537 bonds (distance) P-C4' energy: -59.845 flat angles C4'-P-C4' energy: -70.983 flat angles P-C4'-P energy: -44.904 tors. eta vs tors. theta energy: -87.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1102.363997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.363997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.363997 (E_RNA) where: Base-Base interactions energy: -779.007 where: short stacking energy: -314.196 Base-Backbone interact. energy: 1.552 local terms energy: -324.909000 where: bonds (distance) C4'-P energy: -66.557 bonds (distance) P-C4' energy: -62.355 flat angles C4'-P-C4' energy: -70.231 flat angles P-C4'-P energy: -37.655 tors. eta vs tors. theta energy: -88.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1080.460576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.460576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.460576 (E_RNA) where: Base-Base interactions energy: -750.062 where: short stacking energy: -310.025 Base-Backbone interact. energy: -1.613 local terms energy: -328.784903 where: bonds (distance) C4'-P energy: -65.977 bonds (distance) P-C4' energy: -54.951 flat angles C4'-P-C4' energy: -72.043 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: -86.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1012.866318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.866318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.866318 (E_RNA) where: Base-Base interactions energy: -684.461 where: short stacking energy: -309.076 Base-Backbone interact. energy: -0.657 local terms energy: -327.748339 where: bonds (distance) C4'-P energy: -60.868 bonds (distance) P-C4' energy: -64.281 flat angles C4'-P-C4' energy: -72.103 flat angles P-C4'-P energy: -39.006 tors. eta vs tors. theta energy: -91.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -903.769051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.769051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.769051 (E_RNA) where: Base-Base interactions energy: -611.517 where: short stacking energy: -275.525 Base-Backbone interact. energy: -0.956 local terms energy: -291.296278 where: bonds (distance) C4'-P energy: -54.190 bonds (distance) P-C4' energy: -57.597 flat angles C4'-P-C4' energy: -69.617 flat angles P-C4'-P energy: -35.433 tors. eta vs tors. theta energy: -74.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -855.322156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.322156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.322156 (E_RNA) where: Base-Base interactions energy: -564.556 where: short stacking energy: -246.503 Base-Backbone interact. energy: -0.849 local terms energy: -289.917607 where: bonds (distance) C4'-P energy: -52.216 bonds (distance) P-C4' energy: -57.507 flat angles C4'-P-C4' energy: -64.826 flat angles P-C4'-P energy: -48.897 tors. eta vs tors. theta energy: -66.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -564.360757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.360757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.360757 (E_RNA) where: Base-Base interactions energy: -321.559 where: short stacking energy: -171.670 Base-Backbone interact. energy: 0.472 local terms energy: -243.273295 where: bonds (distance) C4'-P energy: -50.323 bonds (distance) P-C4' energy: -70.436 flat angles C4'-P-C4' energy: -55.545 flat angles P-C4'-P energy: -32.336 tors. eta vs tors. theta energy: -34.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -684.109257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.109257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.109257 (E_RNA) where: Base-Base interactions energy: -445.135 where: short stacking energy: -210.104 Base-Backbone interact. energy: -0.695 local terms energy: -238.279731 where: bonds (distance) C4'-P energy: -47.304 bonds (distance) P-C4' energy: -55.619 flat angles C4'-P-C4' energy: -55.619 flat angles P-C4'-P energy: -37.826 tors. eta vs tors. theta energy: -41.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -434.792404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.792404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.792404 (E_RNA) where: Base-Base interactions energy: -222.278 where: short stacking energy: -142.768 Base-Backbone interact. energy: 1.548 local terms energy: -214.062038 where: bonds (distance) C4'-P energy: -53.282 bonds (distance) P-C4' energy: -57.457 flat angles C4'-P-C4' energy: -58.051 flat angles P-C4'-P energy: -25.518 tors. eta vs tors. theta energy: -19.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -265.164396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.164396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.164396 (E_RNA) where: Base-Base interactions energy: -94.931 where: short stacking energy: -72.035 Base-Backbone interact. energy: -1.659 local terms energy: -168.574847 where: bonds (distance) C4'-P energy: -50.021 bonds (distance) P-C4' energy: -48.668 flat angles C4'-P-C4' energy: -46.540 flat angles P-C4'-P energy: -29.066 tors. eta vs tors. theta energy: 5.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1169.240213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.240213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.240213 (E_RNA) where: Base-Base interactions energy: -834.594 where: short stacking energy: -321.732 Base-Backbone interact. energy: -1.245 local terms energy: -333.400829 where: bonds (distance) C4'-P energy: -71.831 bonds (distance) P-C4' energy: -54.329 flat angles C4'-P-C4' energy: -74.329 flat angles P-C4'-P energy: -44.723 tors. eta vs tors. theta energy: -88.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1092.559196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.559196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.559196 (E_RNA) where: Base-Base interactions energy: -768.508 where: short stacking energy: -314.332 Base-Backbone interact. energy: 1.206 local terms energy: -325.256982 where: bonds (distance) C4'-P energy: -61.402 bonds (distance) P-C4' energy: -64.922 flat angles C4'-P-C4' energy: -67.288 flat angles P-C4'-P energy: -41.610 tors. eta vs tors. theta energy: -90.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1079.813030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.813030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.813030 (E_RNA) where: Base-Base interactions energy: -758.967 where: short stacking energy: -307.562 Base-Backbone interact. energy: 0.516 local terms energy: -321.362365 where: bonds (distance) C4'-P energy: -64.871 bonds (distance) P-C4' energy: -68.603 flat angles C4'-P-C4' energy: -61.590 flat angles P-C4'-P energy: -39.147 tors. eta vs tors. theta energy: -87.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1011.558061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.558061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.558061 (E_RNA) where: Base-Base interactions energy: -682.272 where: short stacking energy: -309.908 Base-Backbone interact. energy: -1.110 local terms energy: -328.176022 where: bonds (distance) C4'-P energy: -65.758 bonds (distance) P-C4' energy: -70.980 flat angles C4'-P-C4' energy: -59.663 flat angles P-C4'-P energy: -41.510 tors. eta vs tors. theta energy: -90.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -919.405993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.405993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.405993 (E_RNA) where: Base-Base interactions energy: -635.104 where: short stacking energy: -259.836 Base-Backbone interact. energy: -1.033 local terms energy: -283.269050 where: bonds (distance) C4'-P energy: -50.379 bonds (distance) P-C4' energy: -50.740 flat angles C4'-P-C4' energy: -66.803 flat angles P-C4'-P energy: -42.558 tors. eta vs tors. theta energy: -72.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -824.772334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.772334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.772334 (E_RNA) where: Base-Base interactions energy: -526.254 where: short stacking energy: -238.171 Base-Backbone interact. energy: -2.114 local terms energy: -296.403888 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -61.301 flat angles C4'-P-C4' energy: -65.547 flat angles P-C4'-P energy: -42.767 tors. eta vs tors. theta energy: -68.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -555.808482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.808482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.808482 (E_RNA) where: Base-Base interactions energy: -317.574 where: short stacking energy: -153.550 Base-Backbone interact. energy: 3.723 local terms energy: -241.957045 where: bonds (distance) C4'-P energy: -66.160 bonds (distance) P-C4' energy: -53.844 flat angles C4'-P-C4' energy: -62.830 flat angles P-C4'-P energy: -42.716 tors. eta vs tors. theta energy: -16.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -702.268251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.268251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.268251 (E_RNA) where: Base-Base interactions energy: -469.839 where: short stacking energy: -210.051 Base-Backbone interact. energy: 3.172 local terms energy: -235.601960 where: bonds (distance) C4'-P energy: -55.511 bonds (distance) P-C4' energy: -54.521 flat angles C4'-P-C4' energy: -58.114 flat angles P-C4'-P energy: -28.101 tors. eta vs tors. theta energy: -39.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -422.063262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.063262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.063262 (E_RNA) where: Base-Base interactions energy: -224.996 where: short stacking energy: -115.954 Base-Backbone interact. energy: -0.257 local terms energy: -196.810812 where: bonds (distance) C4'-P energy: -54.618 bonds (distance) P-C4' energy: -54.754 flat angles C4'-P-C4' energy: -46.471 flat angles P-C4'-P energy: -39.704 tors. eta vs tors. theta energy: -1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -259.599785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.599785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.599785 (E_RNA) where: Base-Base interactions energy: -75.899 where: short stacking energy: -65.366 Base-Backbone interact. energy: -0.276 local terms energy: -183.424319 where: bonds (distance) C4'-P energy: -57.167 bonds (distance) P-C4' energy: -57.623 flat angles C4'-P-C4' energy: -57.973 flat angles P-C4'-P energy: -20.091 tors. eta vs tors. theta energy: 9.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1154.328800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.328800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.328800 (E_RNA) where: Base-Base interactions energy: -812.585 where: short stacking energy: -322.130 Base-Backbone interact. energy: -0.882 local terms energy: -340.861498 where: bonds (distance) C4'-P energy: -53.018 bonds (distance) P-C4' energy: -73.793 flat angles C4'-P-C4' energy: -76.917 flat angles P-C4'-P energy: -43.326 tors. eta vs tors. theta energy: -93.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1094.037147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.037147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.037147 (E_RNA) where: Base-Base interactions energy: -754.084 where: short stacking energy: -326.259 Base-Backbone interact. energy: -1.424 local terms energy: -338.529009 where: bonds (distance) C4'-P energy: -64.575 bonds (distance) P-C4' energy: -70.995 flat angles C4'-P-C4' energy: -66.262 flat angles P-C4'-P energy: -45.516 tors. eta vs tors. theta energy: -91.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1089.536058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.536058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.536058 (E_RNA) where: Base-Base interactions energy: -758.495 where: short stacking energy: -311.066 Base-Backbone interact. energy: -0.281 local terms energy: -330.760393 where: bonds (distance) C4'-P energy: -64.510 bonds (distance) P-C4' energy: -67.698 flat angles C4'-P-C4' energy: -62.372 flat angles P-C4'-P energy: -47.764 tors. eta vs tors. theta energy: -88.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -986.380072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.380072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.380072 (E_RNA) where: Base-Base interactions energy: -662.560 where: short stacking energy: -277.572 Base-Backbone interact. energy: 0.231 local terms energy: -324.051455 where: bonds (distance) C4'-P energy: -53.982 bonds (distance) P-C4' energy: -64.135 flat angles C4'-P-C4' energy: -66.119 flat angles P-C4'-P energy: -50.622 tors. eta vs tors. theta energy: -89.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -922.530348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.530348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.530348 (E_RNA) where: Base-Base interactions energy: -615.739 where: short stacking energy: -257.689 Base-Backbone interact. energy: -0.643 local terms energy: -306.148163 where: bonds (distance) C4'-P energy: -64.141 bonds (distance) P-C4' energy: -53.513 flat angles C4'-P-C4' energy: -57.824 flat angles P-C4'-P energy: -50.137 tors. eta vs tors. theta energy: -80.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -799.074371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.074371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.074371 (E_RNA) where: Base-Base interactions energy: -501.805 where: short stacking energy: -229.367 Base-Backbone interact. energy: -2.738 local terms energy: -294.530907 where: bonds (distance) C4'-P energy: -57.985 bonds (distance) P-C4' energy: -65.323 flat angles C4'-P-C4' energy: -70.305 flat angles P-C4'-P energy: -40.703 tors. eta vs tors. theta energy: -60.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -728.892319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.892319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.892319 (E_RNA) where: Base-Base interactions energy: -479.566 where: short stacking energy: -201.625 Base-Backbone interact. energy: -3.470 local terms energy: -245.856422 where: bonds (distance) C4'-P energy: -57.759 bonds (distance) P-C4' energy: -48.796 flat angles C4'-P-C4' energy: -43.534 flat angles P-C4'-P energy: -46.873 tors. eta vs tors. theta energy: -48.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -571.880007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.880007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.880007 (E_RNA) where: Base-Base interactions energy: -322.610 where: short stacking energy: -138.961 Base-Backbone interact. energy: -1.426 local terms energy: -247.844058 where: bonds (distance) C4'-P energy: -61.118 bonds (distance) P-C4' energy: -55.775 flat angles C4'-P-C4' energy: -62.049 flat angles P-C4'-P energy: -44.013 tors. eta vs tors. theta energy: -24.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -436.661802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.661802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.661802 (E_RNA) where: Base-Base interactions energy: -240.375 where: short stacking energy: -126.944 Base-Backbone interact. energy: -0.352 local terms energy: -195.934614 where: bonds (distance) C4'-P energy: -47.911 bonds (distance) P-C4' energy: -54.071 flat angles C4'-P-C4' energy: -44.646 flat angles P-C4'-P energy: -34.303 tors. eta vs tors. theta energy: -15.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -264.077658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.077658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.077658 (E_RNA) where: Base-Base interactions energy: -84.506 where: short stacking energy: -75.891 Base-Backbone interact. energy: -0.440 local terms energy: -179.131764 where: bonds (distance) C4'-P energy: -42.522 bonds (distance) P-C4' energy: -56.810 flat angles C4'-P-C4' energy: -52.978 flat angles P-C4'-P energy: -17.733 tors. eta vs tors. theta energy: -9.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1167.313975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.313975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.313975 (E_RNA) where: Base-Base interactions energy: -823.589 where: short stacking energy: -327.299 Base-Backbone interact. energy: -1.953 local terms energy: -341.771357 where: bonds (distance) C4'-P energy: -65.705 bonds (distance) P-C4' energy: -61.836 flat angles C4'-P-C4' energy: -71.572 flat angles P-C4'-P energy: -44.748 tors. eta vs tors. theta energy: -97.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1115.380404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.380404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.380404 (E_RNA) where: Base-Base interactions energy: -777.575 where: short stacking energy: -315.251 Base-Backbone interact. energy: 0.854 local terms energy: -338.659869 where: bonds (distance) C4'-P energy: -66.344 bonds (distance) P-C4' energy: -69.601 flat angles C4'-P-C4' energy: -66.917 flat angles P-C4'-P energy: -47.453 tors. eta vs tors. theta energy: -88.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1067.409386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.409386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.409386 (E_RNA) where: Base-Base interactions energy: -731.913 where: short stacking energy: -309.411 Base-Backbone interact. energy: -1.149 local terms energy: -334.346748 where: bonds (distance) C4'-P energy: -57.012 bonds (distance) P-C4' energy: -60.105 flat angles C4'-P-C4' energy: -71.360 flat angles P-C4'-P energy: -55.662 tors. eta vs tors. theta energy: -90.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -961.876681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.876681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.876681 (E_RNA) where: Base-Base interactions energy: -637.433 where: short stacking energy: -272.595 Base-Backbone interact. energy: -2.503 local terms energy: -321.941192 where: bonds (distance) C4'-P energy: -67.762 bonds (distance) P-C4' energy: -59.455 flat angles C4'-P-C4' energy: -64.603 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -84.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -966.138577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.138577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.138577 (E_RNA) where: Base-Base interactions energy: -662.068 where: short stacking energy: -283.640 Base-Backbone interact. energy: -1.076 local terms energy: -302.994525 where: bonds (distance) C4'-P energy: -51.233 bonds (distance) P-C4' energy: -59.957 flat angles C4'-P-C4' energy: -66.280 flat angles P-C4'-P energy: -44.909 tors. eta vs tors. theta energy: -80.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -785.636605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.636605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.636605 (E_RNA) where: Base-Base interactions energy: -509.862 where: short stacking energy: -237.762 Base-Backbone interact. energy: -1.624 local terms energy: -274.149809 where: bonds (distance) C4'-P energy: -62.678 bonds (distance) P-C4' energy: -58.619 flat angles C4'-P-C4' energy: -52.555 flat angles P-C4'-P energy: -32.096 tors. eta vs tors. theta energy: -68.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -753.287899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.287899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.287899 (E_RNA) where: Base-Base interactions energy: -489.705 where: short stacking energy: -219.424 Base-Backbone interact. energy: -1.587 local terms energy: -261.995710 where: bonds (distance) C4'-P energy: -55.331 bonds (distance) P-C4' energy: -47.017 flat angles C4'-P-C4' energy: -56.848 flat angles P-C4'-P energy: -42.022 tors. eta vs tors. theta energy: -60.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -548.340485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.340485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.340485 (E_RNA) where: Base-Base interactions energy: -322.711 where: short stacking energy: -162.077 Base-Backbone interact. energy: -1.271 local terms energy: -224.358387 where: bonds (distance) C4'-P energy: -60.606 bonds (distance) P-C4' energy: -45.913 flat angles C4'-P-C4' energy: -57.510 flat angles P-C4'-P energy: -39.003 tors. eta vs tors. theta energy: -21.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -436.057243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.057243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.057243 (E_RNA) where: Base-Base interactions energy: -222.636 where: short stacking energy: -118.452 Base-Backbone interact. energy: 1.149 local terms energy: -214.569290 where: bonds (distance) C4'-P energy: -61.503 bonds (distance) P-C4' energy: -63.395 flat angles C4'-P-C4' energy: -42.231 flat angles P-C4'-P energy: -37.311 tors. eta vs tors. theta energy: -10.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -246.809007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.809007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.809007 (E_RNA) where: Base-Base interactions energy: -68.582 where: short stacking energy: -55.585 Base-Backbone interact. energy: -0.252 local terms energy: -177.974888 where: bonds (distance) C4'-P energy: -57.353 bonds (distance) P-C4' energy: -53.733 flat angles C4'-P-C4' energy: -44.414 flat angles P-C4'-P energy: -33.872 tors. eta vs tors. theta energy: 11.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1170.189515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.189515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.189515 (E_RNA) where: Base-Base interactions energy: -831.766 where: short stacking energy: -326.162 Base-Backbone interact. energy: -1.257 local terms energy: -337.166889 where: bonds (distance) C4'-P energy: -53.187 bonds (distance) P-C4' energy: -66.689 flat angles C4'-P-C4' energy: -77.341 flat angles P-C4'-P energy: -48.782 tors. eta vs tors. theta energy: -91.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1115.081545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.081545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.081545 (E_RNA) where: Base-Base interactions energy: -783.090 where: short stacking energy: -329.576 Base-Backbone interact. energy: -0.518 local terms energy: -331.473104 where: bonds (distance) C4'-P energy: -66.050 bonds (distance) P-C4' energy: -57.468 flat angles C4'-P-C4' energy: -74.070 flat angles P-C4'-P energy: -45.742 tors. eta vs tors. theta energy: -88.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1082.562039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.562039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.562039 (E_RNA) where: Base-Base interactions energy: -756.424 where: short stacking energy: -310.363 Base-Backbone interact. energy: -0.713 local terms energy: -325.425169 where: bonds (distance) C4'-P energy: -62.739 bonds (distance) P-C4' energy: -55.340 flat angles C4'-P-C4' energy: -66.738 flat angles P-C4'-P energy: -47.161 tors. eta vs tors. theta energy: -93.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -942.140829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.140829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.140829 (E_RNA) where: Base-Base interactions energy: -636.865 where: short stacking energy: -278.234 Base-Backbone interact. energy: -0.627 local terms energy: -304.649262 where: bonds (distance) C4'-P energy: -49.846 bonds (distance) P-C4' energy: -53.426 flat angles C4'-P-C4' energy: -65.532 flat angles P-C4'-P energy: -51.490 tors. eta vs tors. theta energy: -84.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -971.171300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.171300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.171300 (E_RNA) where: Base-Base interactions energy: -666.419 where: short stacking energy: -291.699 Base-Backbone interact. energy: -0.888 local terms energy: -303.863978 where: bonds (distance) C4'-P energy: -51.691 bonds (distance) P-C4' energy: -55.059 flat angles C4'-P-C4' energy: -67.005 flat angles P-C4'-P energy: -48.389 tors. eta vs tors. theta energy: -81.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -806.223507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.223507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.223507 (E_RNA) where: Base-Base interactions energy: -538.113 where: short stacking energy: -227.276 Base-Backbone interact. energy: -0.497 local terms energy: -267.613402 where: bonds (distance) C4'-P energy: -56.531 bonds (distance) P-C4' energy: -56.029 flat angles C4'-P-C4' energy: -59.888 flat angles P-C4'-P energy: -38.158 tors. eta vs tors. theta energy: -57.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -794.908316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.908316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.908316 (E_RNA) where: Base-Base interactions energy: -516.839 where: short stacking energy: -247.086 Base-Backbone interact. energy: 0.684 local terms energy: -278.753480 where: bonds (distance) C4'-P energy: -55.426 bonds (distance) P-C4' energy: -62.191 flat angles C4'-P-C4' energy: -61.632 flat angles P-C4'-P energy: -29.200 tors. eta vs tors. theta energy: -70.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -545.942729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.942729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.942729 (E_RNA) where: Base-Base interactions energy: -325.805 where: short stacking energy: -169.767 Base-Backbone interact. energy: -0.065 local terms energy: -220.072778 where: bonds (distance) C4'-P energy: -61.190 bonds (distance) P-C4' energy: -53.980 flat angles C4'-P-C4' energy: -49.051 flat angles P-C4'-P energy: -22.683 tors. eta vs tors. theta energy: -33.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -470.693974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.693974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.693974 (E_RNA) where: Base-Base interactions energy: -255.956 where: short stacking energy: -154.501 Base-Backbone interact. energy: -0.713 local terms energy: -214.025000 where: bonds (distance) C4'-P energy: -62.105 bonds (distance) P-C4' energy: -59.397 flat angles C4'-P-C4' energy: -48.747 flat angles P-C4'-P energy: -25.022 tors. eta vs tors. theta energy: -18.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -264.504815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.504815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.504815 (E_RNA) where: Base-Base interactions energy: -86.024 where: short stacking energy: -86.903 Base-Backbone interact. energy: -0.596 local terms energy: -177.884296 where: bonds (distance) C4'-P energy: -54.269 bonds (distance) P-C4' energy: -60.265 flat angles C4'-P-C4' energy: -44.585 flat angles P-C4'-P energy: -25.113 tors. eta vs tors. theta energy: 6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1165.173607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.173607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.173607 (E_RNA) where: Base-Base interactions energy: -829.861 where: short stacking energy: -314.299 Base-Backbone interact. energy: 1.398 local terms energy: -336.711195 where: bonds (distance) C4'-P energy: -63.056 bonds (distance) P-C4' energy: -60.741 flat angles C4'-P-C4' energy: -71.590 flat angles P-C4'-P energy: -46.139 tors. eta vs tors. theta energy: -95.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1113.676302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.676302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.676302 (E_RNA) where: Base-Base interactions energy: -780.001 where: short stacking energy: -317.933 Base-Backbone interact. energy: -0.668 local terms energy: -333.006844 where: bonds (distance) C4'-P energy: -61.407 bonds (distance) P-C4' energy: -63.823 flat angles C4'-P-C4' energy: -67.227 flat angles P-C4'-P energy: -46.301 tors. eta vs tors. theta energy: -94.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1082.116826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.116826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.116826 (E_RNA) where: Base-Base interactions energy: -762.523 where: short stacking energy: -304.168 Base-Backbone interact. energy: -2.025 local terms energy: -317.568815 where: bonds (distance) C4'-P energy: -62.359 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -57.953 flat angles P-C4'-P energy: -47.351 tors. eta vs tors. theta energy: -85.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -983.054180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.054180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.054180 (E_RNA) where: Base-Base interactions energy: -670.084 where: short stacking energy: -293.702 Base-Backbone interact. energy: 3.416 local terms energy: -316.385788 where: bonds (distance) C4'-P energy: -56.661 bonds (distance) P-C4' energy: -45.936 flat angles C4'-P-C4' energy: -70.890 flat angles P-C4'-P energy: -54.641 tors. eta vs tors. theta energy: -88.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -921.606317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.606317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.606317 (E_RNA) where: Base-Base interactions energy: -654.353 where: short stacking energy: -286.453 Base-Backbone interact. energy: -0.525 local terms energy: -266.727944 where: bonds (distance) C4'-P energy: -46.691 bonds (distance) P-C4' energy: -45.637 flat angles C4'-P-C4' energy: -57.127 flat angles P-C4'-P energy: -34.018 tors. eta vs tors. theta energy: -83.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -810.819248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.819248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.819248 (E_RNA) where: Base-Base interactions energy: -519.658 where: short stacking energy: -241.003 Base-Backbone interact. energy: -0.097 local terms energy: -291.064227 where: bonds (distance) C4'-P energy: -48.621 bonds (distance) P-C4' energy: -65.872 flat angles C4'-P-C4' energy: -67.168 flat angles P-C4'-P energy: -43.942 tors. eta vs tors. theta energy: -65.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -755.784009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.784009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.784009 (E_RNA) where: Base-Base interactions energy: -487.956 where: short stacking energy: -219.280 Base-Backbone interact. energy: 1.167 local terms energy: -268.995733 where: bonds (distance) C4'-P energy: -49.809 bonds (distance) P-C4' energy: -63.468 flat angles C4'-P-C4' energy: -48.244 flat angles P-C4'-P energy: -42.954 tors. eta vs tors. theta energy: -64.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -511.259309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.259309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.259309 (E_RNA) where: Base-Base interactions energy: -294.439 where: short stacking energy: -139.671 Base-Backbone interact. energy: 5.120 local terms energy: -221.940728 where: bonds (distance) C4'-P energy: -60.198 bonds (distance) P-C4' energy: -58.177 flat angles C4'-P-C4' energy: -42.624 flat angles P-C4'-P energy: -34.999 tors. eta vs tors. theta energy: -25.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -440.572520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.572520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.572520 (E_RNA) where: Base-Base interactions energy: -225.362 where: short stacking energy: -142.485 Base-Backbone interact. energy: 0.599 local terms energy: -215.809355 where: bonds (distance) C4'-P energy: -55.248 bonds (distance) P-C4' energy: -57.816 flat angles C4'-P-C4' energy: -61.720 flat angles P-C4'-P energy: -14.607 tors. eta vs tors. theta energy: -26.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -270.288114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.288114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.288114 (E_RNA) where: Base-Base interactions energy: -82.112 where: short stacking energy: -82.112 Base-Backbone interact. energy: -1.646 local terms energy: -186.529873 where: bonds (distance) C4'-P energy: -52.919 bonds (distance) P-C4' energy: -52.941 flat angles C4'-P-C4' energy: -56.048 flat angles P-C4'-P energy: -30.403 tors. eta vs tors. theta energy: 5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1115.549660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.549660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.549660 (E_RNA) where: Base-Base interactions energy: -779.767 where: short stacking energy: -322.059 Base-Backbone interact. energy: -1.621 local terms energy: -334.161189 where: bonds (distance) C4'-P energy: -61.770 bonds (distance) P-C4' energy: -67.840 flat angles C4'-P-C4' energy: -62.240 flat angles P-C4'-P energy: -46.324 tors. eta vs tors. theta energy: -95.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1121.642083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.642083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.642083 (E_RNA) where: Base-Base interactions energy: -810.196 where: short stacking energy: -306.040 Base-Backbone interact. energy: -2.800 local terms energy: -308.645685 where: bonds (distance) C4'-P energy: -54.126 bonds (distance) P-C4' energy: -64.045 flat angles C4'-P-C4' energy: -61.693 flat angles P-C4'-P energy: -41.835 tors. eta vs tors. theta energy: -86.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1098.448769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.448769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.448769 (E_RNA) where: Base-Base interactions energy: -772.390 where: short stacking energy: -324.243 Base-Backbone interact. energy: 0.272 local terms energy: -326.330202 where: bonds (distance) C4'-P energy: -52.406 bonds (distance) P-C4' energy: -65.862 flat angles C4'-P-C4' energy: -73.378 flat angles P-C4'-P energy: -45.802 tors. eta vs tors. theta energy: -88.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -994.196972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.196972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.196972 (E_RNA) where: Base-Base interactions energy: -671.470 where: short stacking energy: -294.178 Base-Backbone interact. energy: -0.073 local terms energy: -322.654312 where: bonds (distance) C4'-P energy: -61.376 bonds (distance) P-C4' energy: -63.969 flat angles C4'-P-C4' energy: -70.241 flat angles P-C4'-P energy: -42.907 tors. eta vs tors. theta energy: -84.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -953.395531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.395531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.395531 (E_RNA) where: Base-Base interactions energy: -651.524 where: short stacking energy: -274.796 Base-Backbone interact. energy: -3.260 local terms energy: -298.611176 where: bonds (distance) C4'-P energy: -56.987 bonds (distance) P-C4' energy: -62.023 flat angles C4'-P-C4' energy: -59.514 flat angles P-C4'-P energy: -37.636 tors. eta vs tors. theta energy: -82.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -847.049232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.049232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.049232 (E_RNA) where: Base-Base interactions energy: -539.917 where: short stacking energy: -261.720 Base-Backbone interact. energy: -0.609 local terms energy: -306.522488 where: bonds (distance) C4'-P energy: -56.532 bonds (distance) P-C4' energy: -65.095 flat angles C4'-P-C4' energy: -61.553 flat angles P-C4'-P energy: -44.985 tors. eta vs tors. theta energy: -78.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -770.798911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.798911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.798911 (E_RNA) where: Base-Base interactions energy: -482.683 where: short stacking energy: -224.940 Base-Backbone interact. energy: -0.973 local terms energy: -287.142628 where: bonds (distance) C4'-P energy: -63.177 bonds (distance) P-C4' energy: -54.730 flat angles C4'-P-C4' energy: -67.496 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: -54.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -550.450500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.450500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.450500 (E_RNA) where: Base-Base interactions energy: -319.766 where: short stacking energy: -145.828 Base-Backbone interact. energy: -2.779 local terms energy: -227.905695 where: bonds (distance) C4'-P energy: -47.178 bonds (distance) P-C4' energy: -65.638 flat angles C4'-P-C4' energy: -50.796 flat angles P-C4'-P energy: -38.794 tors. eta vs tors. theta energy: -25.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -385.447886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.447886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.447886 (E_RNA) where: Base-Base interactions energy: -185.770 where: short stacking energy: -122.731 Base-Backbone interact. energy: -0.369 local terms energy: -199.309177 where: bonds (distance) C4'-P energy: -48.820 bonds (distance) P-C4' energy: -61.485 flat angles C4'-P-C4' energy: -50.524 flat angles P-C4'-P energy: -31.283 tors. eta vs tors. theta energy: -7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -278.714427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.714427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.714427 (E_RNA) where: Base-Base interactions energy: -103.279 where: short stacking energy: -93.647 Base-Backbone interact. energy: -2.651 local terms energy: -172.784393 where: bonds (distance) C4'-P energy: -41.961 bonds (distance) P-C4' energy: -53.213 flat angles C4'-P-C4' energy: -45.492 flat angles P-C4'-P energy: -29.415 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1132.517636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.517636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.517636 (E_RNA) where: Base-Base interactions energy: -793.157 where: short stacking energy: -318.743 Base-Backbone interact. energy: -1.740 local terms energy: -337.621073 where: bonds (distance) C4'-P energy: -57.564 bonds (distance) P-C4' energy: -63.942 flat angles C4'-P-C4' energy: -74.700 flat angles P-C4'-P energy: -48.173 tors. eta vs tors. theta energy: -93.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1141.883093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.883093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.883093 (E_RNA) where: Base-Base interactions energy: -800.777 where: short stacking energy: -312.552 Base-Backbone interact. energy: 2.380 local terms energy: -343.486347 where: bonds (distance) C4'-P energy: -63.985 bonds (distance) P-C4' energy: -62.896 flat angles C4'-P-C4' energy: -77.222 flat angles P-C4'-P energy: -49.230 tors. eta vs tors. theta energy: -90.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1055.264290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.264290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.264290 (E_RNA) where: Base-Base interactions energy: -751.055 where: short stacking energy: -307.701 Base-Backbone interact. energy: 2.839 local terms energy: -307.048516 where: bonds (distance) C4'-P energy: -60.233 bonds (distance) P-C4' energy: -65.055 flat angles C4'-P-C4' energy: -60.445 flat angles P-C4'-P energy: -35.354 tors. eta vs tors. theta energy: -85.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -995.761547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.761547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.761547 (E_RNA) where: Base-Base interactions energy: -670.086 where: short stacking energy: -293.193 Base-Backbone interact. energy: -0.148 local terms energy: -325.527819 where: bonds (distance) C4'-P energy: -59.856 bonds (distance) P-C4' energy: -55.028 flat angles C4'-P-C4' energy: -67.112 flat angles P-C4'-P energy: -55.803 tors. eta vs tors. theta energy: -87.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -949.666266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.666266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.666266 (E_RNA) where: Base-Base interactions energy: -639.835 where: short stacking energy: -274.523 Base-Backbone interact. energy: -1.533 local terms energy: -308.298303 where: bonds (distance) C4'-P energy: -57.776 bonds (distance) P-C4' energy: -63.221 flat angles C4'-P-C4' energy: -60.664 flat angles P-C4'-P energy: -33.000 tors. eta vs tors. theta energy: -93.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -823.795078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.795078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.795078 (E_RNA) where: Base-Base interactions energy: -535.182 where: short stacking energy: -273.075 Base-Backbone interact. energy: -0.347 local terms energy: -288.266192 where: bonds (distance) C4'-P energy: -39.132 bonds (distance) P-C4' energy: -60.072 flat angles C4'-P-C4' energy: -64.743 flat angles P-C4'-P energy: -40.599 tors. eta vs tors. theta energy: -83.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -733.916796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.916796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.916796 (E_RNA) where: Base-Base interactions energy: -495.249 where: short stacking energy: -230.692 Base-Backbone interact. energy: 7.803 local terms energy: -246.470627 where: bonds (distance) C4'-P energy: -53.231 bonds (distance) P-C4' energy: -48.242 flat angles C4'-P-C4' energy: -58.009 flat angles P-C4'-P energy: -31.667 tors. eta vs tors. theta energy: -55.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -538.213453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.213453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.213453 (E_RNA) where: Base-Base interactions energy: -327.286 where: short stacking energy: -156.856 Base-Backbone interact. energy: 0.025 local terms energy: -210.952929 where: bonds (distance) C4'-P energy: -56.385 bonds (distance) P-C4' energy: -47.981 flat angles C4'-P-C4' energy: -48.968 flat angles P-C4'-P energy: -32.337 tors. eta vs tors. theta energy: -25.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -392.120829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.120829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.120829 (E_RNA) where: Base-Base interactions energy: -223.427 where: short stacking energy: -128.799 Base-Backbone interact. energy: 0.384 local terms energy: -169.077352 where: bonds (distance) C4'-P energy: -37.730 bonds (distance) P-C4' energy: -48.804 flat angles C4'-P-C4' energy: -51.976 flat angles P-C4'-P energy: -20.095 tors. eta vs tors. theta energy: -10.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -273.858332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.858332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.858332 (E_RNA) where: Base-Base interactions energy: -102.881 where: short stacking energy: -88.823 Base-Backbone interact. energy: -0.547 local terms energy: -170.430317 where: bonds (distance) C4'-P energy: -49.780 bonds (distance) P-C4' energy: -66.168 flat angles C4'-P-C4' energy: -37.285 flat angles P-C4'-P energy: -31.240 tors. eta vs tors. theta energy: 14.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1162.624129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.624129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.624129 (E_RNA) where: Base-Base interactions energy: -812.242 where: short stacking energy: -315.866 Base-Backbone interact. energy: -0.517 local terms energy: -349.865833 where: bonds (distance) C4'-P energy: -73.454 bonds (distance) P-C4' energy: -61.984 flat angles C4'-P-C4' energy: -74.286 flat angles P-C4'-P energy: -46.105 tors. eta vs tors. theta energy: -94.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1105.954190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.954190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.954190 (E_RNA) where: Base-Base interactions energy: -789.560 where: short stacking energy: -310.362 Base-Backbone interact. energy: -1.017 local terms energy: -315.377076 where: bonds (distance) C4'-P energy: -53.014 bonds (distance) P-C4' energy: -56.042 flat angles C4'-P-C4' energy: -69.044 flat angles P-C4'-P energy: -47.027 tors. eta vs tors. theta energy: -90.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1049.520197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.520197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.520197 (E_RNA) where: Base-Base interactions energy: -743.901 where: short stacking energy: -303.024 Base-Backbone interact. energy: -0.569 local terms energy: -305.050203 where: bonds (distance) C4'-P energy: -59.510 bonds (distance) P-C4' energy: -52.189 flat angles C4'-P-C4' energy: -64.152 flat angles P-C4'-P energy: -44.122 tors. eta vs tors. theta energy: -85.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -978.854083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.854083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.854083 (E_RNA) where: Base-Base interactions energy: -666.716 where: short stacking energy: -292.429 Base-Backbone interact. energy: -1.172 local terms energy: -310.965947 where: bonds (distance) C4'-P energy: -46.371 bonds (distance) P-C4' energy: -64.996 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -46.358 tors. eta vs tors. theta energy: -82.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -829.469151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.469151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.469151 (E_RNA) where: Base-Base interactions energy: -529.029 where: short stacking energy: -237.260 Base-Backbone interact. energy: -1.570 local terms energy: -298.870581 where: bonds (distance) C4'-P energy: -54.603 bonds (distance) P-C4' energy: -62.967 flat angles C4'-P-C4' energy: -66.806 flat angles P-C4'-P energy: -52.616 tors. eta vs tors. theta energy: -61.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -873.034728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.034728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.034728 (E_RNA) where: Base-Base interactions energy: -592.230 where: short stacking energy: -251.186 Base-Backbone interact. energy: -0.317 local terms energy: -280.487500 where: bonds (distance) C4'-P energy: -49.033 bonds (distance) P-C4' energy: -57.269 flat angles C4'-P-C4' energy: -57.646 flat angles P-C4'-P energy: -41.413 tors. eta vs tors. theta energy: -75.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -772.726244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.726244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.726244 (E_RNA) where: Base-Base interactions energy: -507.136 where: short stacking energy: -220.683 Base-Backbone interact. energy: -3.360 local terms energy: -262.229968 where: bonds (distance) C4'-P energy: -56.766 bonds (distance) P-C4' energy: -62.850 flat angles C4'-P-C4' energy: -59.993 flat angles P-C4'-P energy: -36.063 tors. eta vs tors. theta energy: -46.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -601.194555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.194555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.194555 (E_RNA) where: Base-Base interactions energy: -368.524 where: short stacking energy: -180.912 Base-Backbone interact. energy: -1.447 local terms energy: -231.223264 where: bonds (distance) C4'-P energy: -50.966 bonds (distance) P-C4' energy: -56.305 flat angles C4'-P-C4' energy: -56.445 flat angles P-C4'-P energy: -32.294 tors. eta vs tors. theta energy: -35.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -398.078928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.078928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.078928 (E_RNA) where: Base-Base interactions energy: -199.795 where: short stacking energy: -84.799 Base-Backbone interact. energy: -1.394 local terms energy: -196.889817 where: bonds (distance) C4'-P energy: -56.036 bonds (distance) P-C4' energy: -58.898 flat angles C4'-P-C4' energy: -42.978 flat angles P-C4'-P energy: -33.689 tors. eta vs tors. theta energy: -5.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -268.165756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.165756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.165756 (E_RNA) where: Base-Base interactions energy: -96.941 where: short stacking energy: -86.688 Base-Backbone interact. energy: 3.547 local terms energy: -174.771679 where: bonds (distance) C4'-P energy: -38.770 bonds (distance) P-C4' energy: -63.344 flat angles C4'-P-C4' energy: -45.827 flat angles P-C4'-P energy: -28.668 tors. eta vs tors. theta energy: 1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1162.665286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.665286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.665286 (E_RNA) where: Base-Base interactions energy: -815.567 where: short stacking energy: -325.016 Base-Backbone interact. energy: -2.711 local terms energy: -344.387592 where: bonds (distance) C4'-P energy: -63.248 bonds (distance) P-C4' energy: -67.297 flat angles C4'-P-C4' energy: -75.355 flat angles P-C4'-P energy: -44.732 tors. eta vs tors. theta energy: -93.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1093.553768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.553768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.553768 (E_RNA) where: Base-Base interactions energy: -753.867 where: short stacking energy: -315.586 Base-Backbone interact. energy: -0.143 local terms energy: -339.543700 where: bonds (distance) C4'-P energy: -61.161 bonds (distance) P-C4' energy: -65.036 flat angles C4'-P-C4' energy: -73.037 flat angles P-C4'-P energy: -46.019 tors. eta vs tors. theta energy: -94.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1051.232748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.232748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.232748 (E_RNA) where: Base-Base interactions energy: -740.018 where: short stacking energy: -294.423 Base-Backbone interact. energy: -1.923 local terms energy: -309.292441 where: bonds (distance) C4'-P energy: -57.297 bonds (distance) P-C4' energy: -60.332 flat angles C4'-P-C4' energy: -68.857 flat angles P-C4'-P energy: -41.221 tors. eta vs tors. theta energy: -81.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -998.050818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.050818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.050818 (E_RNA) where: Base-Base interactions energy: -675.106 where: short stacking energy: -290.441 Base-Backbone interact. energy: -0.805 local terms energy: -322.140518 where: bonds (distance) C4'-P energy: -60.853 bonds (distance) P-C4' energy: -62.895 flat angles C4'-P-C4' energy: -73.224 flat angles P-C4'-P energy: -44.723 tors. eta vs tors. theta energy: -80.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -833.903267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.903267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.903267 (E_RNA) where: Base-Base interactions energy: -556.435 where: short stacking energy: -255.568 Base-Backbone interact. energy: -0.461 local terms energy: -277.007043 where: bonds (distance) C4'-P energy: -42.447 bonds (distance) P-C4' energy: -53.686 flat angles C4'-P-C4' energy: -69.388 flat angles P-C4'-P energy: -49.050 tors. eta vs tors. theta energy: -62.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -890.697255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.697255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.697255 (E_RNA) where: Base-Base interactions energy: -603.089 where: short stacking energy: -269.222 Base-Backbone interact. energy: -0.446 local terms energy: -287.162274 where: bonds (distance) C4'-P energy: -59.957 bonds (distance) P-C4' energy: -54.829 flat angles C4'-P-C4' energy: -63.592 flat angles P-C4'-P energy: -32.776 tors. eta vs tors. theta energy: -76.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -740.972342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.972342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.972342 (E_RNA) where: Base-Base interactions energy: -474.420 where: short stacking energy: -188.495 Base-Backbone interact. energy: -1.752 local terms energy: -264.799811 where: bonds (distance) C4'-P energy: -61.042 bonds (distance) P-C4' energy: -59.774 flat angles C4'-P-C4' energy: -55.434 flat angles P-C4'-P energy: -40.273 tors. eta vs tors. theta energy: -48.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -568.973376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.973376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.973376 (E_RNA) where: Base-Base interactions energy: -356.961 where: short stacking energy: -165.358 Base-Backbone interact. energy: -1.503 local terms energy: -210.509078 where: bonds (distance) C4'-P energy: -46.265 bonds (distance) P-C4' energy: -55.494 flat angles C4'-P-C4' energy: -42.719 flat angles P-C4'-P energy: -43.213 tors. eta vs tors. theta energy: -22.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -444.838663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.838663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.838663 (E_RNA) where: Base-Base interactions energy: -223.335 where: short stacking energy: -127.460 Base-Backbone interact. energy: -0.938 local terms energy: -220.566105 where: bonds (distance) C4'-P energy: -63.950 bonds (distance) P-C4' energy: -67.365 flat angles C4'-P-C4' energy: -41.907 flat angles P-C4'-P energy: -35.553 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -283.623067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.623067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.623067 (E_RNA) where: Base-Base interactions energy: -95.195 where: short stacking energy: -86.060 Base-Backbone interact. energy: -1.765 local terms energy: -186.663760 where: bonds (distance) C4'-P energy: -42.441 bonds (distance) P-C4' energy: -62.352 flat angles C4'-P-C4' energy: -46.070 flat angles P-C4'-P energy: -33.710 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1162.312061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.312061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.312061 (E_RNA) where: Base-Base interactions energy: -803.981 where: short stacking energy: -316.579 Base-Backbone interact. energy: -0.316 local terms energy: -358.015217 where: bonds (distance) C4'-P energy: -70.761 bonds (distance) P-C4' energy: -64.325 flat angles C4'-P-C4' energy: -77.349 flat angles P-C4'-P energy: -52.892 tors. eta vs tors. theta energy: -92.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1101.152675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.152675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.152675 (E_RNA) where: Base-Base interactions energy: -759.735 where: short stacking energy: -310.387 Base-Backbone interact. energy: -2.600 local terms energy: -338.817309 where: bonds (distance) C4'-P energy: -61.330 bonds (distance) P-C4' energy: -69.629 flat angles C4'-P-C4' energy: -74.515 flat angles P-C4'-P energy: -48.937 tors. eta vs tors. theta energy: -84.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1050.354742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.354742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.354742 (E_RNA) where: Base-Base interactions energy: -742.560 where: short stacking energy: -302.485 Base-Backbone interact. energy: 2.258 local terms energy: -310.052071 where: bonds (distance) C4'-P energy: -59.420 bonds (distance) P-C4' energy: -58.209 flat angles C4'-P-C4' energy: -74.700 flat angles P-C4'-P energy: -33.505 tors. eta vs tors. theta energy: -84.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1005.488898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.488898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.488898 (E_RNA) where: Base-Base interactions energy: -692.426 where: short stacking energy: -300.814 Base-Backbone interact. energy: 2.131 local terms energy: -315.193771 where: bonds (distance) C4'-P energy: -53.167 bonds (distance) P-C4' energy: -67.237 flat angles C4'-P-C4' energy: -68.485 flat angles P-C4'-P energy: -37.782 tors. eta vs tors. theta energy: -88.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -919.898927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.898927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.898927 (E_RNA) where: Base-Base interactions energy: -616.121 where: short stacking energy: -245.855 Base-Backbone interact. energy: -1.762 local terms energy: -302.015348 where: bonds (distance) C4'-P energy: -52.680 bonds (distance) P-C4' energy: -54.453 flat angles C4'-P-C4' energy: -64.408 flat angles P-C4'-P energy: -47.906 tors. eta vs tors. theta energy: -82.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -819.337724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.337724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.337724 (E_RNA) where: Base-Base interactions energy: -538.046 where: short stacking energy: -249.828 Base-Backbone interact. energy: -1.186 local terms energy: -280.105893 where: bonds (distance) C4'-P energy: -50.878 bonds (distance) P-C4' energy: -53.115 flat angles C4'-P-C4' energy: -56.552 flat angles P-C4'-P energy: -42.187 tors. eta vs tors. theta energy: -77.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -728.260473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.260473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.260473 (E_RNA) where: Base-Base interactions energy: -489.914 where: short stacking energy: -219.345 Base-Backbone interact. energy: 2.234 local terms energy: -240.580930 where: bonds (distance) C4'-P energy: -44.983 bonds (distance) P-C4' energy: -54.618 flat angles C4'-P-C4' energy: -56.594 flat angles P-C4'-P energy: -35.215 tors. eta vs tors. theta energy: -49.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -603.240744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.240744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.240744 (E_RNA) where: Base-Base interactions energy: -374.566 where: short stacking energy: -181.706 Base-Backbone interact. energy: -1.152 local terms energy: -227.522842 where: bonds (distance) C4'-P energy: -56.257 bonds (distance) P-C4' energy: -55.101 flat angles C4'-P-C4' energy: -37.738 flat angles P-C4'-P energy: -41.864 tors. eta vs tors. theta energy: -36.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -456.609040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.609040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.609040 (E_RNA) where: Base-Base interactions energy: -250.433 where: short stacking energy: -126.715 Base-Backbone interact. energy: -1.272 local terms energy: -204.903954 where: bonds (distance) C4'-P energy: -52.794 bonds (distance) P-C4' energy: -47.291 flat angles C4'-P-C4' energy: -51.486 flat angles P-C4'-P energy: -43.378 tors. eta vs tors. theta energy: -9.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -278.403488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.403488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.403488 (E_RNA) where: Base-Base interactions energy: -124.351 where: short stacking energy: -98.454 Base-Backbone interact. energy: -1.445 local terms energy: -152.607156 where: bonds (distance) C4'-P energy: -46.938 bonds (distance) P-C4' energy: -43.272 flat angles C4'-P-C4' energy: -37.138 flat angles P-C4'-P energy: -29.420 tors. eta vs tors. theta energy: 4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1160.373896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.373896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.373896 (E_RNA) where: Base-Base interactions energy: -817.124 where: short stacking energy: -316.459 Base-Backbone interact. energy: 0.114 local terms energy: -343.364159 where: bonds (distance) C4'-P energy: -68.213 bonds (distance) P-C4' energy: -63.863 flat angles C4'-P-C4' energy: -69.763 flat angles P-C4'-P energy: -49.866 tors. eta vs tors. theta energy: -91.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1090.584127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.584127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.584127 (E_RNA) where: Base-Base interactions energy: -743.981 where: short stacking energy: -299.611 Base-Backbone interact. energy: -0.849 local terms energy: -345.753729 where: bonds (distance) C4'-P energy: -59.091 bonds (distance) P-C4' energy: -70.495 flat angles C4'-P-C4' energy: -73.742 flat angles P-C4'-P energy: -53.041 tors. eta vs tors. theta energy: -89.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1058.653531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.653531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.653531 (E_RNA) where: Base-Base interactions energy: -723.566 where: short stacking energy: -300.419 Base-Backbone interact. energy: -1.055 local terms energy: -334.032251 where: bonds (distance) C4'-P energy: -65.058 bonds (distance) P-C4' energy: -66.172 flat angles C4'-P-C4' energy: -68.660 flat angles P-C4'-P energy: -48.560 tors. eta vs tors. theta energy: -85.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -971.629373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.629373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.629373 (E_RNA) where: Base-Base interactions energy: -660.002 where: short stacking energy: -268.370 Base-Backbone interact. energy: -0.133 local terms energy: -311.494549 where: bonds (distance) C4'-P energy: -61.178 bonds (distance) P-C4' energy: -69.421 flat angles C4'-P-C4' energy: -63.138 flat angles P-C4'-P energy: -42.744 tors. eta vs tors. theta energy: -75.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -951.329748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.329748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.329748 (E_RNA) where: Base-Base interactions energy: -640.731 where: short stacking energy: -280.409 Base-Backbone interact. energy: -2.148 local terms energy: -308.450418 where: bonds (distance) C4'-P energy: -58.822 bonds (distance) P-C4' energy: -65.818 flat angles C4'-P-C4' energy: -59.499 flat angles P-C4'-P energy: -39.915 tors. eta vs tors. theta energy: -84.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -820.909256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.909256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.909256 (E_RNA) where: Base-Base interactions energy: -534.769 where: short stacking energy: -256.751 Base-Backbone interact. energy: -1.024 local terms energy: -285.116159 where: bonds (distance) C4'-P energy: -54.626 bonds (distance) P-C4' energy: -66.232 flat angles C4'-P-C4' energy: -53.576 flat angles P-C4'-P energy: -39.029 tors. eta vs tors. theta energy: -71.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -725.528651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.528651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.528651 (E_RNA) where: Base-Base interactions energy: -472.154 where: short stacking energy: -237.577 Base-Backbone interact. energy: -1.156 local terms energy: -252.218641 where: bonds (distance) C4'-P energy: -51.320 bonds (distance) P-C4' energy: -49.639 flat angles C4'-P-C4' energy: -59.141 flat angles P-C4'-P energy: -33.762 tors. eta vs tors. theta energy: -58.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -478.841361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.841361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.841361 (E_RNA) where: Base-Base interactions energy: -275.816 where: short stacking energy: -155.108 Base-Backbone interact. energy: -0.996 local terms energy: -202.030028 where: bonds (distance) C4'-P energy: -59.373 bonds (distance) P-C4' energy: -57.287 flat angles C4'-P-C4' energy: -54.251 flat angles P-C4'-P energy: -15.130 tors. eta vs tors. theta energy: -15.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -516.857517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.857517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.857517 (E_RNA) where: Base-Base interactions energy: -327.898 where: short stacking energy: -150.779 Base-Backbone interact. energy: -1.821 local terms energy: -187.138983 where: bonds (distance) C4'-P energy: -43.809 bonds (distance) P-C4' energy: -55.632 flat angles C4'-P-C4' energy: -52.515 flat angles P-C4'-P energy: -21.450 tors. eta vs tors. theta energy: -13.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -273.268822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.268822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.268822 (E_RNA) where: Base-Base interactions energy: -112.046 where: short stacking energy: -81.793 Base-Backbone interact. energy: 1.890 local terms energy: -163.112757 where: bonds (distance) C4'-P energy: -42.379 bonds (distance) P-C4' energy: -40.199 flat angles C4'-P-C4' energy: -54.953 flat angles P-C4'-P energy: -33.598 tors. eta vs tors. theta energy: 8.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1161.727357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.727357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.727357 (E_RNA) where: Base-Base interactions energy: -813.599 where: short stacking energy: -323.472 Base-Backbone interact. energy: 0.693 local terms energy: -348.822193 where: bonds (distance) C4'-P energy: -67.864 bonds (distance) P-C4' energy: -66.973 flat angles C4'-P-C4' energy: -77.197 flat angles P-C4'-P energy: -43.981 tors. eta vs tors. theta energy: -92.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1101.263230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.263230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.263230 (E_RNA) where: Base-Base interactions energy: -764.032 where: short stacking energy: -317.755 Base-Backbone interact. energy: -2.631 local terms energy: -334.599798 where: bonds (distance) C4'-P energy: -67.130 bonds (distance) P-C4' energy: -59.646 flat angles C4'-P-C4' energy: -71.012 flat angles P-C4'-P energy: -43.459 tors. eta vs tors. theta energy: -93.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1067.767196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.767196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.767196 (E_RNA) where: Base-Base interactions energy: -767.102 where: short stacking energy: -313.936 Base-Backbone interact. energy: -1.407 local terms energy: -299.257704 where: bonds (distance) C4'-P energy: -48.069 bonds (distance) P-C4' energy: -58.666 flat angles C4'-P-C4' energy: -63.512 flat angles P-C4'-P energy: -41.481 tors. eta vs tors. theta energy: -87.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -949.983307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.983307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.983307 (E_RNA) where: Base-Base interactions energy: -658.480 where: short stacking energy: -252.792 Base-Backbone interact. energy: -1.337 local terms energy: -290.166503 where: bonds (distance) C4'-P energy: -60.656 bonds (distance) P-C4' energy: -54.950 flat angles C4'-P-C4' energy: -62.367 flat angles P-C4'-P energy: -37.884 tors. eta vs tors. theta energy: -74.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -942.064435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.064435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.064435 (E_RNA) where: Base-Base interactions energy: -640.590 where: short stacking energy: -271.493 Base-Backbone interact. energy: 0.173 local terms energy: -301.647597 where: bonds (distance) C4'-P energy: -58.942 bonds (distance) P-C4' energy: -64.144 flat angles C4'-P-C4' energy: -60.061 flat angles P-C4'-P energy: -43.818 tors. eta vs tors. theta energy: -74.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -834.049629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.049629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.049629 (E_RNA) where: Base-Base interactions energy: -547.175 where: short stacking energy: -265.596 Base-Backbone interact. energy: -0.309 local terms energy: -286.565933 where: bonds (distance) C4'-P energy: -48.820 bonds (distance) P-C4' energy: -52.191 flat angles C4'-P-C4' energy: -64.592 flat angles P-C4'-P energy: -42.768 tors. eta vs tors. theta energy: -78.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -730.682790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.682790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.682790 (E_RNA) where: Base-Base interactions energy: -472.759 where: short stacking energy: -223.807 Base-Backbone interact. energy: -1.385 local terms energy: -256.538212 where: bonds (distance) C4'-P energy: -55.249 bonds (distance) P-C4' energy: -54.293 flat angles C4'-P-C4' energy: -54.072 flat angles P-C4'-P energy: -47.577 tors. eta vs tors. theta energy: -45.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -506.792190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.792190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.792190 (E_RNA) where: Base-Base interactions energy: -283.363 where: short stacking energy: -142.701 Base-Backbone interact. energy: -0.349 local terms energy: -223.080828 where: bonds (distance) C4'-P energy: -53.750 bonds (distance) P-C4' energy: -53.814 flat angles C4'-P-C4' energy: -52.889 flat angles P-C4'-P energy: -39.320 tors. eta vs tors. theta energy: -23.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -514.325203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.325203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.325203 (E_RNA) where: Base-Base interactions energy: -313.525 where: short stacking energy: -156.959 Base-Backbone interact. energy: -0.053 local terms energy: -200.747663 where: bonds (distance) C4'-P energy: -65.439 bonds (distance) P-C4' energy: -44.210 flat angles C4'-P-C4' energy: -54.986 flat angles P-C4'-P energy: -19.245 tors. eta vs tors. theta energy: -16.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -286.655838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.655838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.655838 (E_RNA) where: Base-Base interactions energy: -107.171 where: short stacking energy: -84.225 Base-Backbone interact. energy: -0.108 local terms energy: -179.376878 where: bonds (distance) C4'-P energy: -51.763 bonds (distance) P-C4' energy: -51.275 flat angles C4'-P-C4' energy: -56.290 flat angles P-C4'-P energy: -26.426 tors. eta vs tors. theta energy: 6.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1144.221664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.221664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.221664 (E_RNA) where: Base-Base interactions energy: -805.236 where: short stacking energy: -321.459 Base-Backbone interact. energy: -2.217 local terms energy: -336.768072 where: bonds (distance) C4'-P energy: -64.224 bonds (distance) P-C4' energy: -64.934 flat angles C4'-P-C4' energy: -69.321 flat angles P-C4'-P energy: -51.314 tors. eta vs tors. theta energy: -86.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1093.325017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.325017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.325017 (E_RNA) where: Base-Base interactions energy: -763.369 where: short stacking energy: -313.722 Base-Backbone interact. energy: -1.504 local terms energy: -328.451948 where: bonds (distance) C4'-P energy: -61.360 bonds (distance) P-C4' energy: -69.399 flat angles C4'-P-C4' energy: -72.580 flat angles P-C4'-P energy: -43.365 tors. eta vs tors. theta energy: -81.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1075.306461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.306461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.306461 (E_RNA) where: Base-Base interactions energy: -754.455 where: short stacking energy: -303.540 Base-Backbone interact. energy: -1.479 local terms energy: -319.372357 where: bonds (distance) C4'-P energy: -66.854 bonds (distance) P-C4' energy: -62.753 flat angles C4'-P-C4' energy: -68.060 flat angles P-C4'-P energy: -37.338 tors. eta vs tors. theta energy: -84.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -970.034356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.034356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.034356 (E_RNA) where: Base-Base interactions energy: -668.389 where: short stacking energy: -270.284 Base-Backbone interact. energy: -1.072 local terms energy: -300.572712 where: bonds (distance) C4'-P energy: -59.314 bonds (distance) P-C4' energy: -60.720 flat angles C4'-P-C4' energy: -61.316 flat angles P-C4'-P energy: -42.429 tors. eta vs tors. theta energy: -76.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -948.508464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.508464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.508464 (E_RNA) where: Base-Base interactions energy: -631.888 where: short stacking energy: -292.330 Base-Backbone interact. energy: -1.244 local terms energy: -315.376550 where: bonds (distance) C4'-P energy: -61.474 bonds (distance) P-C4' energy: -69.612 flat angles C4'-P-C4' energy: -62.649 flat angles P-C4'-P energy: -35.633 tors. eta vs tors. theta energy: -86.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -818.735189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.735189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.735189 (E_RNA) where: Base-Base interactions energy: -541.069 where: short stacking energy: -257.182 Base-Backbone interact. energy: 5.350 local terms energy: -283.015394 where: bonds (distance) C4'-P energy: -55.368 bonds (distance) P-C4' energy: -39.802 flat angles C4'-P-C4' energy: -71.820 flat angles P-C4'-P energy: -48.110 tors. eta vs tors. theta energy: -67.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -729.873963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.873963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.873963 (E_RNA) where: Base-Base interactions energy: -473.776 where: short stacking energy: -220.206 Base-Backbone interact. energy: -1.479 local terms energy: -254.619141 where: bonds (distance) C4'-P energy: -57.684 bonds (distance) P-C4' energy: -47.148 flat angles C4'-P-C4' energy: -60.074 flat angles P-C4'-P energy: -27.177 tors. eta vs tors. theta energy: -62.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -622.768788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.768788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.768788 (E_RNA) where: Base-Base interactions energy: -388.777 where: short stacking energy: -173.173 Base-Backbone interact. energy: 1.888 local terms energy: -235.879174 where: bonds (distance) C4'-P energy: -59.741 bonds (distance) P-C4' energy: -52.339 flat angles C4'-P-C4' energy: -54.862 flat angles P-C4'-P energy: -30.574 tors. eta vs tors. theta energy: -38.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -498.494977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.494977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.494977 (E_RNA) where: Base-Base interactions energy: -270.675 where: short stacking energy: -133.468 Base-Backbone interact. energy: -1.706 local terms energy: -226.114248 where: bonds (distance) C4'-P energy: -62.420 bonds (distance) P-C4' energy: -60.970 flat angles C4'-P-C4' energy: -50.146 flat angles P-C4'-P energy: -30.702 tors. eta vs tors. theta energy: -21.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -281.167745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.167745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.167745 (E_RNA) where: Base-Base interactions energy: -110.726 where: short stacking energy: -81.141 Base-Backbone interact. energy: 0.007 local terms energy: -170.448420 where: bonds (distance) C4'-P energy: -47.723 bonds (distance) P-C4' energy: -53.830 flat angles C4'-P-C4' energy: -52.454 flat angles P-C4'-P energy: -22.536 tors. eta vs tors. theta energy: 6.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1145.988183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.988183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.988183 (E_RNA) where: Base-Base interactions energy: -801.789 where: short stacking energy: -303.072 Base-Backbone interact. energy: -1.805 local terms energy: -342.394250 where: bonds (distance) C4'-P energy: -61.606 bonds (distance) P-C4' energy: -66.437 flat angles C4'-P-C4' energy: -75.077 flat angles P-C4'-P energy: -50.188 tors. eta vs tors. theta energy: -89.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1094.696104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.696104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.696104 (E_RNA) where: Base-Base interactions energy: -777.978 where: short stacking energy: -325.012 Base-Backbone interact. energy: -3.022 local terms energy: -313.695141 where: bonds (distance) C4'-P energy: -57.041 bonds (distance) P-C4' energy: -60.274 flat angles C4'-P-C4' energy: -68.557 flat angles P-C4'-P energy: -43.309 tors. eta vs tors. theta energy: -84.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1061.767244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.767244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.767244 (E_RNA) where: Base-Base interactions energy: -726.862 where: short stacking energy: -293.625 Base-Backbone interact. energy: -1.102 local terms energy: -333.803104 where: bonds (distance) C4'-P energy: -64.913 bonds (distance) P-C4' energy: -66.850 flat angles C4'-P-C4' energy: -73.754 flat angles P-C4'-P energy: -36.837 tors. eta vs tors. theta energy: -91.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -966.972910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.972910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.972910 (E_RNA) where: Base-Base interactions energy: -672.059 where: short stacking energy: -272.448 Base-Backbone interact. energy: 0.193 local terms energy: -295.107000 where: bonds (distance) C4'-P energy: -55.277 bonds (distance) P-C4' energy: -57.620 flat angles C4'-P-C4' energy: -59.448 flat angles P-C4'-P energy: -40.609 tors. eta vs tors. theta energy: -82.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -934.509057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.509057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.509057 (E_RNA) where: Base-Base interactions energy: -622.654 where: short stacking energy: -286.255 Base-Backbone interact. energy: -0.486 local terms energy: -311.368731 where: bonds (distance) C4'-P energy: -55.346 bonds (distance) P-C4' energy: -57.686 flat angles C4'-P-C4' energy: -71.218 flat angles P-C4'-P energy: -52.324 tors. eta vs tors. theta energy: -74.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -819.699537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.699537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.699537 (E_RNA) where: Base-Base interactions energy: -517.407 where: short stacking energy: -246.207 Base-Backbone interact. energy: -0.669 local terms energy: -301.623348 where: bonds (distance) C4'-P energy: -57.609 bonds (distance) P-C4' energy: -68.291 flat angles C4'-P-C4' energy: -56.125 flat angles P-C4'-P energy: -46.603 tors. eta vs tors. theta energy: -72.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -735.441221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.441221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.441221 (E_RNA) where: Base-Base interactions energy: -470.253 where: short stacking energy: -228.133 Base-Backbone interact. energy: -0.135 local terms energy: -265.053555 where: bonds (distance) C4'-P energy: -44.010 bonds (distance) P-C4' energy: -60.164 flat angles C4'-P-C4' energy: -61.893 flat angles P-C4'-P energy: -46.467 tors. eta vs tors. theta energy: -52.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -623.155598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.155598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.155598 (E_RNA) where: Base-Base interactions energy: -368.932 where: short stacking energy: -159.874 Base-Backbone interact. energy: -0.627 local terms energy: -253.596796 where: bonds (distance) C4'-P energy: -54.404 bonds (distance) P-C4' energy: -52.720 flat angles C4'-P-C4' energy: -59.988 flat angles P-C4'-P energy: -41.209 tors. eta vs tors. theta energy: -45.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -461.860985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.860985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.860985 (E_RNA) where: Base-Base interactions energy: -237.097 where: short stacking energy: -124.521 Base-Backbone interact. energy: -1.376 local terms energy: -223.387511 where: bonds (distance) C4'-P energy: -51.885 bonds (distance) P-C4' energy: -69.525 flat angles C4'-P-C4' energy: -56.425 flat angles P-C4'-P energy: -26.686 tors. eta vs tors. theta energy: -18.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -286.814647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.814647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.814647 (E_RNA) where: Base-Base interactions energy: -106.866 where: short stacking energy: -88.742 Base-Backbone interact. energy: 0.754 local terms energy: -180.703080 where: bonds (distance) C4'-P energy: -48.588 bonds (distance) P-C4' energy: -58.796 flat angles C4'-P-C4' energy: -49.770 flat angles P-C4'-P energy: -23.077 tors. eta vs tors. theta energy: -0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1169.597104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.597104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.597104 (E_RNA) where: Base-Base interactions energy: -834.509 where: short stacking energy: -329.922 Base-Backbone interact. energy: 0.790 local terms energy: -335.877849 where: bonds (distance) C4'-P energy: -61.336 bonds (distance) P-C4' energy: -68.090 flat angles C4'-P-C4' energy: -76.314 flat angles P-C4'-P energy: -48.100 tors. eta vs tors. theta energy: -82.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1077.522239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.522239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.522239 (E_RNA) where: Base-Base interactions energy: -735.243 where: short stacking energy: -302.434 Base-Backbone interact. energy: -0.451 local terms energy: -341.828213 where: bonds (distance) C4'-P energy: -55.360 bonds (distance) P-C4' energy: -67.861 flat angles C4'-P-C4' energy: -76.557 flat angles P-C4'-P energy: -54.118 tors. eta vs tors. theta energy: -87.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1077.133140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.133140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.133140 (E_RNA) where: Base-Base interactions energy: -754.773 where: short stacking energy: -304.347 Base-Backbone interact. energy: 3.482 local terms energy: -325.841728 where: bonds (distance) C4'-P energy: -59.892 bonds (distance) P-C4' energy: -60.958 flat angles C4'-P-C4' energy: -77.403 flat angles P-C4'-P energy: -44.048 tors. eta vs tors. theta energy: -83.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -966.672068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.672068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.672068 (E_RNA) where: Base-Base interactions energy: -664.441 where: short stacking energy: -285.522 Base-Backbone interact. energy: -1.400 local terms energy: -300.830414 where: bonds (distance) C4'-P energy: -53.749 bonds (distance) P-C4' energy: -54.700 flat angles C4'-P-C4' energy: -64.823 flat angles P-C4'-P energy: -41.882 tors. eta vs tors. theta energy: -85.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -908.307603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.307603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.307603 (E_RNA) where: Base-Base interactions energy: -612.468 where: short stacking energy: -266.223 Base-Backbone interact. energy: 1.365 local terms energy: -297.204166 where: bonds (distance) C4'-P energy: -57.258 bonds (distance) P-C4' energy: -55.311 flat angles C4'-P-C4' energy: -69.608 flat angles P-C4'-P energy: -44.398 tors. eta vs tors. theta energy: -70.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -814.482732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.482732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.482732 (E_RNA) where: Base-Base interactions energy: -509.455 where: short stacking energy: -235.847 Base-Backbone interact. energy: -0.988 local terms energy: -304.040044 where: bonds (distance) C4'-P energy: -58.407 bonds (distance) P-C4' energy: -64.188 flat angles C4'-P-C4' energy: -60.965 flat angles P-C4'-P energy: -49.715 tors. eta vs tors. theta energy: -70.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -720.657183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.657183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.657183 (E_RNA) where: Base-Base interactions energy: -481.721 where: short stacking energy: -204.993 Base-Backbone interact. energy: -2.162 local terms energy: -236.773650 where: bonds (distance) C4'-P energy: -48.427 bonds (distance) P-C4' energy: -55.390 flat angles C4'-P-C4' energy: -52.436 flat angles P-C4'-P energy: -38.211 tors. eta vs tors. theta energy: -42.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -608.445411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.445411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.445411 (E_RNA) where: Base-Base interactions energy: -363.453 where: short stacking energy: -172.162 Base-Backbone interact. energy: -0.899 local terms energy: -244.093788 where: bonds (distance) C4'-P energy: -59.959 bonds (distance) P-C4' energy: -49.810 flat angles C4'-P-C4' energy: -60.406 flat angles P-C4'-P energy: -45.048 tors. eta vs tors. theta energy: -28.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -473.280676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.280676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.280676 (E_RNA) where: Base-Base interactions energy: -237.313 where: short stacking energy: -144.366 Base-Backbone interact. energy: -0.971 local terms energy: -234.996287 where: bonds (distance) C4'-P energy: -47.434 bonds (distance) P-C4' energy: -61.378 flat angles C4'-P-C4' energy: -60.395 flat angles P-C4'-P energy: -41.585 tors. eta vs tors. theta energy: -24.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -264.552293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.552293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.552293 (E_RNA) where: Base-Base interactions energy: -114.832 where: short stacking energy: -73.158 Base-Backbone interact. energy: 0.603 local terms energy: -150.323579 where: bonds (distance) C4'-P energy: -48.630 bonds (distance) P-C4' energy: -46.184 flat angles C4'-P-C4' energy: -36.386 flat angles P-C4'-P energy: -19.876 tors. eta vs tors. theta energy: 0.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1155.701796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.701796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.701796 (E_RNA) where: Base-Base interactions energy: -805.935 where: short stacking energy: -314.893 Base-Backbone interact. energy: -2.316 local terms energy: -347.451207 where: bonds (distance) C4'-P energy: -65.893 bonds (distance) P-C4' energy: -73.458 flat angles C4'-P-C4' energy: -73.439 flat angles P-C4'-P energy: -48.190 tors. eta vs tors. theta energy: -86.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1084.270284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.270284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.270284 (E_RNA) where: Base-Base interactions energy: -757.149 where: short stacking energy: -307.976 Base-Backbone interact. energy: -1.806 local terms energy: -325.315445 where: bonds (distance) C4'-P energy: -67.310 bonds (distance) P-C4' energy: -59.309 flat angles C4'-P-C4' energy: -72.420 flat angles P-C4'-P energy: -42.877 tors. eta vs tors. theta energy: -83.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1080.587007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.587007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.587007 (E_RNA) where: Base-Base interactions energy: -749.611 where: short stacking energy: -309.588 Base-Backbone interact. energy: -0.606 local terms energy: -330.370574 where: bonds (distance) C4'-P energy: -68.565 bonds (distance) P-C4' energy: -63.272 flat angles C4'-P-C4' energy: -73.745 flat angles P-C4'-P energy: -35.820 tors. eta vs tors. theta energy: -88.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -962.506250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.506250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.506250 (E_RNA) where: Base-Base interactions energy: -652.161 where: short stacking energy: -287.070 Base-Backbone interact. energy: -0.793 local terms energy: -309.552227 where: bonds (distance) C4'-P energy: -49.907 bonds (distance) P-C4' energy: -58.833 flat angles C4'-P-C4' energy: -61.045 flat angles P-C4'-P energy: -51.673 tors. eta vs tors. theta energy: -88.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -914.714361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.714361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.714361 (E_RNA) where: Base-Base interactions energy: -609.547 where: short stacking energy: -273.815 Base-Backbone interact. energy: 2.271 local terms energy: -307.437443 where: bonds (distance) C4'-P energy: -52.844 bonds (distance) P-C4' energy: -56.916 flat angles C4'-P-C4' energy: -70.079 flat angles P-C4'-P energy: -41.959 tors. eta vs tors. theta energy: -85.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -806.127254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.127254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.127254 (E_RNA) where: Base-Base interactions energy: -520.649 where: short stacking energy: -225.035 Base-Backbone interact. energy: 0.343 local terms energy: -285.820796 where: bonds (distance) C4'-P energy: -62.499 bonds (distance) P-C4' energy: -56.511 flat angles C4'-P-C4' energy: -62.971 flat angles P-C4'-P energy: -42.598 tors. eta vs tors. theta energy: -61.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -758.725636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.725636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.725636 (E_RNA) where: Base-Base interactions energy: -485.417 where: short stacking energy: -230.252 Base-Backbone interact. energy: 0.224 local terms energy: -273.532851 where: bonds (distance) C4'-P energy: -57.548 bonds (distance) P-C4' energy: -57.097 flat angles C4'-P-C4' energy: -48.813 flat angles P-C4'-P energy: -41.103 tors. eta vs tors. theta energy: -68.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -578.152870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.152870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.152870 (E_RNA) where: Base-Base interactions energy: -359.135 where: short stacking energy: -144.108 Base-Backbone interact. energy: -1.362 local terms energy: -217.655333 where: bonds (distance) C4'-P energy: -50.963 bonds (distance) P-C4' energy: -54.675 flat angles C4'-P-C4' energy: -52.558 flat angles P-C4'-P energy: -34.525 tors. eta vs tors. theta energy: -24.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -430.850643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.850643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.850643 (E_RNA) where: Base-Base interactions energy: -220.829 where: short stacking energy: -132.467 Base-Backbone interact. energy: 0.637 local terms energy: -210.658674 where: bonds (distance) C4'-P energy: -51.471 bonds (distance) P-C4' energy: -52.875 flat angles C4'-P-C4' energy: -48.530 flat angles P-C4'-P energy: -38.537 tors. eta vs tors. theta energy: -19.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -270.221673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.221673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.221673 (E_RNA) where: Base-Base interactions energy: -100.280 where: short stacking energy: -76.914 Base-Backbone interact. energy: 0.121 local terms energy: -170.061872 where: bonds (distance) C4'-P energy: -58.062 bonds (distance) P-C4' energy: -53.520 flat angles C4'-P-C4' energy: -50.475 flat angles P-C4'-P energy: -9.429 tors. eta vs tors. theta energy: 1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1155.502173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.502173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.502173 (E_RNA) where: Base-Base interactions energy: -813.223 where: short stacking energy: -323.597 Base-Backbone interact. energy: -1.864 local terms energy: -340.415362 where: bonds (distance) C4'-P energy: -64.705 bonds (distance) P-C4' energy: -58.385 flat angles C4'-P-C4' energy: -77.849 flat angles P-C4'-P energy: -47.714 tors. eta vs tors. theta energy: -91.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1111.113082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.113082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.113082 (E_RNA) where: Base-Base interactions energy: -768.181 where: short stacking energy: -327.068 Base-Backbone interact. energy: -0.021 local terms energy: -342.911470 where: bonds (distance) C4'-P energy: -65.826 bonds (distance) P-C4' energy: -66.477 flat angles C4'-P-C4' energy: -72.441 flat angles P-C4'-P energy: -47.742 tors. eta vs tors. theta energy: -90.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1066.346710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.346710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.346710 (E_RNA) where: Base-Base interactions energy: -744.959 where: short stacking energy: -303.881 Base-Backbone interact. energy: -0.815 local terms energy: -320.572144 where: bonds (distance) C4'-P energy: -62.196 bonds (distance) P-C4' energy: -67.714 flat angles C4'-P-C4' energy: -57.919 flat angles P-C4'-P energy: -44.739 tors. eta vs tors. theta energy: -88.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -962.822751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.822751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.822751 (E_RNA) where: Base-Base interactions energy: -658.304 where: short stacking energy: -276.419 Base-Backbone interact. energy: -2.617 local terms energy: -301.901731 where: bonds (distance) C4'-P energy: -55.809 bonds (distance) P-C4' energy: -64.839 flat angles C4'-P-C4' energy: -64.911 flat angles P-C4'-P energy: -38.900 tors. eta vs tors. theta energy: -77.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -916.192890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.192890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.192890 (E_RNA) where: Base-Base interactions energy: -617.350 where: short stacking energy: -266.213 Base-Backbone interact. energy: -0.605 local terms energy: -298.238309 where: bonds (distance) C4'-P energy: -52.731 bonds (distance) P-C4' energy: -66.426 flat angles C4'-P-C4' energy: -68.112 flat angles P-C4'-P energy: -32.679 tors. eta vs tors. theta energy: -78.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -810.863101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.863101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.863101 (E_RNA) where: Base-Base interactions energy: -527.020 where: short stacking energy: -240.542 Base-Backbone interact. energy: -1.531 local terms energy: -282.312203 where: bonds (distance) C4'-P energy: -51.674 bonds (distance) P-C4' energy: -63.661 flat angles C4'-P-C4' energy: -67.504 flat angles P-C4'-P energy: -43.687 tors. eta vs tors. theta energy: -55.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -734.292539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.292539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.292539 (E_RNA) where: Base-Base interactions energy: -468.333 where: short stacking energy: -218.522 Base-Backbone interact. energy: -4.472 local terms energy: -261.487342 where: bonds (distance) C4'-P energy: -50.510 bonds (distance) P-C4' energy: -49.876 flat angles C4'-P-C4' energy: -66.186 flat angles P-C4'-P energy: -30.143 tors. eta vs tors. theta energy: -64.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -554.511161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.511161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.511161 (E_RNA) where: Base-Base interactions energy: -317.795 where: short stacking energy: -165.731 Base-Backbone interact. energy: -2.210 local terms energy: -234.505785 where: bonds (distance) C4'-P energy: -60.702 bonds (distance) P-C4' energy: -61.079 flat angles C4'-P-C4' energy: -56.466 flat angles P-C4'-P energy: -32.847 tors. eta vs tors. theta energy: -23.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -421.928095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.928095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.928095 (E_RNA) where: Base-Base interactions energy: -218.488 where: short stacking energy: -135.730 Base-Backbone interact. energy: -2.361 local terms energy: -201.079348 where: bonds (distance) C4'-P energy: -52.682 bonds (distance) P-C4' energy: -60.563 flat angles C4'-P-C4' energy: -52.523 flat angles P-C4'-P energy: -19.176 tors. eta vs tors. theta energy: -16.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -270.221693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.221693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.221693 (E_RNA) where: Base-Base interactions energy: -111.815 where: short stacking energy: -78.338 Base-Backbone interact. energy: -1.047 local terms energy: -157.360128 where: bonds (distance) C4'-P energy: -49.081 bonds (distance) P-C4' energy: -50.052 flat angles C4'-P-C4' energy: -45.781 flat angles P-C4'-P energy: -24.318 tors. eta vs tors. theta energy: 11.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1155.097036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.097036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.097036 (E_RNA) where: Base-Base interactions energy: -821.461 where: short stacking energy: -309.579 Base-Backbone interact. energy: -0.470 local terms energy: -333.166407 where: bonds (distance) C4'-P energy: -66.029 bonds (distance) P-C4' energy: -59.586 flat angles C4'-P-C4' energy: -69.714 flat angles P-C4'-P energy: -49.398 tors. eta vs tors. theta energy: -88.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1096.481374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.481374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.481374 (E_RNA) where: Base-Base interactions energy: -749.493 where: short stacking energy: -306.330 Base-Backbone interact. energy: -2.182 local terms energy: -344.805648 where: bonds (distance) C4'-P energy: -73.243 bonds (distance) P-C4' energy: -56.573 flat angles C4'-P-C4' energy: -72.357 flat angles P-C4'-P energy: -54.126 tors. eta vs tors. theta energy: -88.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1051.626850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.626850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.626850 (E_RNA) where: Base-Base interactions energy: -734.100 where: short stacking energy: -295.049 Base-Backbone interact. energy: 0.727 local terms energy: -318.253139 where: bonds (distance) C4'-P energy: -57.046 bonds (distance) P-C4' energy: -66.421 flat angles C4'-P-C4' energy: -68.066 flat angles P-C4'-P energy: -47.333 tors. eta vs tors. theta energy: -79.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -949.940785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.940785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.940785 (E_RNA) where: Base-Base interactions energy: -651.240 where: short stacking energy: -256.320 Base-Backbone interact. energy: -2.066 local terms energy: -296.634537 where: bonds (distance) C4'-P energy: -50.124 bonds (distance) P-C4' energy: -59.663 flat angles C4'-P-C4' energy: -66.259 flat angles P-C4'-P energy: -46.589 tors. eta vs tors. theta energy: -73.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -877.618562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.618562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.618562 (E_RNA) where: Base-Base interactions energy: -584.664 where: short stacking energy: -246.264 Base-Backbone interact. energy: 0.078 local terms energy: -293.032442 where: bonds (distance) C4'-P energy: -52.558 bonds (distance) P-C4' energy: -55.556 flat angles C4'-P-C4' energy: -60.842 flat angles P-C4'-P energy: -47.846 tors. eta vs tors. theta energy: -76.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -793.641093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.641093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.641093 (E_RNA) where: Base-Base interactions energy: -511.095 where: short stacking energy: -241.151 Base-Backbone interact. energy: -0.850 local terms energy: -281.696408 where: bonds (distance) C4'-P energy: -62.800 bonds (distance) P-C4' energy: -52.747 flat angles C4'-P-C4' energy: -72.179 flat angles P-C4'-P energy: -33.992 tors. eta vs tors. theta energy: -59.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -718.685968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.685968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.685968 (E_RNA) where: Base-Base interactions energy: -476.023 where: short stacking energy: -218.406 Base-Backbone interact. energy: -1.312 local terms energy: -241.350939 where: bonds (distance) C4'-P energy: -52.892 bonds (distance) P-C4' energy: -61.148 flat angles C4'-P-C4' energy: -53.065 flat angles P-C4'-P energy: -26.121 tors. eta vs tors. theta energy: -48.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -513.826751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.826751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.826751 (E_RNA) where: Base-Base interactions energy: -338.434 where: short stacking energy: -162.039 Base-Backbone interact. energy: 1.843 local terms energy: -177.235349 where: bonds (distance) C4'-P energy: -39.304 bonds (distance) P-C4' energy: -43.626 flat angles C4'-P-C4' energy: -44.082 flat angles P-C4'-P energy: -34.961 tors. eta vs tors. theta energy: -15.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -449.310961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.310961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.310961 (E_RNA) where: Base-Base interactions energy: -227.945 where: short stacking energy: -122.895 Base-Backbone interact. energy: -1.119 local terms energy: -220.247551 where: bonds (distance) C4'-P energy: -53.927 bonds (distance) P-C4' energy: -45.523 flat angles C4'-P-C4' energy: -62.966 flat angles P-C4'-P energy: -40.819 tors. eta vs tors. theta energy: -17.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -273.240281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.240281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.240281 (E_RNA) where: Base-Base interactions energy: -105.419 where: short stacking energy: -100.364 Base-Backbone interact. energy: -1.075 local terms energy: -166.746214 where: bonds (distance) C4'-P energy: -54.504 bonds (distance) P-C4' energy: -62.357 flat angles C4'-P-C4' energy: -33.204 flat angles P-C4'-P energy: -22.504 tors. eta vs tors. theta energy: 5.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1159.945528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.945528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.945528 (E_RNA) where: Base-Base interactions energy: -825.751 where: short stacking energy: -310.864 Base-Backbone interact. energy: -0.239 local terms energy: -333.956182 where: bonds (distance) C4'-P energy: -68.412 bonds (distance) P-C4' energy: -62.039 flat angles C4'-P-C4' energy: -67.228 flat angles P-C4'-P energy: -52.997 tors. eta vs tors. theta energy: -83.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1077.587933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.587933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.587933 (E_RNA) where: Base-Base interactions energy: -758.527 where: short stacking energy: -321.525 Base-Backbone interact. energy: 0.218 local terms energy: -319.278781 where: bonds (distance) C4'-P energy: -59.340 bonds (distance) P-C4' energy: -63.188 flat angles C4'-P-C4' energy: -59.610 flat angles P-C4'-P energy: -49.261 tors. eta vs tors. theta energy: -87.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1025.861439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.861439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.861439 (E_RNA) where: Base-Base interactions energy: -703.665 where: short stacking energy: -304.362 Base-Backbone interact. energy: -2.895 local terms energy: -319.300580 where: bonds (distance) C4'-P energy: -53.636 bonds (distance) P-C4' energy: -63.689 flat angles C4'-P-C4' energy: -69.906 flat angles P-C4'-P energy: -46.150 tors. eta vs tors. theta energy: -85.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -972.360971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.360971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.360971 (E_RNA) where: Base-Base interactions energy: -649.807 where: short stacking energy: -260.939 Base-Backbone interact. energy: -4.289 local terms energy: -318.265467 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -65.695 flat angles C4'-P-C4' energy: -61.573 flat angles P-C4'-P energy: -46.922 tors. eta vs tors. theta energy: -79.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -885.329896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.329896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.329896 (E_RNA) where: Base-Base interactions energy: -589.092 where: short stacking energy: -259.001 Base-Backbone interact. energy: -0.455 local terms energy: -295.783460 where: bonds (distance) C4'-P energy: -62.748 bonds (distance) P-C4' energy: -57.060 flat angles C4'-P-C4' energy: -64.650 flat angles P-C4'-P energy: -43.175 tors. eta vs tors. theta energy: -68.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -815.977816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.977816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.977816 (E_RNA) where: Base-Base interactions energy: -524.679 where: short stacking energy: -251.226 Base-Backbone interact. energy: -0.002 local terms energy: -291.297024 where: bonds (distance) C4'-P energy: -53.970 bonds (distance) P-C4' energy: -57.102 flat angles C4'-P-C4' energy: -63.583 flat angles P-C4'-P energy: -45.267 tors. eta vs tors. theta energy: -71.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -729.959934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.959934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.959934 (E_RNA) where: Base-Base interactions energy: -479.045 where: short stacking energy: -215.340 Base-Backbone interact. energy: -3.893 local terms energy: -247.022018 where: bonds (distance) C4'-P energy: -58.313 bonds (distance) P-C4' energy: -60.903 flat angles C4'-P-C4' energy: -58.881 flat angles P-C4'-P energy: -30.247 tors. eta vs tors. theta energy: -38.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -506.278884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.278884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.278884 (E_RNA) where: Base-Base interactions energy: -290.338 where: short stacking energy: -148.831 Base-Backbone interact. energy: -0.215 local terms energy: -215.725389 where: bonds (distance) C4'-P energy: -58.769 bonds (distance) P-C4' energy: -57.859 flat angles C4'-P-C4' energy: -44.865 flat angles P-C4'-P energy: -29.757 tors. eta vs tors. theta energy: -24.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -442.441297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.441297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.441297 (E_RNA) where: Base-Base interactions energy: -236.617 where: short stacking energy: -136.723 Base-Backbone interact. energy: -1.282 local terms energy: -204.542685 where: bonds (distance) C4'-P energy: -49.503 bonds (distance) P-C4' energy: -61.785 flat angles C4'-P-C4' energy: -50.774 flat angles P-C4'-P energy: -25.946 tors. eta vs tors. theta energy: -16.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -336.527948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.527948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.527948 (E_RNA) where: Base-Base interactions energy: -139.988 where: short stacking energy: -88.420 Base-Backbone interact. energy: -0.658 local terms energy: -195.882181 where: bonds (distance) C4'-P energy: -57.340 bonds (distance) P-C4' energy: -55.763 flat angles C4'-P-C4' energy: -48.839 flat angles P-C4'-P energy: -28.792 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1157.428205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.428205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.428205 (E_RNA) where: Base-Base interactions energy: -819.340 where: short stacking energy: -310.753 Base-Backbone interact. energy: -5.560 local terms energy: -332.527785 where: bonds (distance) C4'-P energy: -65.618 bonds (distance) P-C4' energy: -72.305 flat angles C4'-P-C4' energy: -63.226 flat angles P-C4'-P energy: -42.535 tors. eta vs tors. theta energy: -88.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1116.757358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.757358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.757358 (E_RNA) where: Base-Base interactions energy: -780.238 where: short stacking energy: -318.996 Base-Backbone interact. energy: -1.709 local terms energy: -334.810896 where: bonds (distance) C4'-P energy: -63.624 bonds (distance) P-C4' energy: -67.692 flat angles C4'-P-C4' energy: -70.446 flat angles P-C4'-P energy: -40.470 tors. eta vs tors. theta energy: -92.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1046.887740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.887740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.887740 (E_RNA) where: Base-Base interactions energy: -722.465 where: short stacking energy: -299.765 Base-Backbone interact. energy: -0.369 local terms energy: -324.053270 where: bonds (distance) C4'-P energy: -67.092 bonds (distance) P-C4' energy: -62.012 flat angles C4'-P-C4' energy: -63.901 flat angles P-C4'-P energy: -44.652 tors. eta vs tors. theta energy: -86.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -957.036419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.036419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.036419 (E_RNA) where: Base-Base interactions energy: -641.849 where: short stacking energy: -270.100 Base-Backbone interact. energy: -1.929 local terms energy: -313.258332 where: bonds (distance) C4'-P energy: -64.624 bonds (distance) P-C4' energy: -65.684 flat angles C4'-P-C4' energy: -65.103 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -76.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -919.874328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.874328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.874328 (E_RNA) where: Base-Base interactions energy: -619.205 where: short stacking energy: -291.501 Base-Backbone interact. energy: -0.969 local terms energy: -299.700285 where: bonds (distance) C4'-P energy: -55.383 bonds (distance) P-C4' energy: -58.775 flat angles C4'-P-C4' energy: -68.111 flat angles P-C4'-P energy: -39.369 tors. eta vs tors. theta energy: -78.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -824.006363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.006363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.006363 (E_RNA) where: Base-Base interactions energy: -531.595 where: short stacking energy: -257.670 Base-Backbone interact. energy: 1.804 local terms energy: -294.215824 where: bonds (distance) C4'-P energy: -48.161 bonds (distance) P-C4' energy: -62.196 flat angles C4'-P-C4' energy: -65.759 flat angles P-C4'-P energy: -46.675 tors. eta vs tors. theta energy: -71.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -703.053481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.053481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.053481 (E_RNA) where: Base-Base interactions energy: -465.850 where: short stacking energy: -190.447 Base-Backbone interact. energy: -1.983 local terms energy: -235.220151 where: bonds (distance) C4'-P energy: -45.155 bonds (distance) P-C4' energy: -62.603 flat angles C4'-P-C4' energy: -57.456 flat angles P-C4'-P energy: -29.557 tors. eta vs tors. theta energy: -40.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -537.534388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.534388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.534388 (E_RNA) where: Base-Base interactions energy: -305.055 where: short stacking energy: -147.349 Base-Backbone interact. energy: -1.276 local terms energy: -231.204083 where: bonds (distance) C4'-P energy: -56.762 bonds (distance) P-C4' energy: -56.191 flat angles C4'-P-C4' energy: -51.425 flat angles P-C4'-P energy: -40.038 tors. eta vs tors. theta energy: -26.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -398.911885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.911885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.911885 (E_RNA) where: Base-Base interactions energy: -204.085 where: short stacking energy: -120.910 Base-Backbone interact. energy: -1.112 local terms energy: -193.715442 where: bonds (distance) C4'-P energy: -53.708 bonds (distance) P-C4' energy: -62.659 flat angles C4'-P-C4' energy: -45.439 flat angles P-C4'-P energy: -22.544 tors. eta vs tors. theta energy: -9.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -332.524002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.524002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.524002 (E_RNA) where: Base-Base interactions energy: -164.280 where: short stacking energy: -98.729 Base-Backbone interact. energy: -0.885 local terms energy: -167.358705 where: bonds (distance) C4'-P energy: -49.332 bonds (distance) P-C4' energy: -63.469 flat angles C4'-P-C4' energy: -30.682 flat angles P-C4'-P energy: -28.750 tors. eta vs tors. theta energy: 4.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1163.737977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.737977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.737977 (E_RNA) where: Base-Base interactions energy: -833.905 where: short stacking energy: -322.191 Base-Backbone interact. energy: -3.096 local terms energy: -326.737699 where: bonds (distance) C4'-P energy: -71.697 bonds (distance) P-C4' energy: -53.774 flat angles C4'-P-C4' energy: -71.769 flat angles P-C4'-P energy: -46.588 tors. eta vs tors. theta energy: -82.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1096.859184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.859184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.859184 (E_RNA) where: Base-Base interactions energy: -747.804 where: short stacking energy: -314.078 Base-Backbone interact. energy: -2.343 local terms energy: -346.712276 where: bonds (distance) C4'-P energy: -63.303 bonds (distance) P-C4' energy: -68.621 flat angles C4'-P-C4' energy: -68.922 flat angles P-C4'-P energy: -57.905 tors. eta vs tors. theta energy: -87.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1072.488131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.488131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.488131 (E_RNA) where: Base-Base interactions energy: -740.037 where: short stacking energy: -293.295 Base-Backbone interact. energy: -1.939 local terms energy: -330.512116 where: bonds (distance) C4'-P energy: -68.310 bonds (distance) P-C4' energy: -63.104 flat angles C4'-P-C4' energy: -65.799 flat angles P-C4'-P energy: -46.660 tors. eta vs tors. theta energy: -86.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -960.357060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.357060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.357060 (E_RNA) where: Base-Base interactions energy: -656.707 where: short stacking energy: -272.070 Base-Backbone interact. energy: -2.785 local terms energy: -300.864492 where: bonds (distance) C4'-P energy: -67.553 bonds (distance) P-C4' energy: -54.457 flat angles C4'-P-C4' energy: -67.001 flat angles P-C4'-P energy: -36.936 tors. eta vs tors. theta energy: -74.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -911.432513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.432513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.432513 (E_RNA) where: Base-Base interactions energy: -596.544 where: short stacking energy: -256.377 Base-Backbone interact. energy: -0.934 local terms energy: -313.954242 where: bonds (distance) C4'-P energy: -49.297 bonds (distance) P-C4' energy: -61.320 flat angles C4'-P-C4' energy: -71.931 flat angles P-C4'-P energy: -42.379 tors. eta vs tors. theta energy: -89.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -841.686065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.686065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.686065 (E_RNA) where: Base-Base interactions energy: -548.757 where: short stacking energy: -253.838 Base-Backbone interact. energy: -0.192 local terms energy: -292.736875 where: bonds (distance) C4'-P energy: -63.969 bonds (distance) P-C4' energy: -41.006 flat angles C4'-P-C4' energy: -73.753 flat angles P-C4'-P energy: -46.445 tors. eta vs tors. theta energy: -67.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -710.749545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.749545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.749545 (E_RNA) where: Base-Base interactions energy: -471.021 where: short stacking energy: -208.896 Base-Backbone interact. energy: 3.744 local terms energy: -243.472896 where: bonds (distance) C4'-P energy: -59.300 bonds (distance) P-C4' energy: -58.525 flat angles C4'-P-C4' energy: -46.192 flat angles P-C4'-P energy: -35.649 tors. eta vs tors. theta energy: -43.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -556.194225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.194225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.194225 (E_RNA) where: Base-Base interactions energy: -328.083 where: short stacking energy: -156.971 Base-Backbone interact. energy: 0.759 local terms energy: -228.870502 where: bonds (distance) C4'-P energy: -44.335 bonds (distance) P-C4' energy: -55.947 flat angles C4'-P-C4' energy: -58.306 flat angles P-C4'-P energy: -39.817 tors. eta vs tors. theta energy: -30.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -417.877374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.877374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.877374 (E_RNA) where: Base-Base interactions energy: -215.035 where: short stacking energy: -115.261 Base-Backbone interact. energy: -1.089 local terms energy: -201.753398 where: bonds (distance) C4'-P energy: -54.468 bonds (distance) P-C4' energy: -53.024 flat angles C4'-P-C4' energy: -44.254 flat angles P-C4'-P energy: -34.187 tors. eta vs tors. theta energy: -15.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -322.144874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.144874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.144874 (E_RNA) where: Base-Base interactions energy: -147.351 where: short stacking energy: -85.217 Base-Backbone interact. energy: 0.505 local terms energy: -175.298471 where: bonds (distance) C4'-P energy: -61.482 bonds (distance) P-C4' energy: -54.424 flat angles C4'-P-C4' energy: -42.611 flat angles P-C4'-P energy: -32.336 tors. eta vs tors. theta energy: 15.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1178.507307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.507307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.507307 (E_RNA) where: Base-Base interactions energy: -831.788 where: short stacking energy: -315.347 Base-Backbone interact. energy: -1.975 local terms energy: -344.744579 where: bonds (distance) C4'-P energy: -71.670 bonds (distance) P-C4' energy: -65.892 flat angles C4'-P-C4' energy: -72.636 flat angles P-C4'-P energy: -48.882 tors. eta vs tors. theta energy: -85.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1096.297573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.297573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.297573 (E_RNA) where: Base-Base interactions energy: -769.745 where: short stacking energy: -307.366 Base-Backbone interact. energy: -2.478 local terms energy: -324.074562 where: bonds (distance) C4'-P energy: -57.683 bonds (distance) P-C4' energy: -64.168 flat angles C4'-P-C4' energy: -68.901 flat angles P-C4'-P energy: -42.443 tors. eta vs tors. theta energy: -90.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1044.690980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.690980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.690980 (E_RNA) where: Base-Base interactions energy: -720.735 where: short stacking energy: -288.020 Base-Backbone interact. energy: -1.727 local terms energy: -322.228801 where: bonds (distance) C4'-P energy: -66.681 bonds (distance) P-C4' energy: -65.470 flat angles C4'-P-C4' energy: -68.695 flat angles P-C4'-P energy: -35.651 tors. eta vs tors. theta energy: -85.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -955.510234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.510234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.510234 (E_RNA) where: Base-Base interactions energy: -663.690 where: short stacking energy: -293.010 Base-Backbone interact. energy: 0.446 local terms energy: -292.266345 where: bonds (distance) C4'-P energy: -46.183 bonds (distance) P-C4' energy: -60.469 flat angles C4'-P-C4' energy: -62.485 flat angles P-C4'-P energy: -43.019 tors. eta vs tors. theta energy: -80.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -911.690834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.690834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.690834 (E_RNA) where: Base-Base interactions energy: -605.224 where: short stacking energy: -278.381 Base-Backbone interact. energy: -0.532 local terms energy: -305.934389 where: bonds (distance) C4'-P energy: -64.763 bonds (distance) P-C4' energy: -58.010 flat angles C4'-P-C4' energy: -60.865 flat angles P-C4'-P energy: -44.077 tors. eta vs tors. theta energy: -78.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -846.783320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.783320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.783320 (E_RNA) where: Base-Base interactions energy: -543.815 where: short stacking energy: -242.884 Base-Backbone interact. energy: 0.071 local terms energy: -303.039184 where: bonds (distance) C4'-P energy: -61.253 bonds (distance) P-C4' energy: -58.534 flat angles C4'-P-C4' energy: -63.469 flat angles P-C4'-P energy: -50.119 tors. eta vs tors. theta energy: -69.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -699.646511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.646511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.646511 (E_RNA) where: Base-Base interactions energy: -454.888 where: short stacking energy: -197.883 Base-Backbone interact. energy: -2.307 local terms energy: -242.452029 where: bonds (distance) C4'-P energy: -49.835 bonds (distance) P-C4' energy: -45.381 flat angles C4'-P-C4' energy: -63.934 flat angles P-C4'-P energy: -28.508 tors. eta vs tors. theta energy: -54.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -531.372135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.372135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.372135 (E_RNA) where: Base-Base interactions energy: -320.661 where: short stacking energy: -157.690 Base-Backbone interact. energy: 0.135 local terms energy: -210.846385 where: bonds (distance) C4'-P energy: -30.912 bonds (distance) P-C4' energy: -53.724 flat angles C4'-P-C4' energy: -60.974 flat angles P-C4'-P energy: -28.768 tors. eta vs tors. theta energy: -36.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -368.388462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.388462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.388462 (E_RNA) where: Base-Base interactions energy: -176.258 where: short stacking energy: -106.386 Base-Backbone interact. energy: -0.473 local terms energy: -191.657195 where: bonds (distance) C4'-P energy: -56.985 bonds (distance) P-C4' energy: -51.014 flat angles C4'-P-C4' energy: -44.103 flat angles P-C4'-P energy: -33.028 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -385.559390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.559390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.559390 (E_RNA) where: Base-Base interactions energy: -209.867 where: short stacking energy: -120.525 Base-Backbone interact. energy: 6.361 local terms energy: -182.053781 where: bonds (distance) C4'-P energy: -58.133 bonds (distance) P-C4' energy: -29.517 flat angles C4'-P-C4' energy: -48.106 flat angles P-C4'-P energy: -25.748 tors. eta vs tors. theta energy: -20.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1175.149638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.149638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.149638 (E_RNA) where: Base-Base interactions energy: -837.047 where: short stacking energy: -327.054 Base-Backbone interact. energy: -4.553 local terms energy: -333.550104 where: bonds (distance) C4'-P energy: -53.562 bonds (distance) P-C4' energy: -64.659 flat angles C4'-P-C4' energy: -78.523 flat angles P-C4'-P energy: -47.559 tors. eta vs tors. theta energy: -89.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1108.440977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.440977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.440977 (E_RNA) where: Base-Base interactions energy: -767.432 where: short stacking energy: -315.669 Base-Backbone interact. energy: -3.547 local terms energy: -337.461230 where: bonds (distance) C4'-P energy: -65.240 bonds (distance) P-C4' energy: -66.719 flat angles C4'-P-C4' energy: -70.906 flat angles P-C4'-P energy: -39.935 tors. eta vs tors. theta energy: -94.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1087.820914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.820914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.820914 (E_RNA) where: Base-Base interactions energy: -756.169 where: short stacking energy: -301.239 Base-Backbone interact. energy: 0.214 local terms energy: -331.866294 where: bonds (distance) C4'-P energy: -69.407 bonds (distance) P-C4' energy: -65.272 flat angles C4'-P-C4' energy: -59.549 flat angles P-C4'-P energy: -47.826 tors. eta vs tors. theta energy: -89.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -992.001746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.001746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.001746 (E_RNA) where: Base-Base interactions energy: -685.466 where: short stacking energy: -287.142 Base-Backbone interact. energy: -1.412 local terms energy: -305.123575 where: bonds (distance) C4'-P energy: -64.992 bonds (distance) P-C4' energy: -51.853 flat angles C4'-P-C4' energy: -67.066 flat angles P-C4'-P energy: -32.309 tors. eta vs tors. theta energy: -88.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -914.032818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.032818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.032818 (E_RNA) where: Base-Base interactions energy: -594.888 where: short stacking energy: -271.893 Base-Backbone interact. energy: 0.638 local terms energy: -319.782599 where: bonds (distance) C4'-P energy: -64.612 bonds (distance) P-C4' energy: -58.966 flat angles C4'-P-C4' energy: -66.524 flat angles P-C4'-P energy: -48.770 tors. eta vs tors. theta energy: -80.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -838.812745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.812745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.812745 (E_RNA) where: Base-Base interactions energy: -556.943 where: short stacking energy: -245.006 Base-Backbone interact. energy: -1.172 local terms energy: -280.697174 where: bonds (distance) C4'-P energy: -54.603 bonds (distance) P-C4' energy: -70.650 flat angles C4'-P-C4' energy: -51.731 flat angles P-C4'-P energy: -38.285 tors. eta vs tors. theta energy: -65.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -683.822623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.822623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.822623 (E_RNA) where: Base-Base interactions energy: -465.104 where: short stacking energy: -200.005 Base-Backbone interact. energy: -0.334 local terms energy: -218.384385 where: bonds (distance) C4'-P energy: -56.436 bonds (distance) P-C4' energy: -48.073 flat angles C4'-P-C4' energy: -49.844 flat angles P-C4'-P energy: -27.611 tors. eta vs tors. theta energy: -36.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -519.624713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.624713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.624713 (E_RNA) where: Base-Base interactions energy: -306.438 where: short stacking energy: -141.212 Base-Backbone interact. energy: -1.518 local terms energy: -211.668586 where: bonds (distance) C4'-P energy: -58.864 bonds (distance) P-C4' energy: -50.727 flat angles C4'-P-C4' energy: -53.309 flat angles P-C4'-P energy: -23.266 tors. eta vs tors. theta energy: -25.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -394.976716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.976716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.976716 (E_RNA) where: Base-Base interactions energy: -182.992 where: short stacking energy: -104.590 Base-Backbone interact. energy: -1.243 local terms energy: -210.742260 where: bonds (distance) C4'-P energy: -55.062 bonds (distance) P-C4' energy: -60.474 flat angles C4'-P-C4' energy: -64.775 flat angles P-C4'-P energy: -30.264 tors. eta vs tors. theta energy: -0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -356.417296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.417296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.417296 (E_RNA) where: Base-Base interactions energy: -174.824 where: short stacking energy: -106.206 Base-Backbone interact. energy: -1.220 local terms energy: -180.372620 where: bonds (distance) C4'-P energy: -61.706 bonds (distance) P-C4' energy: -60.944 flat angles C4'-P-C4' energy: -35.212 flat angles P-C4'-P energy: -33.079 tors. eta vs tors. theta energy: 10.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1178.108183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.108183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.108183 (E_RNA) where: Base-Base interactions energy: -851.732 where: short stacking energy: -310.298 Base-Backbone interact. energy: -2.542 local terms energy: -323.834574 where: bonds (distance) C4'-P energy: -69.825 bonds (distance) P-C4' energy: -60.155 flat angles C4'-P-C4' energy: -65.915 flat angles P-C4'-P energy: -38.369 tors. eta vs tors. theta energy: -89.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1110.424387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.424387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.424387 (E_RNA) where: Base-Base interactions energy: -766.588 where: short stacking energy: -315.696 Base-Backbone interact. energy: -2.391 local terms energy: -341.445188 where: bonds (distance) C4'-P energy: -66.843 bonds (distance) P-C4' energy: -62.578 flat angles C4'-P-C4' energy: -69.276 flat angles P-C4'-P energy: -48.284 tors. eta vs tors. theta energy: -94.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1063.508345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.508345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.508345 (E_RNA) where: Base-Base interactions energy: -760.948 where: short stacking energy: -319.164 Base-Backbone interact. energy: 2.419 local terms energy: -304.979113 where: bonds (distance) C4'-P energy: -52.881 bonds (distance) P-C4' energy: -58.152 flat angles C4'-P-C4' energy: -61.396 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -88.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -969.281538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.281538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.281538 (E_RNA) where: Base-Base interactions energy: -647.711 where: short stacking energy: -276.217 Base-Backbone interact. energy: -0.542 local terms energy: -321.028883 where: bonds (distance) C4'-P energy: -60.614 bonds (distance) P-C4' energy: -64.925 flat angles C4'-P-C4' energy: -69.537 flat angles P-C4'-P energy: -42.752 tors. eta vs tors. theta energy: -83.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -888.486324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.486324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.486324 (E_RNA) where: Base-Base interactions energy: -594.679 where: short stacking energy: -281.718 Base-Backbone interact. energy: 1.206 local terms energy: -295.013802 where: bonds (distance) C4'-P energy: -55.967 bonds (distance) P-C4' energy: -55.152 flat angles C4'-P-C4' energy: -64.041 flat angles P-C4'-P energy: -36.987 tors. eta vs tors. theta energy: -82.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -839.217215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.217215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.217215 (E_RNA) where: Base-Base interactions energy: -553.509 where: short stacking energy: -266.152 Base-Backbone interact. energy: -0.720 local terms energy: -284.988078 where: bonds (distance) C4'-P energy: -48.051 bonds (distance) P-C4' energy: -55.700 flat angles C4'-P-C4' energy: -69.704 flat angles P-C4'-P energy: -32.663 tors. eta vs tors. theta energy: -78.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -677.758808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.758808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.758808 (E_RNA) where: Base-Base interactions energy: -429.874 where: short stacking energy: -194.290 Base-Backbone interact. energy: -2.039 local terms energy: -245.845960 where: bonds (distance) C4'-P energy: -56.996 bonds (distance) P-C4' energy: -53.587 flat angles C4'-P-C4' energy: -57.943 flat angles P-C4'-P energy: -37.622 tors. eta vs tors. theta energy: -39.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -508.561687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.561687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.561687 (E_RNA) where: Base-Base interactions energy: -284.904 where: short stacking energy: -145.320 Base-Backbone interact. energy: 1.006 local terms energy: -224.664538 where: bonds (distance) C4'-P energy: -59.006 bonds (distance) P-C4' energy: -53.981 flat angles C4'-P-C4' energy: -56.412 flat angles P-C4'-P energy: -30.289 tors. eta vs tors. theta energy: -24.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -442.040862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.040862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.040862 (E_RNA) where: Base-Base interactions energy: -234.181 where: short stacking energy: -136.206 Base-Backbone interact. energy: -0.327 local terms energy: -207.532972 where: bonds (distance) C4'-P energy: -55.326 bonds (distance) P-C4' energy: -58.084 flat angles C4'-P-C4' energy: -45.315 flat angles P-C4'-P energy: -24.795 tors. eta vs tors. theta energy: -24.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -381.460225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.460225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.460225 (E_RNA) where: Base-Base interactions energy: -187.538 where: short stacking energy: -99.828 Base-Backbone interact. energy: 1.306 local terms energy: -195.228541 where: bonds (distance) C4'-P energy: -53.845 bonds (distance) P-C4' energy: -55.298 flat angles C4'-P-C4' energy: -42.451 flat angles P-C4'-P energy: -38.937 tors. eta vs tors. theta energy: -4.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1157.496344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.496344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.496344 (E_RNA) where: Base-Base interactions energy: -817.780 where: short stacking energy: -299.838 Base-Backbone interact. energy: -0.712 local terms energy: -339.004066 where: bonds (distance) C4'-P energy: -62.567 bonds (distance) P-C4' energy: -65.259 flat angles C4'-P-C4' energy: -66.723 flat angles P-C4'-P energy: -56.252 tors. eta vs tors. theta energy: -88.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1105.120553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.120553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.120553 (E_RNA) where: Base-Base interactions energy: -766.886 where: short stacking energy: -312.145 Base-Backbone interact. energy: -2.599 local terms energy: -335.635541 where: bonds (distance) C4'-P energy: -58.536 bonds (distance) P-C4' energy: -65.939 flat angles C4'-P-C4' energy: -65.688 flat angles P-C4'-P energy: -47.568 tors. eta vs tors. theta energy: -97.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1046.359031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.359031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.359031 (E_RNA) where: Base-Base interactions energy: -726.398 where: short stacking energy: -289.877 Base-Backbone interact. energy: -0.970 local terms energy: -318.990713 where: bonds (distance) C4'-P energy: -52.020 bonds (distance) P-C4' energy: -71.689 flat angles C4'-P-C4' energy: -69.291 flat angles P-C4'-P energy: -39.112 tors. eta vs tors. theta energy: -86.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -969.194295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.194295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.194295 (E_RNA) where: Base-Base interactions energy: -659.527 where: short stacking energy: -276.170 Base-Backbone interact. energy: -0.868 local terms energy: -308.798491 where: bonds (distance) C4'-P energy: -53.594 bonds (distance) P-C4' energy: -54.879 flat angles C4'-P-C4' energy: -70.510 flat angles P-C4'-P energy: -48.602 tors. eta vs tors. theta energy: -81.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -893.865206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.865206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.865206 (E_RNA) where: Base-Base interactions energy: -600.700 where: short stacking energy: -264.745 Base-Backbone interact. energy: -2.160 local terms energy: -291.005059 where: bonds (distance) C4'-P energy: -47.275 bonds (distance) P-C4' energy: -59.917 flat angles C4'-P-C4' energy: -66.996 flat angles P-C4'-P energy: -40.653 tors. eta vs tors. theta energy: -76.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -823.572993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.572993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.572993 (E_RNA) where: Base-Base interactions energy: -527.648 where: short stacking energy: -250.032 Base-Backbone interact. energy: -2.200 local terms energy: -293.724431 where: bonds (distance) C4'-P energy: -50.475 bonds (distance) P-C4' energy: -56.288 flat angles C4'-P-C4' energy: -62.814 flat angles P-C4'-P energy: -51.886 tors. eta vs tors. theta energy: -72.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -709.979509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.979509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.979509 (E_RNA) where: Base-Base interactions energy: -459.619 where: short stacking energy: -221.168 Base-Backbone interact. energy: -1.494 local terms energy: -248.866896 where: bonds (distance) C4'-P energy: -59.890 bonds (distance) P-C4' energy: -47.671 flat angles C4'-P-C4' energy: -57.388 flat angles P-C4'-P energy: -34.757 tors. eta vs tors. theta energy: -49.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -507.907010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.907010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.907010 (E_RNA) where: Base-Base interactions energy: -306.239 where: short stacking energy: -154.234 Base-Backbone interact. energy: -2.183 local terms energy: -199.485717 where: bonds (distance) C4'-P energy: -51.714 bonds (distance) P-C4' energy: -53.209 flat angles C4'-P-C4' energy: -55.902 flat angles P-C4'-P energy: -21.411 tors. eta vs tors. theta energy: -17.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -391.076532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.076532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.076532 (E_RNA) where: Base-Base interactions energy: -192.413 where: short stacking energy: -121.561 Base-Backbone interact. energy: 0.041 local terms energy: -198.703690 where: bonds (distance) C4'-P energy: -51.062 bonds (distance) P-C4' energy: -52.101 flat angles C4'-P-C4' energy: -41.433 flat angles P-C4'-P energy: -39.174 tors. eta vs tors. theta energy: -14.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -404.898364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.898364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.898364 (E_RNA) where: Base-Base interactions energy: -194.715 where: short stacking energy: -114.095 Base-Backbone interact. energy: 3.156 local terms energy: -213.339529 where: bonds (distance) C4'-P energy: -48.462 bonds (distance) P-C4' energy: -62.329 flat angles C4'-P-C4' energy: -40.751 flat angles P-C4'-P energy: -31.159 tors. eta vs tors. theta energy: -30.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1141.656131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.656131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.656131 (E_RNA) where: Base-Base interactions energy: -809.485 where: short stacking energy: -306.414 Base-Backbone interact. energy: -2.894 local terms energy: -329.277036 where: bonds (distance) C4'-P energy: -61.064 bonds (distance) P-C4' energy: -64.959 flat angles C4'-P-C4' energy: -72.965 flat angles P-C4'-P energy: -44.219 tors. eta vs tors. theta energy: -86.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1112.282865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.282865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.282865 (E_RNA) where: Base-Base interactions energy: -777.735 where: short stacking energy: -317.904 Base-Backbone interact. energy: -3.629 local terms energy: -330.918754 where: bonds (distance) C4'-P energy: -65.221 bonds (distance) P-C4' energy: -66.600 flat angles C4'-P-C4' energy: -66.180 flat angles P-C4'-P energy: -40.973 tors. eta vs tors. theta energy: -91.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1061.598274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.598274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.598274 (E_RNA) where: Base-Base interactions energy: -744.888 where: short stacking energy: -292.383 Base-Backbone interact. energy: -3.256 local terms energy: -313.453886 where: bonds (distance) C4'-P energy: -56.040 bonds (distance) P-C4' energy: -61.248 flat angles C4'-P-C4' energy: -73.755 flat angles P-C4'-P energy: -40.885 tors. eta vs tors. theta energy: -81.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -960.928281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.928281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.928281 (E_RNA) where: Base-Base interactions energy: -657.905 where: short stacking energy: -278.496 Base-Backbone interact. energy: -0.204 local terms energy: -302.819615 where: bonds (distance) C4'-P energy: -62.208 bonds (distance) P-C4' energy: -61.788 flat angles C4'-P-C4' energy: -64.421 flat angles P-C4'-P energy: -38.592 tors. eta vs tors. theta energy: -75.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -812.968667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.968667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.968667 (E_RNA) where: Base-Base interactions energy: -526.141 where: short stacking energy: -241.712 Base-Backbone interact. energy: -2.571 local terms energy: -284.256423 where: bonds (distance) C4'-P energy: -63.658 bonds (distance) P-C4' energy: -50.258 flat angles C4'-P-C4' energy: -61.645 flat angles P-C4'-P energy: -46.892 tors. eta vs tors. theta energy: -61.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -880.556566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.556566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.556566 (E_RNA) where: Base-Base interactions energy: -577.713 where: short stacking energy: -258.320 Base-Backbone interact. energy: -0.999 local terms energy: -301.844407 where: bonds (distance) C4'-P energy: -48.885 bonds (distance) P-C4' energy: -58.924 flat angles C4'-P-C4' energy: -66.945 flat angles P-C4'-P energy: -50.542 tors. eta vs tors. theta energy: -76.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -626.877851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.877851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.877851 (E_RNA) where: Base-Base interactions energy: -393.409 where: short stacking energy: -183.152 Base-Backbone interact. energy: -1.051 local terms energy: -232.417716 where: bonds (distance) C4'-P energy: -59.310 bonds (distance) P-C4' energy: -43.271 flat angles C4'-P-C4' energy: -61.827 flat angles P-C4'-P energy: -29.999 tors. eta vs tors. theta energy: -38.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -549.946019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.946019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.946019 (E_RNA) where: Base-Base interactions energy: -319.267 where: short stacking energy: -149.415 Base-Backbone interact. energy: 1.420 local terms energy: -232.098460 where: bonds (distance) C4'-P energy: -54.134 bonds (distance) P-C4' energy: -58.054 flat angles C4'-P-C4' energy: -58.264 flat angles P-C4'-P energy: -32.016 tors. eta vs tors. theta energy: -29.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -380.118025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.118025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.118025 (E_RNA) where: Base-Base interactions energy: -199.016 where: short stacking energy: -113.515 Base-Backbone interact. energy: -1.038 local terms energy: -180.063935 where: bonds (distance) C4'-P energy: -49.612 bonds (distance) P-C4' energy: -55.986 flat angles C4'-P-C4' energy: -44.465 flat angles P-C4'-P energy: -25.843 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -370.040833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.040833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.040833 (E_RNA) where: Base-Base interactions energy: -172.189 where: short stacking energy: -99.375 Base-Backbone interact. energy: -0.894 local terms energy: -196.957882 where: bonds (distance) C4'-P energy: -57.532 bonds (distance) P-C4' energy: -52.297 flat angles C4'-P-C4' energy: -42.282 flat angles P-C4'-P energy: -41.746 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1164.303460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.303460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.303460 (E_RNA) where: Base-Base interactions energy: -820.789 where: short stacking energy: -320.578 Base-Backbone interact. energy: -2.828 local terms energy: -340.686604 where: bonds (distance) C4'-P energy: -60.028 bonds (distance) P-C4' energy: -64.825 flat angles C4'-P-C4' energy: -72.664 flat angles P-C4'-P energy: -53.341 tors. eta vs tors. theta energy: -89.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1113.151445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.151445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.151445 (E_RNA) where: Base-Base interactions energy: -772.756 where: short stacking energy: -312.668 Base-Backbone interact. energy: -1.529 local terms energy: -338.867146 where: bonds (distance) C4'-P energy: -67.745 bonds (distance) P-C4' energy: -59.186 flat angles C4'-P-C4' energy: -68.230 flat angles P-C4'-P energy: -51.851 tors. eta vs tors. theta energy: -91.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1067.158377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.158377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.158377 (E_RNA) where: Base-Base interactions energy: -758.009 where: short stacking energy: -304.646 Base-Backbone interact. energy: -1.211 local terms energy: -307.938884 where: bonds (distance) C4'-P energy: -55.000 bonds (distance) P-C4' energy: -59.886 flat angles C4'-P-C4' energy: -64.775 flat angles P-C4'-P energy: -40.181 tors. eta vs tors. theta energy: -88.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -979.081195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.081195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.081195 (E_RNA) where: Base-Base interactions energy: -673.508 where: short stacking energy: -269.742 Base-Backbone interact. energy: 0.551 local terms energy: -306.124345 where: bonds (distance) C4'-P energy: -65.491 bonds (distance) P-C4' energy: -65.282 flat angles C4'-P-C4' energy: -59.602 flat angles P-C4'-P energy: -39.122 tors. eta vs tors. theta energy: -76.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -852.606530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.606530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.606530 (E_RNA) where: Base-Base interactions energy: -549.254 where: short stacking energy: -254.645 Base-Backbone interact. energy: -1.392 local terms energy: -301.960157 where: bonds (distance) C4'-P energy: -51.210 bonds (distance) P-C4' energy: -67.850 flat angles C4'-P-C4' energy: -71.148 flat angles P-C4'-P energy: -42.389 tors. eta vs tors. theta energy: -69.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -878.898883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.898883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.898883 (E_RNA) where: Base-Base interactions energy: -595.986 where: short stacking energy: -266.506 Base-Backbone interact. energy: -2.187 local terms energy: -280.726566 where: bonds (distance) C4'-P energy: -44.096 bonds (distance) P-C4' energy: -56.808 flat angles C4'-P-C4' energy: -69.791 flat angles P-C4'-P energy: -29.728 tors. eta vs tors. theta energy: -80.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -645.099181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.099181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.099181 (E_RNA) where: Base-Base interactions energy: -403.041 where: short stacking energy: -181.736 Base-Backbone interact. energy: 3.005 local terms energy: -245.063411 where: bonds (distance) C4'-P energy: -52.448 bonds (distance) P-C4' energy: -51.621 flat angles C4'-P-C4' energy: -53.885 flat angles P-C4'-P energy: -43.764 tors. eta vs tors. theta energy: -43.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -557.550090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.550090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.550090 (E_RNA) where: Base-Base interactions energy: -343.114 where: short stacking energy: -189.133 Base-Backbone interact. energy: 3.177 local terms energy: -217.612560 where: bonds (distance) C4'-P energy: -43.145 bonds (distance) P-C4' energy: -53.358 flat angles C4'-P-C4' energy: -47.037 flat angles P-C4'-P energy: -34.941 tors. eta vs tors. theta energy: -39.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -419.724628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.724628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.724628 (E_RNA) where: Base-Base interactions energy: -213.244 where: short stacking energy: -123.546 Base-Backbone interact. energy: -0.094 local terms energy: -206.386448 where: bonds (distance) C4'-P energy: -41.916 bonds (distance) P-C4' energy: -61.086 flat angles C4'-P-C4' energy: -58.007 flat angles P-C4'-P energy: -33.746 tors. eta vs tors. theta energy: -11.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -344.417766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.417766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.417766 (E_RNA) where: Base-Base interactions energy: -165.009 where: short stacking energy: -106.536 Base-Backbone interact. energy: 0.281 local terms energy: -179.689749 where: bonds (distance) C4'-P energy: -58.774 bonds (distance) P-C4' energy: -53.911 flat angles C4'-P-C4' energy: -48.665 flat angles P-C4'-P energy: -12.959 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1176.028789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.028789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.028789 (E_RNA) where: Base-Base interactions energy: -834.877 where: short stacking energy: -320.490 Base-Backbone interact. energy: 1.135 local terms energy: -342.286785 where: bonds (distance) C4'-P energy: -66.488 bonds (distance) P-C4' energy: -63.535 flat angles C4'-P-C4' energy: -76.519 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -88.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1111.965092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.965092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.965092 (E_RNA) where: Base-Base interactions energy: -772.352 where: short stacking energy: -313.356 Base-Backbone interact. energy: -2.717 local terms energy: -336.896482 where: bonds (distance) C4'-P energy: -62.585 bonds (distance) P-C4' energy: -70.087 flat angles C4'-P-C4' energy: -69.419 flat angles P-C4'-P energy: -46.440 tors. eta vs tors. theta energy: -88.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1062.956237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.956237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.956237 (E_RNA) where: Base-Base interactions energy: -747.293 where: short stacking energy: -308.486 Base-Backbone interact. energy: -3.077 local terms energy: -312.586288 where: bonds (distance) C4'-P energy: -56.673 bonds (distance) P-C4' energy: -53.591 flat angles C4'-P-C4' energy: -63.455 flat angles P-C4'-P energy: -50.670 tors. eta vs tors. theta energy: -88.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1004.842591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.842591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.842591 (E_RNA) where: Base-Base interactions energy: -671.349 where: short stacking energy: -279.237 Base-Backbone interact. energy: -2.459 local terms energy: -331.035112 where: bonds (distance) C4'-P energy: -66.274 bonds (distance) P-C4' energy: -72.814 flat angles C4'-P-C4' energy: -72.638 flat angles P-C4'-P energy: -38.293 tors. eta vs tors. theta energy: -81.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -873.723366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.723366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.723366 (E_RNA) where: Base-Base interactions energy: -577.081 where: short stacking energy: -256.460 Base-Backbone interact. energy: -0.691 local terms energy: -295.951933 where: bonds (distance) C4'-P energy: -50.944 bonds (distance) P-C4' energy: -48.868 flat angles C4'-P-C4' energy: -72.830 flat angles P-C4'-P energy: -41.139 tors. eta vs tors. theta energy: -82.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -824.207428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.207428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.207428 (E_RNA) where: Base-Base interactions energy: -537.482 where: short stacking energy: -262.338 Base-Backbone interact. energy: -1.085 local terms energy: -285.640654 where: bonds (distance) C4'-P energy: -47.013 bonds (distance) P-C4' energy: -55.438 flat angles C4'-P-C4' energy: -70.223 flat angles P-C4'-P energy: -39.516 tors. eta vs tors. theta energy: -73.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -652.086148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.086148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.086148 (E_RNA) where: Base-Base interactions energy: -407.142 where: short stacking energy: -177.150 Base-Backbone interact. energy: 0.085 local terms energy: -245.029126 where: bonds (distance) C4'-P energy: -53.381 bonds (distance) P-C4' energy: -61.553 flat angles C4'-P-C4' energy: -62.303 flat angles P-C4'-P energy: -32.897 tors. eta vs tors. theta energy: -34.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -532.970961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.970961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.970961 (E_RNA) where: Base-Base interactions energy: -297.288 where: short stacking energy: -150.970 Base-Backbone interact. energy: 2.046 local terms energy: -237.728664 where: bonds (distance) C4'-P energy: -45.175 bonds (distance) P-C4' energy: -59.600 flat angles C4'-P-C4' energy: -55.454 flat angles P-C4'-P energy: -37.421 tors. eta vs tors. theta energy: -40.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -418.411688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.411688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.411688 (E_RNA) where: Base-Base interactions energy: -227.233 where: short stacking energy: -130.174 Base-Backbone interact. energy: -1.869 local terms energy: -189.309481 where: bonds (distance) C4'-P energy: -57.200 bonds (distance) P-C4' energy: -46.901 flat angles C4'-P-C4' energy: -45.785 flat angles P-C4'-P energy: -25.625 tors. eta vs tors. theta energy: -13.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -319.809512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.809512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.809512 (E_RNA) where: Base-Base interactions energy: -159.210 where: short stacking energy: -99.544 Base-Backbone interact. energy: 0.470 local terms energy: -161.069472 where: bonds (distance) C4'-P energy: -54.054 bonds (distance) P-C4' energy: -49.368 flat angles C4'-P-C4' energy: -37.536 flat angles P-C4'-P energy: -23.809 tors. eta vs tors. theta energy: 3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1166.495677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.495677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.495677 (E_RNA) where: Base-Base interactions energy: -816.879 where: short stacking energy: -306.265 Base-Backbone interact. energy: -1.651 local terms energy: -347.965685 where: bonds (distance) C4'-P energy: -67.138 bonds (distance) P-C4' energy: -67.661 flat angles C4'-P-C4' energy: -72.985 flat angles P-C4'-P energy: -51.422 tors. eta vs tors. theta energy: -88.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1103.668037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.668037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.668037 (E_RNA) where: Base-Base interactions energy: -769.372 where: short stacking energy: -305.944 Base-Backbone interact. energy: -1.027 local terms energy: -333.269754 where: bonds (distance) C4'-P energy: -67.947 bonds (distance) P-C4' energy: -71.651 flat angles C4'-P-C4' energy: -71.016 flat angles P-C4'-P energy: -34.605 tors. eta vs tors. theta energy: -88.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1098.229137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.229137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.229137 (E_RNA) where: Base-Base interactions energy: -762.192 where: short stacking energy: -320.474 Base-Backbone interact. energy: 0.805 local terms energy: -336.842360 where: bonds (distance) C4'-P energy: -70.384 bonds (distance) P-C4' energy: -57.079 flat angles C4'-P-C4' energy: -74.876 flat angles P-C4'-P energy: -48.421 tors. eta vs tors. theta energy: -86.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -996.292036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.292036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.292036 (E_RNA) where: Base-Base interactions energy: -682.245 where: short stacking energy: -284.254 Base-Backbone interact. energy: -1.700 local terms energy: -312.347486 where: bonds (distance) C4'-P energy: -64.912 bonds (distance) P-C4' energy: -54.787 flat angles C4'-P-C4' energy: -68.047 flat angles P-C4'-P energy: -38.464 tors. eta vs tors. theta energy: -86.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -880.634347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.634347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.634347 (E_RNA) where: Base-Base interactions energy: -608.062 where: short stacking energy: -269.655 Base-Backbone interact. energy: -1.130 local terms energy: -271.441987 where: bonds (distance) C4'-P energy: -58.981 bonds (distance) P-C4' energy: -42.114 flat angles C4'-P-C4' energy: -54.866 flat angles P-C4'-P energy: -36.635 tors. eta vs tors. theta energy: -78.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -836.046671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.046671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.046671 (E_RNA) where: Base-Base interactions energy: -545.963 where: short stacking energy: -264.405 Base-Backbone interact. energy: -0.458 local terms energy: -289.625435 where: bonds (distance) C4'-P energy: -58.969 bonds (distance) P-C4' energy: -55.169 flat angles C4'-P-C4' energy: -62.415 flat angles P-C4'-P energy: -38.642 tors. eta vs tors. theta energy: -74.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -669.153384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.153384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.153384 (E_RNA) where: Base-Base interactions energy: -413.458 where: short stacking energy: -195.510 Base-Backbone interact. energy: -1.311 local terms energy: -254.383956 where: bonds (distance) C4'-P energy: -59.758 bonds (distance) P-C4' energy: -57.554 flat angles C4'-P-C4' energy: -53.533 flat angles P-C4'-P energy: -41.210 tors. eta vs tors. theta energy: -42.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -475.046367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.046367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.046367 (E_RNA) where: Base-Base interactions energy: -244.086 where: short stacking energy: -144.068 Base-Backbone interact. energy: 1.838 local terms energy: -232.798646 where: bonds (distance) C4'-P energy: -61.183 bonds (distance) P-C4' energy: -56.607 flat angles C4'-P-C4' energy: -53.039 flat angles P-C4'-P energy: -37.027 tors. eta vs tors. theta energy: -24.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -402.446185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.446185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.446185 (E_RNA) where: Base-Base interactions energy: -179.163 where: short stacking energy: -110.263 Base-Backbone interact. energy: 0.064 local terms energy: -223.347027 where: bonds (distance) C4'-P energy: -56.717 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -45.220 flat angles P-C4'-P energy: -42.966 tors. eta vs tors. theta energy: -14.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -368.663289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.663289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.663289 (E_RNA) where: Base-Base interactions energy: -194.434 where: short stacking energy: -116.113 Base-Backbone interact. energy: -1.611 local terms energy: -172.618589 where: bonds (distance) C4'-P energy: -50.748 bonds (distance) P-C4' energy: -57.252 flat angles C4'-P-C4' energy: -37.203 flat angles P-C4'-P energy: -25.647 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1156.212020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.212020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.212020 (E_RNA) where: Base-Base interactions energy: -823.159 where: short stacking energy: -314.289 Base-Backbone interact. energy: 2.786 local terms energy: -335.838802 where: bonds (distance) C4'-P energy: -67.474 bonds (distance) P-C4' energy: -59.350 flat angles C4'-P-C4' energy: -68.378 flat angles P-C4'-P energy: -49.963 tors. eta vs tors. theta energy: -90.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1069.905774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.905774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.905774 (E_RNA) where: Base-Base interactions energy: -773.774 where: short stacking energy: -315.489 Base-Backbone interact. energy: -1.996 local terms energy: -294.135718 where: bonds (distance) C4'-P energy: -51.659 bonds (distance) P-C4' energy: -59.022 flat angles C4'-P-C4' energy: -59.129 flat angles P-C4'-P energy: -40.115 tors. eta vs tors. theta energy: -84.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1075.529391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.529391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.529391 (E_RNA) where: Base-Base interactions energy: -745.487 where: short stacking energy: -322.315 Base-Backbone interact. energy: 1.842 local terms energy: -331.883873 where: bonds (distance) C4'-P energy: -71.771 bonds (distance) P-C4' energy: -52.798 flat angles C4'-P-C4' energy: -73.993 flat angles P-C4'-P energy: -46.980 tors. eta vs tors. theta energy: -86.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -977.077560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.077560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.077560 (E_RNA) where: Base-Base interactions energy: -680.006 where: short stacking energy: -279.735 Base-Backbone interact. energy: 2.477 local terms energy: -299.548605 where: bonds (distance) C4'-P energy: -54.915 bonds (distance) P-C4' energy: -51.439 flat angles C4'-P-C4' energy: -63.634 flat angles P-C4'-P energy: -43.035 tors. eta vs tors. theta energy: -86.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -928.101670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.101670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.101670 (E_RNA) where: Base-Base interactions energy: -627.350 where: short stacking energy: -274.789 Base-Backbone interact. energy: -1.585 local terms energy: -299.167459 where: bonds (distance) C4'-P energy: -47.606 bonds (distance) P-C4' energy: -54.066 flat angles C4'-P-C4' energy: -66.291 flat angles P-C4'-P energy: -49.422 tors. eta vs tors. theta energy: -81.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -822.564324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.564324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.564324 (E_RNA) where: Base-Base interactions energy: -532.645 where: short stacking energy: -253.237 Base-Backbone interact. energy: -0.107 local terms energy: -289.811451 where: bonds (distance) C4'-P energy: -51.652 bonds (distance) P-C4' energy: -63.010 flat angles C4'-P-C4' energy: -66.291 flat angles P-C4'-P energy: -37.389 tors. eta vs tors. theta energy: -71.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -718.815851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.815851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.815851 (E_RNA) where: Base-Base interactions energy: -471.947 where: short stacking energy: -204.427 Base-Backbone interact. energy: -0.654 local terms energy: -246.215413 where: bonds (distance) C4'-P energy: -58.259 bonds (distance) P-C4' energy: -57.220 flat angles C4'-P-C4' energy: -46.008 flat angles P-C4'-P energy: -35.331 tors. eta vs tors. theta energy: -49.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -484.074355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.074355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.074355 (E_RNA) where: Base-Base interactions energy: -286.640 where: short stacking energy: -130.740 Base-Backbone interact. energy: 1.127 local terms energy: -198.561433 where: bonds (distance) C4'-P energy: -53.992 bonds (distance) P-C4' energy: -57.711 flat angles C4'-P-C4' energy: -54.924 flat angles P-C4'-P energy: -30.683 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -428.722801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.722801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.722801 (E_RNA) where: Base-Base interactions energy: -231.109 where: short stacking energy: -128.333 Base-Backbone interact. energy: -0.650 local terms energy: -196.964082 where: bonds (distance) C4'-P energy: -51.627 bonds (distance) P-C4' energy: -55.064 flat angles C4'-P-C4' energy: -47.620 flat angles P-C4'-P energy: -26.494 tors. eta vs tors. theta energy: -16.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -385.579456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.579456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.579456 (E_RNA) where: Base-Base interactions energy: -198.754 where: short stacking energy: -113.979 Base-Backbone interact. energy: -1.619 local terms energy: -185.205789 where: bonds (distance) C4'-P energy: -46.611 bonds (distance) P-C4' energy: -47.907 flat angles C4'-P-C4' energy: -46.126 flat angles P-C4'-P energy: -32.720 tors. eta vs tors. theta energy: -11.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1161.600923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.600923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.600923 (E_RNA) where: Base-Base interactions energy: -822.506 where: short stacking energy: -300.618 Base-Backbone interact. energy: -1.606 local terms energy: -337.488609 where: bonds (distance) C4'-P energy: -67.203 bonds (distance) P-C4' energy: -59.913 flat angles C4'-P-C4' energy: -71.080 flat angles P-C4'-P energy: -46.898 tors. eta vs tors. theta energy: -92.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1106.857843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.857843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.857843 (E_RNA) where: Base-Base interactions energy: -782.966 where: short stacking energy: -330.475 Base-Backbone interact. energy: -0.585 local terms energy: -323.306394 where: bonds (distance) C4'-P energy: -62.914 bonds (distance) P-C4' energy: -60.621 flat angles C4'-P-C4' energy: -63.198 flat angles P-C4'-P energy: -40.560 tors. eta vs tors. theta energy: -96.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1059.836489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.836489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.836489 (E_RNA) where: Base-Base interactions energy: -739.571 where: short stacking energy: -305.683 Base-Backbone interact. energy: -0.939 local terms energy: -319.326646 where: bonds (distance) C4'-P energy: -64.999 bonds (distance) P-C4' energy: -58.927 flat angles C4'-P-C4' energy: -59.687 flat angles P-C4'-P energy: -47.702 tors. eta vs tors. theta energy: -88.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -984.945258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.945258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.945258 (E_RNA) where: Base-Base interactions energy: -678.299 where: short stacking energy: -285.787 Base-Backbone interact. energy: 2.981 local terms energy: -309.627012 where: bonds (distance) C4'-P energy: -53.410 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -65.485 flat angles P-C4'-P energy: -48.840 tors. eta vs tors. theta energy: -80.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -925.884238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.884238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.884238 (E_RNA) where: Base-Base interactions energy: -624.415 where: short stacking energy: -279.974 Base-Backbone interact. energy: -0.350 local terms energy: -301.118605 where: bonds (distance) C4'-P energy: -61.388 bonds (distance) P-C4' energy: -51.360 flat angles C4'-P-C4' energy: -62.669 flat angles P-C4'-P energy: -40.806 tors. eta vs tors. theta energy: -84.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -844.607446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.607446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.607446 (E_RNA) where: Base-Base interactions energy: -551.673 where: short stacking energy: -262.376 Base-Backbone interact. energy: -0.930 local terms energy: -292.004297 where: bonds (distance) C4'-P energy: -51.175 bonds (distance) P-C4' energy: -59.928 flat angles C4'-P-C4' energy: -59.624 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -78.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -700.333747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.333747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.333747 (E_RNA) where: Base-Base interactions energy: -456.363 where: short stacking energy: -226.079 Base-Backbone interact. energy: -0.607 local terms energy: -243.364079 where: bonds (distance) C4'-P energy: -47.336 bonds (distance) P-C4' energy: -55.133 flat angles C4'-P-C4' energy: -55.682 flat angles P-C4'-P energy: -36.883 tors. eta vs tors. theta energy: -48.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -466.128463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.128463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.128463 (E_RNA) where: Base-Base interactions energy: -255.884 where: short stacking energy: -138.197 Base-Backbone interact. energy: -0.430 local terms energy: -209.814608 where: bonds (distance) C4'-P energy: -56.381 bonds (distance) P-C4' energy: -50.351 flat angles C4'-P-C4' energy: -48.822 flat angles P-C4'-P energy: -32.184 tors. eta vs tors. theta energy: -22.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -440.927588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.927588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.927588 (E_RNA) where: Base-Base interactions energy: -239.404 where: short stacking energy: -130.089 Base-Backbone interact. energy: 0.882 local terms energy: -202.406252 where: bonds (distance) C4'-P energy: -46.750 bonds (distance) P-C4' energy: -55.176 flat angles C4'-P-C4' energy: -52.148 flat angles P-C4'-P energy: -32.016 tors. eta vs tors. theta energy: -16.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -329.224258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.224258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.224258 (E_RNA) where: Base-Base interactions energy: -128.402 where: short stacking energy: -75.257 Base-Backbone interact. energy: -1.356 local terms energy: -199.465982 where: bonds (distance) C4'-P energy: -62.255 bonds (distance) P-C4' energy: -63.625 flat angles C4'-P-C4' energy: -52.118 flat angles P-C4'-P energy: -23.322 tors. eta vs tors. theta energy: 1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1157.855511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.855511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.855511 (E_RNA) where: Base-Base interactions energy: -812.364 where: short stacking energy: -305.284 Base-Backbone interact. energy: -3.232 local terms energy: -342.259687 where: bonds (distance) C4'-P energy: -62.934 bonds (distance) P-C4' energy: -66.198 flat angles C4'-P-C4' energy: -79.258 flat angles P-C4'-P energy: -43.119 tors. eta vs tors. theta energy: -90.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1125.829587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.829587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.829587 (E_RNA) where: Base-Base interactions energy: -801.981 where: short stacking energy: -335.754 Base-Backbone interact. energy: -1.230 local terms energy: -322.618565 where: bonds (distance) C4'-P energy: -54.752 bonds (distance) P-C4' energy: -64.382 flat angles C4'-P-C4' energy: -76.531 flat angles P-C4'-P energy: -36.046 tors. eta vs tors. theta energy: -90.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1060.593496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.593496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.593496 (E_RNA) where: Base-Base interactions energy: -733.342 where: short stacking energy: -297.428 Base-Backbone interact. energy: -2.874 local terms energy: -324.377577 where: bonds (distance) C4'-P energy: -67.576 bonds (distance) P-C4' energy: -59.526 flat angles C4'-P-C4' energy: -67.703 flat angles P-C4'-P energy: -47.327 tors. eta vs tors. theta energy: -82.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -990.555585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.555585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.555585 (E_RNA) where: Base-Base interactions energy: -677.688 where: short stacking energy: -286.915 Base-Backbone interact. energy: -0.946 local terms energy: -311.921797 where: bonds (distance) C4'-P energy: -50.717 bonds (distance) P-C4' energy: -60.691 flat angles C4'-P-C4' energy: -61.443 flat angles P-C4'-P energy: -48.743 tors. eta vs tors. theta energy: -90.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -947.788152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.788152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.788152 (E_RNA) where: Base-Base interactions energy: -639.112 where: short stacking energy: -293.773 Base-Backbone interact. energy: -1.099 local terms energy: -307.577437 where: bonds (distance) C4'-P energy: -58.245 bonds (distance) P-C4' energy: -55.464 flat angles C4'-P-C4' energy: -60.834 flat angles P-C4'-P energy: -43.371 tors. eta vs tors. theta energy: -89.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -901.559407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.559407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.559407 (E_RNA) where: Base-Base interactions energy: -595.621 where: short stacking energy: -260.908 Base-Backbone interact. energy: 0.924 local terms energy: -306.862634 where: bonds (distance) C4'-P energy: -53.519 bonds (distance) P-C4' energy: -63.388 flat angles C4'-P-C4' energy: -60.669 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: -81.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -711.534588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.534588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.534588 (E_RNA) where: Base-Base interactions energy: -459.557 where: short stacking energy: -204.168 Base-Backbone interact. energy: 0.579 local terms energy: -252.556501 where: bonds (distance) C4'-P energy: -62.361 bonds (distance) P-C4' energy: -53.026 flat angles C4'-P-C4' energy: -56.688 flat angles P-C4'-P energy: -32.446 tors. eta vs tors. theta energy: -48.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -484.289544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.289544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.289544 (E_RNA) where: Base-Base interactions energy: -284.572 where: short stacking energy: -162.790 Base-Backbone interact. energy: 0.586 local terms energy: -200.303948 where: bonds (distance) C4'-P energy: -40.170 bonds (distance) P-C4' energy: -52.366 flat angles C4'-P-C4' energy: -61.276 flat angles P-C4'-P energy: -17.419 tors. eta vs tors. theta energy: -29.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -432.175343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.175343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.175343 (E_RNA) where: Base-Base interactions energy: -219.435 where: short stacking energy: -101.812 Base-Backbone interact. energy: 1.297 local terms energy: -214.037037 where: bonds (distance) C4'-P energy: -57.525 bonds (distance) P-C4' energy: -62.277 flat angles C4'-P-C4' energy: -50.927 flat angles P-C4'-P energy: -44.953 tors. eta vs tors. theta energy: 1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -263.443128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.443128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.443128 (E_RNA) where: Base-Base interactions energy: -102.800 where: short stacking energy: -77.682 Base-Backbone interact. energy: 0.931 local terms energy: -161.574591 where: bonds (distance) C4'-P energy: -47.521 bonds (distance) P-C4' energy: -58.737 flat angles C4'-P-C4' energy: -39.918 flat angles P-C4'-P energy: -24.428 tors. eta vs tors. theta energy: 9.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1170.344951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.344951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.344951 (E_RNA) where: Base-Base interactions energy: -829.988 where: short stacking energy: -321.931 Base-Backbone interact. energy: -2.157 local terms energy: -338.200206 where: bonds (distance) C4'-P energy: -67.763 bonds (distance) P-C4' energy: -58.373 flat angles C4'-P-C4' energy: -74.582 flat angles P-C4'-P energy: -48.173 tors. eta vs tors. theta energy: -89.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1095.006467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.006467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.006467 (E_RNA) where: Base-Base interactions energy: -765.587 where: short stacking energy: -297.568 Base-Backbone interact. energy: -2.579 local terms energy: -326.840682 where: bonds (distance) C4'-P energy: -64.348 bonds (distance) P-C4' energy: -67.996 flat angles C4'-P-C4' energy: -70.590 flat angles P-C4'-P energy: -43.252 tors. eta vs tors. theta energy: -80.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1060.941992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.941992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.941992 (E_RNA) where: Base-Base interactions energy: -730.994 where: short stacking energy: -309.789 Base-Backbone interact. energy: -1.870 local terms energy: -328.077390 where: bonds (distance) C4'-P energy: -59.690 bonds (distance) P-C4' energy: -57.898 flat angles C4'-P-C4' energy: -79.673 flat angles P-C4'-P energy: -39.479 tors. eta vs tors. theta energy: -91.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1000.136485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.136485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.136485 (E_RNA) where: Base-Base interactions energy: -689.194 where: short stacking energy: -299.264 Base-Backbone interact. energy: -3.060 local terms energy: -307.882814 where: bonds (distance) C4'-P energy: -48.338 bonds (distance) P-C4' energy: -60.213 flat angles C4'-P-C4' energy: -67.058 flat angles P-C4'-P energy: -38.328 tors. eta vs tors. theta energy: -93.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -944.569923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.569923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.569923 (E_RNA) where: Base-Base interactions energy: -629.148 where: short stacking energy: -279.932 Base-Backbone interact. energy: -1.400 local terms energy: -314.021472 where: bonds (distance) C4'-P energy: -53.692 bonds (distance) P-C4' energy: -58.460 flat angles C4'-P-C4' energy: -71.020 flat angles P-C4'-P energy: -40.718 tors. eta vs tors. theta energy: -90.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -868.278359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.278359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.278359 (E_RNA) where: Base-Base interactions energy: -581.800 where: short stacking energy: -263.470 Base-Backbone interact. energy: -1.905 local terms energy: -284.573778 where: bonds (distance) C4'-P energy: -45.151 bonds (distance) P-C4' energy: -56.237 flat angles C4'-P-C4' energy: -60.803 flat angles P-C4'-P energy: -47.957 tors. eta vs tors. theta energy: -74.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -683.985467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.985467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.985467 (E_RNA) where: Base-Base interactions energy: -436.618 where: short stacking energy: -212.217 Base-Backbone interact. energy: -0.384 local terms energy: -246.983157 where: bonds (distance) C4'-P energy: -47.189 bonds (distance) P-C4' energy: -43.521 flat angles C4'-P-C4' energy: -63.561 flat angles P-C4'-P energy: -45.599 tors. eta vs tors. theta energy: -47.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -458.760874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.760874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.760874 (E_RNA) where: Base-Base interactions energy: -258.878 where: short stacking energy: -133.543 Base-Backbone interact. energy: -2.591 local terms energy: -197.291587 where: bonds (distance) C4'-P energy: -51.664 bonds (distance) P-C4' energy: -59.001 flat angles C4'-P-C4' energy: -48.789 flat angles P-C4'-P energy: -34.251 tors. eta vs tors. theta energy: -3.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -479.032927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.032927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.032927 (E_RNA) where: Base-Base interactions energy: -257.279 where: short stacking energy: -139.832 Base-Backbone interact. energy: 0.260 local terms energy: -222.014211 where: bonds (distance) C4'-P energy: -56.781 bonds (distance) P-C4' energy: -64.016 flat angles C4'-P-C4' energy: -52.751 flat angles P-C4'-P energy: -22.977 tors. eta vs tors. theta energy: -25.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -286.526963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.526963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.526963 (E_RNA) where: Base-Base interactions energy: -112.259 where: short stacking energy: -100.582 Base-Backbone interact. energy: -0.875 local terms energy: -173.393042 where: bonds (distance) C4'-P energy: -39.645 bonds (distance) P-C4' energy: -66.208 flat angles C4'-P-C4' energy: -57.078 flat angles P-C4'-P energy: -24.595 tors. eta vs tors. theta energy: 14.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1142.201554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.201554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.201554 (E_RNA) where: Base-Base interactions energy: -788.019 where: short stacking energy: -320.456 Base-Backbone interact. energy: -1.884 local terms energy: -352.297841 where: bonds (distance) C4'-P energy: -60.712 bonds (distance) P-C4' energy: -68.519 flat angles C4'-P-C4' energy: -71.177 flat angles P-C4'-P energy: -57.045 tors. eta vs tors. theta energy: -94.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1145.117143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.117143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.117143 (E_RNA) where: Base-Base interactions energy: -803.205 where: short stacking energy: -317.844 Base-Backbone interact. energy: 0.940 local terms energy: -342.851823 where: bonds (distance) C4'-P energy: -64.310 bonds (distance) P-C4' energy: -62.889 flat angles C4'-P-C4' energy: -74.710 flat angles P-C4'-P energy: -54.117 tors. eta vs tors. theta energy: -86.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1074.002049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.002049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.002049 (E_RNA) where: Base-Base interactions energy: -761.587 where: short stacking energy: -308.851 Base-Backbone interact. energy: -1.684 local terms energy: -310.730607 where: bonds (distance) C4'-P energy: -59.444 bonds (distance) P-C4' energy: -60.261 flat angles C4'-P-C4' energy: -70.219 flat angles P-C4'-P energy: -31.885 tors. eta vs tors. theta energy: -88.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1007.786302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.786302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.786302 (E_RNA) where: Base-Base interactions energy: -674.400 where: short stacking energy: -277.223 Base-Backbone interact. energy: -0.859 local terms energy: -332.527534 where: bonds (distance) C4'-P energy: -60.467 bonds (distance) P-C4' energy: -70.525 flat angles C4'-P-C4' energy: -62.668 flat angles P-C4'-P energy: -53.169 tors. eta vs tors. theta energy: -85.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -940.326580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.326580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.326580 (E_RNA) where: Base-Base interactions energy: -625.965 where: short stacking energy: -261.910 Base-Backbone interact. energy: -0.470 local terms energy: -313.891318 where: bonds (distance) C4'-P energy: -53.910 bonds (distance) P-C4' energy: -60.258 flat angles C4'-P-C4' energy: -70.066 flat angles P-C4'-P energy: -50.640 tors. eta vs tors. theta energy: -79.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -867.960948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.960948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.960948 (E_RNA) where: Base-Base interactions energy: -551.388 where: short stacking energy: -264.562 Base-Backbone interact. energy: -0.782 local terms energy: -315.790904 where: bonds (distance) C4'-P energy: -66.007 bonds (distance) P-C4' energy: -56.974 flat angles C4'-P-C4' energy: -75.667 flat angles P-C4'-P energy: -38.909 tors. eta vs tors. theta energy: -78.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -735.854600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.854600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.854600 (E_RNA) where: Base-Base interactions energy: -467.702 where: short stacking energy: -227.588 Base-Backbone interact. energy: -1.009 local terms energy: -267.143727 where: bonds (distance) C4'-P energy: -46.685 bonds (distance) P-C4' energy: -60.675 flat angles C4'-P-C4' energy: -66.925 flat angles P-C4'-P energy: -40.574 tors. eta vs tors. theta energy: -52.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -454.357045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.357045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.357045 (E_RNA) where: Base-Base interactions energy: -251.426 where: short stacking energy: -132.058 Base-Backbone interact. energy: -0.450 local terms energy: -202.480863 where: bonds (distance) C4'-P energy: -42.877 bonds (distance) P-C4' energy: -51.407 flat angles C4'-P-C4' energy: -57.523 flat angles P-C4'-P energy: -25.707 tors. eta vs tors. theta energy: -24.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -482.793565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.793565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.793565 (E_RNA) where: Base-Base interactions energy: -266.326 where: short stacking energy: -141.044 Base-Backbone interact. energy: -0.892 local terms energy: -215.576243 where: bonds (distance) C4'-P energy: -44.250 bonds (distance) P-C4' energy: -49.543 flat angles C4'-P-C4' energy: -61.462 flat angles P-C4'-P energy: -35.987 tors. eta vs tors. theta energy: -24.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -265.834418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.834418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.834418 (E_RNA) where: Base-Base interactions energy: -92.598 where: short stacking energy: -59.678 Base-Backbone interact. energy: -1.157 local terms energy: -172.078906 where: bonds (distance) C4'-P energy: -53.126 bonds (distance) P-C4' energy: -54.436 flat angles C4'-P-C4' energy: -48.019 flat angles P-C4'-P energy: -28.188 tors. eta vs tors. theta energy: 11.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1147.666784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.666784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.666784 (E_RNA) where: Base-Base interactions energy: -802.373 where: short stacking energy: -324.205 Base-Backbone interact. energy: -1.349 local terms energy: -343.944780 where: bonds (distance) C4'-P energy: -65.787 bonds (distance) P-C4' energy: -68.041 flat angles C4'-P-C4' energy: -72.388 flat angles P-C4'-P energy: -46.379 tors. eta vs tors. theta energy: -91.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1138.727308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.727308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.727308 (E_RNA) where: Base-Base interactions energy: -799.823 where: short stacking energy: -300.923 Base-Backbone interact. energy: -0.782 local terms energy: -338.122469 where: bonds (distance) C4'-P energy: -69.317 bonds (distance) P-C4' energy: -64.188 flat angles C4'-P-C4' energy: -72.275 flat angles P-C4'-P energy: -44.135 tors. eta vs tors. theta energy: -88.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1058.972244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.972244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.972244 (E_RNA) where: Base-Base interactions energy: -739.982 where: short stacking energy: -290.329 Base-Backbone interact. energy: -2.521 local terms energy: -316.469201 where: bonds (distance) C4'-P energy: -60.596 bonds (distance) P-C4' energy: -65.358 flat angles C4'-P-C4' energy: -68.516 flat angles P-C4'-P energy: -33.924 tors. eta vs tors. theta energy: -88.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -998.054945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.054945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.054945 (E_RNA) where: Base-Base interactions energy: -693.706 where: short stacking energy: -273.626 Base-Backbone interact. energy: -1.904 local terms energy: -302.445237 where: bonds (distance) C4'-P energy: -56.710 bonds (distance) P-C4' energy: -55.663 flat angles C4'-P-C4' energy: -68.204 flat angles P-C4'-P energy: -39.333 tors. eta vs tors. theta energy: -82.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -934.863683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.863683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.863683 (E_RNA) where: Base-Base interactions energy: -622.170 where: short stacking energy: -267.086 Base-Backbone interact. energy: -2.038 local terms energy: -310.655110 where: bonds (distance) C4'-P energy: -62.901 bonds (distance) P-C4' energy: -62.198 flat angles C4'-P-C4' energy: -62.099 flat angles P-C4'-P energy: -43.922 tors. eta vs tors. theta energy: -79.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -855.813625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.813625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.813625 (E_RNA) where: Base-Base interactions energy: -580.190 where: short stacking energy: -256.684 Base-Backbone interact. energy: -1.641 local terms energy: -273.982670 where: bonds (distance) C4'-P energy: -54.170 bonds (distance) P-C4' energy: -56.371 flat angles C4'-P-C4' energy: -58.335 flat angles P-C4'-P energy: -38.454 tors. eta vs tors. theta energy: -66.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -752.099467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.099467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.099467 (E_RNA) where: Base-Base interactions energy: -477.058 where: short stacking energy: -233.805 Base-Backbone interact. energy: -1.473 local terms energy: -273.568289 where: bonds (distance) C4'-P energy: -47.824 bonds (distance) P-C4' energy: -60.668 flat angles C4'-P-C4' energy: -60.292 flat angles P-C4'-P energy: -38.634 tors. eta vs tors. theta energy: -66.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -549.263328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.263328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.263328 (E_RNA) where: Base-Base interactions energy: -329.255 where: short stacking energy: -164.501 Base-Backbone interact. energy: 1.816 local terms energy: -221.824391 where: bonds (distance) C4'-P energy: -61.064 bonds (distance) P-C4' energy: -59.842 flat angles C4'-P-C4' energy: -38.176 flat angles P-C4'-P energy: -26.060 tors. eta vs tors. theta energy: -36.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -445.989781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.989781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.989781 (E_RNA) where: Base-Base interactions energy: -234.224 where: short stacking energy: -133.242 Base-Backbone interact. energy: -0.754 local terms energy: -211.011423 where: bonds (distance) C4'-P energy: -59.097 bonds (distance) P-C4' energy: -49.033 flat angles C4'-P-C4' energy: -57.162 flat angles P-C4'-P energy: -31.865 tors. eta vs tors. theta energy: -13.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -268.404636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.404636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.404636 (E_RNA) where: Base-Base interactions energy: -78.160 where: short stacking energy: -65.110 Base-Backbone interact. energy: -0.719 local terms energy: -189.525561 where: bonds (distance) C4'-P energy: -63.093 bonds (distance) P-C4' energy: -53.343 flat angles C4'-P-C4' energy: -45.018 flat angles P-C4'-P energy: -32.765 tors. eta vs tors. theta energy: 4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1138.071680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.071680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.071680 (E_RNA) where: Base-Base interactions energy: -805.699 where: short stacking energy: -340.282 Base-Backbone interact. energy: -0.726 local terms energy: -331.646869 where: bonds (distance) C4'-P energy: -57.689 bonds (distance) P-C4' energy: -58.480 flat angles C4'-P-C4' energy: -71.778 flat angles P-C4'-P energy: -48.112 tors. eta vs tors. theta energy: -95.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1130.446703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.446703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.446703 (E_RNA) where: Base-Base interactions energy: -805.979 where: short stacking energy: -299.367 Base-Backbone interact. energy: -2.449 local terms energy: -322.018001 where: bonds (distance) C4'-P energy: -62.960 bonds (distance) P-C4' energy: -60.353 flat angles C4'-P-C4' energy: -64.555 flat angles P-C4'-P energy: -45.199 tors. eta vs tors. theta energy: -88.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1046.411247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.411247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.411247 (E_RNA) where: Base-Base interactions energy: -740.119 where: short stacking energy: -294.000 Base-Backbone interact. energy: -0.840 local terms energy: -305.452376 where: bonds (distance) C4'-P energy: -47.897 bonds (distance) P-C4' energy: -58.775 flat angles C4'-P-C4' energy: -69.051 flat angles P-C4'-P energy: -41.232 tors. eta vs tors. theta energy: -88.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1008.864579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.864579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.864579 (E_RNA) where: Base-Base interactions energy: -700.636 where: short stacking energy: -285.746 Base-Backbone interact. energy: -1.950 local terms energy: -306.278381 where: bonds (distance) C4'-P energy: -46.228 bonds (distance) P-C4' energy: -60.590 flat angles C4'-P-C4' energy: -65.477 flat angles P-C4'-P energy: -46.137 tors. eta vs tors. theta energy: -87.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -946.384220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.384220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.384220 (E_RNA) where: Base-Base interactions energy: -637.580 where: short stacking energy: -287.558 Base-Backbone interact. energy: -0.717 local terms energy: -308.087365 where: bonds (distance) C4'-P energy: -57.858 bonds (distance) P-C4' energy: -51.245 flat angles C4'-P-C4' energy: -67.281 flat angles P-C4'-P energy: -43.982 tors. eta vs tors. theta energy: -87.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -819.696001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.696001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.696001 (E_RNA) where: Base-Base interactions energy: -539.637 where: short stacking energy: -234.435 Base-Backbone interact. energy: -0.443 local terms energy: -279.616183 where: bonds (distance) C4'-P energy: -57.003 bonds (distance) P-C4' energy: -71.013 flat angles C4'-P-C4' energy: -54.666 flat angles P-C4'-P energy: -36.490 tors. eta vs tors. theta energy: -60.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -722.648017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.648017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.648017 (E_RNA) where: Base-Base interactions energy: -467.841 where: short stacking energy: -224.065 Base-Backbone interact. energy: -1.686 local terms energy: -253.120927 where: bonds (distance) C4'-P energy: -48.313 bonds (distance) P-C4' energy: -44.113 flat angles C4'-P-C4' energy: -66.895 flat angles P-C4'-P energy: -38.692 tors. eta vs tors. theta energy: -55.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -575.970570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.970570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.970570 (E_RNA) where: Base-Base interactions energy: -345.651 where: short stacking energy: -153.043 Base-Backbone interact. energy: 1.283 local terms energy: -231.602645 where: bonds (distance) C4'-P energy: -58.608 bonds (distance) P-C4' energy: -62.930 flat angles C4'-P-C4' energy: -51.485 flat angles P-C4'-P energy: -32.393 tors. eta vs tors. theta energy: -26.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -451.833221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.833221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.833221 (E_RNA) where: Base-Base interactions energy: -244.193 where: short stacking energy: -133.614 Base-Backbone interact. energy: -1.706 local terms energy: -205.933760 where: bonds (distance) C4'-P energy: -51.340 bonds (distance) P-C4' energy: -52.153 flat angles C4'-P-C4' energy: -58.533 flat angles P-C4'-P energy: -22.741 tors. eta vs tors. theta energy: -21.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -296.911754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.911754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.911754 (E_RNA) where: Base-Base interactions energy: -130.584 where: short stacking energy: -81.551 Base-Backbone interact. energy: -1.964 local terms energy: -164.363547 where: bonds (distance) C4'-P energy: -48.635 bonds (distance) P-C4' energy: -43.221 flat angles C4'-P-C4' energy: -52.250 flat angles P-C4'-P energy: -27.263 tors. eta vs tors. theta energy: 7.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1131.774622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.774622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.774622 (E_RNA) where: Base-Base interactions energy: -776.530 where: short stacking energy: -327.307 Base-Backbone interact. energy: -0.853 local terms energy: -354.390860 where: bonds (distance) C4'-P energy: -66.682 bonds (distance) P-C4' energy: -69.196 flat angles C4'-P-C4' energy: -77.217 flat angles P-C4'-P energy: -48.144 tors. eta vs tors. theta energy: -93.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1132.491560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.491560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.491560 (E_RNA) where: Base-Base interactions energy: -797.997 where: short stacking energy: -301.503 Base-Backbone interact. energy: -1.312 local terms energy: -333.182346 where: bonds (distance) C4'-P energy: -60.025 bonds (distance) P-C4' energy: -63.533 flat angles C4'-P-C4' energy: -75.053 flat angles P-C4'-P energy: -51.941 tors. eta vs tors. theta energy: -82.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1057.540975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.540975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.540975 (E_RNA) where: Base-Base interactions energy: -754.092 where: short stacking energy: -323.525 Base-Backbone interact. energy: -1.632 local terms energy: -301.817058 where: bonds (distance) C4'-P energy: -56.953 bonds (distance) P-C4' energy: -51.445 flat angles C4'-P-C4' energy: -63.130 flat angles P-C4'-P energy: -36.061 tors. eta vs tors. theta energy: -94.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -974.202312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.202312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.202312 (E_RNA) where: Base-Base interactions energy: -673.791 where: short stacking energy: -261.193 Base-Backbone interact. energy: 0.401 local terms energy: -300.812303 where: bonds (distance) C4'-P energy: -57.292 bonds (distance) P-C4' energy: -65.958 flat angles C4'-P-C4' energy: -56.660 flat angles P-C4'-P energy: -44.828 tors. eta vs tors. theta energy: -76.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -957.928888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.928888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.928888 (E_RNA) where: Base-Base interactions energy: -636.139 where: short stacking energy: -285.944 Base-Backbone interact. energy: -1.386 local terms energy: -320.404155 where: bonds (distance) C4'-P energy: -65.152 bonds (distance) P-C4' energy: -59.288 flat angles C4'-P-C4' energy: -69.109 flat angles P-C4'-P energy: -42.857 tors. eta vs tors. theta energy: -83.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -865.458968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.458968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.458968 (E_RNA) where: Base-Base interactions energy: -567.021 where: short stacking energy: -275.024 Base-Backbone interact. energy: -1.733 local terms energy: -296.704275 where: bonds (distance) C4'-P energy: -57.282 bonds (distance) P-C4' energy: -67.054 flat angles C4'-P-C4' energy: -60.811 flat angles P-C4'-P energy: -41.706 tors. eta vs tors. theta energy: -69.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -735.727721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.727721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.727721 (E_RNA) where: Base-Base interactions energy: -498.601 where: short stacking energy: -224.157 Base-Backbone interact. energy: -0.653 local terms energy: -236.474240 where: bonds (distance) C4'-P energy: -50.212 bonds (distance) P-C4' energy: -52.058 flat angles C4'-P-C4' energy: -45.781 flat angles P-C4'-P energy: -34.289 tors. eta vs tors. theta energy: -54.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -480.836926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.836926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.836926 (E_RNA) where: Base-Base interactions energy: -270.865 where: short stacking energy: -134.848 Base-Backbone interact. energy: 0.165 local terms energy: -210.136515 where: bonds (distance) C4'-P energy: -56.019 bonds (distance) P-C4' energy: -51.402 flat angles C4'-P-C4' energy: -51.841 flat angles P-C4'-P energy: -35.025 tors. eta vs tors. theta energy: -15.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -525.599292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.599292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.599292 (E_RNA) where: Base-Base interactions energy: -323.755 where: short stacking energy: -135.560 Base-Backbone interact. energy: 0.492 local terms energy: -202.335945 where: bonds (distance) C4'-P energy: -54.262 bonds (distance) P-C4' energy: -51.307 flat angles C4'-P-C4' energy: -41.188 flat angles P-C4'-P energy: -40.359 tors. eta vs tors. theta energy: -15.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -333.046520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.046520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.046520 (E_RNA) where: Base-Base interactions energy: -166.506 where: short stacking energy: -105.097 Base-Backbone interact. energy: 0.861 local terms energy: -167.402261 where: bonds (distance) C4'-P energy: -55.049 bonds (distance) P-C4' energy: -42.301 flat angles C4'-P-C4' energy: -42.602 flat angles P-C4'-P energy: -34.565 tors. eta vs tors. theta energy: 7.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1164.954616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.954616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.954616 (E_RNA) where: Base-Base interactions energy: -814.985 where: short stacking energy: -316.649 Base-Backbone interact. energy: -3.266 local terms energy: -346.703143 where: bonds (distance) C4'-P energy: -62.748 bonds (distance) P-C4' energy: -76.103 flat angles C4'-P-C4' energy: -75.742 flat angles P-C4'-P energy: -44.745 tors. eta vs tors. theta energy: -87.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1123.256533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.256533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.256533 (E_RNA) where: Base-Base interactions energy: -784.801 where: short stacking energy: -321.250 Base-Backbone interact. energy: -0.816 local terms energy: -337.639244 where: bonds (distance) C4'-P energy: -52.736 bonds (distance) P-C4' energy: -65.091 flat angles C4'-P-C4' energy: -72.471 flat angles P-C4'-P energy: -49.975 tors. eta vs tors. theta energy: -97.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1064.878427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.878427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.878427 (E_RNA) where: Base-Base interactions energy: -730.085 where: short stacking energy: -312.263 Base-Backbone interact. energy: -1.851 local terms energy: -332.942499 where: bonds (distance) C4'-P energy: -63.794 bonds (distance) P-C4' energy: -65.318 flat angles C4'-P-C4' energy: -72.001 flat angles P-C4'-P energy: -40.529 tors. eta vs tors. theta energy: -91.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -955.045199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.045199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.045199 (E_RNA) where: Base-Base interactions energy: -652.711 where: short stacking energy: -279.952 Base-Backbone interact. energy: -0.216 local terms energy: -302.118584 where: bonds (distance) C4'-P energy: -58.368 bonds (distance) P-C4' energy: -60.931 flat angles C4'-P-C4' energy: -69.211 flat angles P-C4'-P energy: -40.782 tors. eta vs tors. theta energy: -72.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -917.980129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.980129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.980129 (E_RNA) where: Base-Base interactions energy: -619.391 where: short stacking energy: -267.708 Base-Backbone interact. energy: -1.064 local terms energy: -297.525133 where: bonds (distance) C4'-P energy: -54.957 bonds (distance) P-C4' energy: -64.400 flat angles C4'-P-C4' energy: -57.223 flat angles P-C4'-P energy: -37.789 tors. eta vs tors. theta energy: -83.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -824.550525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.550525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.550525 (E_RNA) where: Base-Base interactions energy: -549.932 where: short stacking energy: -241.729 Base-Backbone interact. energy: -1.350 local terms energy: -273.268437 where: bonds (distance) C4'-P energy: -49.243 bonds (distance) P-C4' energy: -54.380 flat angles C4'-P-C4' energy: -62.970 flat angles P-C4'-P energy: -38.633 tors. eta vs tors. theta energy: -68.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -735.552842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.552842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.552842 (E_RNA) where: Base-Base interactions energy: -476.186 where: short stacking energy: -236.729 Base-Backbone interact. energy: -0.251 local terms energy: -259.115978 where: bonds (distance) C4'-P energy: -56.568 bonds (distance) P-C4' energy: -54.676 flat angles C4'-P-C4' energy: -50.865 flat angles P-C4'-P energy: -40.006 tors. eta vs tors. theta energy: -57.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -544.919144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.919144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.919144 (E_RNA) where: Base-Base interactions energy: -305.551 where: short stacking energy: -167.812 Base-Backbone interact. energy: -1.511 local terms energy: -237.857091 where: bonds (distance) C4'-P energy: -52.007 bonds (distance) P-C4' energy: -61.831 flat angles C4'-P-C4' energy: -53.760 flat angles P-C4'-P energy: -31.540 tors. eta vs tors. theta energy: -38.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -547.995075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.995075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.995075 (E_RNA) where: Base-Base interactions energy: -327.364 where: short stacking energy: -143.281 Base-Backbone interact. energy: -3.141 local terms energy: -217.490463 where: bonds (distance) C4'-P energy: -58.423 bonds (distance) P-C4' energy: -53.805 flat angles C4'-P-C4' energy: -45.138 flat angles P-C4'-P energy: -40.333 tors. eta vs tors. theta energy: -19.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -336.623349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.623349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.623349 (E_RNA) where: Base-Base interactions energy: -164.713 where: short stacking energy: -91.486 Base-Backbone interact. energy: 0.941 local terms energy: -172.850759 where: bonds (distance) C4'-P energy: -48.162 bonds (distance) P-C4' energy: -53.431 flat angles C4'-P-C4' energy: -45.119 flat angles P-C4'-P energy: -20.020 tors. eta vs tors. theta energy: -6.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1148.038800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.038800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.038800 (E_RNA) where: Base-Base interactions energy: -799.132 where: short stacking energy: -317.306 Base-Backbone interact. energy: -0.880 local terms energy: -348.026948 where: bonds (distance) C4'-P energy: -62.860 bonds (distance) P-C4' energy: -70.849 flat angles C4'-P-C4' energy: -77.475 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -87.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1119.102213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.102213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.102213 (E_RNA) where: Base-Base interactions energy: -772.482 where: short stacking energy: -315.016 Base-Backbone interact. energy: -1.790 local terms energy: -344.830166 where: bonds (distance) C4'-P energy: -63.409 bonds (distance) P-C4' energy: -65.101 flat angles C4'-P-C4' energy: -76.915 flat angles P-C4'-P energy: -47.261 tors. eta vs tors. theta energy: -92.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1045.921770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.921770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.921770 (E_RNA) where: Base-Base interactions energy: -725.200 where: short stacking energy: -305.690 Base-Backbone interact. energy: -0.414 local terms energy: -320.308100 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -67.885 flat angles C4'-P-C4' energy: -60.806 flat angles P-C4'-P energy: -39.928 tors. eta vs tors. theta energy: -92.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1022.004454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.004454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.004454 (E_RNA) where: Base-Base interactions energy: -696.962 where: short stacking energy: -288.177 Base-Backbone interact. energy: -0.187 local terms energy: -324.855721 where: bonds (distance) C4'-P energy: -63.620 bonds (distance) P-C4' energy: -65.563 flat angles C4'-P-C4' energy: -70.974 flat angles P-C4'-P energy: -39.690 tors. eta vs tors. theta energy: -85.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -917.867431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.867431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.867431 (E_RNA) where: Base-Base interactions energy: -606.515 where: short stacking energy: -277.895 Base-Backbone interact. energy: -2.421 local terms energy: -308.930775 where: bonds (distance) C4'-P energy: -59.056 bonds (distance) P-C4' energy: -55.765 flat angles C4'-P-C4' energy: -70.858 flat angles P-C4'-P energy: -45.104 tors. eta vs tors. theta energy: -78.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -815.011871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.011871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.011871 (E_RNA) where: Base-Base interactions energy: -518.534 where: short stacking energy: -235.284 Base-Backbone interact. energy: -3.149 local terms energy: -293.328395 where: bonds (distance) C4'-P energy: -56.359 bonds (distance) P-C4' energy: -61.741 flat angles C4'-P-C4' energy: -65.011 flat angles P-C4'-P energy: -52.221 tors. eta vs tors. theta energy: -57.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -731.374294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.374294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.374294 (E_RNA) where: Base-Base interactions energy: -465.824 where: short stacking energy: -220.192 Base-Backbone interact. energy: 0.272 local terms energy: -265.822809 where: bonds (distance) C4'-P energy: -63.330 bonds (distance) P-C4' energy: -55.481 flat angles C4'-P-C4' energy: -61.787 flat angles P-C4'-P energy: -40.295 tors. eta vs tors. theta energy: -44.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -575.818348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.818348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.818348 (E_RNA) where: Base-Base interactions energy: -356.532 where: short stacking energy: -154.307 Base-Backbone interact. energy: 1.426 local terms energy: -220.711905 where: bonds (distance) C4'-P energy: -60.683 bonds (distance) P-C4' energy: -65.582 flat angles C4'-P-C4' energy: -53.023 flat angles P-C4'-P energy: -23.830 tors. eta vs tors. theta energy: -17.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -507.157087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.157087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.157087 (E_RNA) where: Base-Base interactions energy: -284.528 where: short stacking energy: -147.866 Base-Backbone interact. energy: 1.126 local terms energy: -223.754681 where: bonds (distance) C4'-P energy: -61.195 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -54.426 flat angles P-C4'-P energy: -25.891 tors. eta vs tors. theta energy: -24.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -257.644102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.644102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.644102 (E_RNA) where: Base-Base interactions energy: -82.544 where: short stacking energy: -72.281 Base-Backbone interact. energy: -0.326 local terms energy: -174.774000 where: bonds (distance) C4'-P energy: -56.440 bonds (distance) P-C4' energy: -54.598 flat angles C4'-P-C4' energy: -51.734 flat angles P-C4'-P energy: -19.940 tors. eta vs tors. theta energy: 7.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1141.555854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.555854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.555854 (E_RNA) where: Base-Base interactions energy: -797.266 where: short stacking energy: -337.885 Base-Backbone interact. energy: -0.308 local terms energy: -343.981232 where: bonds (distance) C4'-P energy: -63.036 bonds (distance) P-C4' energy: -64.606 flat angles C4'-P-C4' energy: -65.874 flat angles P-C4'-P energy: -52.595 tors. eta vs tors. theta energy: -97.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1136.716286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.716286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.716286 (E_RNA) where: Base-Base interactions energy: -808.220 where: short stacking energy: -310.948 Base-Backbone interact. energy: -0.377 local terms energy: -328.119370 where: bonds (distance) C4'-P energy: -52.985 bonds (distance) P-C4' energy: -64.724 flat angles C4'-P-C4' energy: -73.669 flat angles P-C4'-P energy: -53.365 tors. eta vs tors. theta energy: -83.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1027.834571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.834571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.834571 (E_RNA) where: Base-Base interactions energy: -688.117 where: short stacking energy: -294.728 Base-Backbone interact. energy: -2.051 local terms energy: -337.666607 where: bonds (distance) C4'-P energy: -60.974 bonds (distance) P-C4' energy: -60.855 flat angles C4'-P-C4' energy: -65.963 flat angles P-C4'-P energy: -59.494 tors. eta vs tors. theta energy: -90.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1007.651526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.651526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.651526 (E_RNA) where: Base-Base interactions energy: -689.522 where: short stacking energy: -284.102 Base-Backbone interact. energy: 0.406 local terms energy: -318.535150 where: bonds (distance) C4'-P energy: -59.564 bonds (distance) P-C4' energy: -57.480 flat angles C4'-P-C4' energy: -66.501 flat angles P-C4'-P energy: -47.755 tors. eta vs tors. theta energy: -87.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -912.461750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.461750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.461750 (E_RNA) where: Base-Base interactions energy: -597.590 where: short stacking energy: -265.850 Base-Backbone interact. energy: -0.559 local terms energy: -314.313188 where: bonds (distance) C4'-P energy: -60.042 bonds (distance) P-C4' energy: -67.200 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -37.541 tors. eta vs tors. theta energy: -78.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -859.160112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.160112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.160112 (E_RNA) where: Base-Base interactions energy: -551.521 where: short stacking energy: -260.956 Base-Backbone interact. energy: -0.288 local terms energy: -307.351634 where: bonds (distance) C4'-P energy: -61.562 bonds (distance) P-C4' energy: -68.513 flat angles C4'-P-C4' energy: -64.567 flat angles P-C4'-P energy: -45.554 tors. eta vs tors. theta energy: -67.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -746.380556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.380556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.380556 (E_RNA) where: Base-Base interactions energy: -486.655 where: short stacking energy: -227.314 Base-Backbone interact. energy: -0.426 local terms energy: -259.298886 where: bonds (distance) C4'-P energy: -51.304 bonds (distance) P-C4' energy: -52.628 flat angles C4'-P-C4' energy: -53.189 flat angles P-C4'-P energy: -49.086 tors. eta vs tors. theta energy: -53.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -576.819159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.819159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.819159 (E_RNA) where: Base-Base interactions energy: -343.053 where: short stacking energy: -148.451 Base-Backbone interact. energy: -0.803 local terms energy: -232.962873 where: bonds (distance) C4'-P energy: -52.631 bonds (distance) P-C4' energy: -59.751 flat angles C4'-P-C4' energy: -50.640 flat angles P-C4'-P energy: -43.622 tors. eta vs tors. theta energy: -26.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -472.195256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.195256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.195256 (E_RNA) where: Base-Base interactions energy: -272.668 where: short stacking energy: -148.108 Base-Backbone interact. energy: -0.938 local terms energy: -198.588634 where: bonds (distance) C4'-P energy: -42.754 bonds (distance) P-C4' energy: -51.331 flat angles C4'-P-C4' energy: -54.074 flat angles P-C4'-P energy: -34.861 tors. eta vs tors. theta energy: -15.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -265.949802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.949802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.949802 (E_RNA) where: Base-Base interactions energy: -83.742 where: short stacking energy: -79.041 Base-Backbone interact. energy: -0.613 local terms energy: -181.595097 where: bonds (distance) C4'-P energy: -47.970 bonds (distance) P-C4' energy: -61.054 flat angles C4'-P-C4' energy: -51.407 flat angles P-C4'-P energy: -28.850 tors. eta vs tors. theta energy: 7.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1130.937765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.937765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.937765 (E_RNA) where: Base-Base interactions energy: -784.732 where: short stacking energy: -322.544 Base-Backbone interact. energy: -1.484 local terms energy: -344.722484 where: bonds (distance) C4'-P energy: -68.411 bonds (distance) P-C4' energy: -70.867 flat angles C4'-P-C4' energy: -68.235 flat angles P-C4'-P energy: -45.025 tors. eta vs tors. theta energy: -92.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1127.152757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.152757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.152757 (E_RNA) where: Base-Base interactions energy: -798.561 where: short stacking energy: -304.352 Base-Backbone interact. energy: -1.048 local terms energy: -327.543877 where: bonds (distance) C4'-P energy: -56.945 bonds (distance) P-C4' energy: -60.915 flat angles C4'-P-C4' energy: -75.001 flat angles P-C4'-P energy: -48.436 tors. eta vs tors. theta energy: -86.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1045.554500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.554500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.554500 (E_RNA) where: Base-Base interactions energy: -729.521 where: short stacking energy: -314.639 Base-Backbone interact. energy: -0.219 local terms energy: -315.814681 where: bonds (distance) C4'-P energy: -58.194 bonds (distance) P-C4' energy: -59.213 flat angles C4'-P-C4' energy: -65.713 flat angles P-C4'-P energy: -46.490 tors. eta vs tors. theta energy: -86.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -975.725645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.725645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.725645 (E_RNA) where: Base-Base interactions energy: -669.264 where: short stacking energy: -286.988 Base-Backbone interact. energy: -0.150 local terms energy: -306.312446 where: bonds (distance) C4'-P energy: -62.045 bonds (distance) P-C4' energy: -51.988 flat angles C4'-P-C4' energy: -67.487 flat angles P-C4'-P energy: -35.883 tors. eta vs tors. theta energy: -88.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -939.713252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.713252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.713252 (E_RNA) where: Base-Base interactions energy: -633.135 where: short stacking energy: -287.641 Base-Backbone interact. energy: -1.672 local terms energy: -304.906145 where: bonds (distance) C4'-P energy: -57.663 bonds (distance) P-C4' energy: -43.514 flat angles C4'-P-C4' energy: -71.849 flat angles P-C4'-P energy: -44.184 tors. eta vs tors. theta energy: -87.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -766.457225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.457225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.457225 (E_RNA) where: Base-Base interactions energy: -481.949 where: short stacking energy: -243.714 Base-Backbone interact. energy: -0.932 local terms energy: -283.575418 where: bonds (distance) C4'-P energy: -55.472 bonds (distance) P-C4' energy: -59.891 flat angles C4'-P-C4' energy: -69.736 flat angles P-C4'-P energy: -36.251 tors. eta vs tors. theta energy: -62.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -838.478912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.478912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.478912 (E_RNA) where: Base-Base interactions energy: -558.072 where: short stacking energy: -250.222 Base-Backbone interact. energy: 0.241 local terms energy: -280.648607 where: bonds (distance) C4'-P energy: -63.623 bonds (distance) P-C4' energy: -44.798 flat angles C4'-P-C4' energy: -60.333 flat angles P-C4'-P energy: -44.754 tors. eta vs tors. theta energy: -67.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -569.659611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.659611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.659611 (E_RNA) where: Base-Base interactions energy: -353.461 where: short stacking energy: -190.367 Base-Backbone interact. energy: 0.310 local terms energy: -216.508002 where: bonds (distance) C4'-P energy: -46.751 bonds (distance) P-C4' energy: -67.191 flat angles C4'-P-C4' energy: -45.738 flat angles P-C4'-P energy: -36.275 tors. eta vs tors. theta energy: -20.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -504.269963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.269963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.269963 (E_RNA) where: Base-Base interactions energy: -274.077 where: short stacking energy: -155.173 Base-Backbone interact. energy: 3.479 local terms energy: -233.671579 where: bonds (distance) C4'-P energy: -58.538 bonds (distance) P-C4' energy: -61.052 flat angles C4'-P-C4' energy: -58.795 flat angles P-C4'-P energy: -25.423 tors. eta vs tors. theta energy: -29.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -288.590960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.590960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.590960 (E_RNA) where: Base-Base interactions energy: -121.769 where: short stacking energy: -101.946 Base-Backbone interact. energy: 8.029 local terms energy: -174.851506 where: bonds (distance) C4'-P energy: -52.372 bonds (distance) P-C4' energy: -45.158 flat angles C4'-P-C4' energy: -37.812 flat angles P-C4'-P energy: -36.088 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1134.287662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.287662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.287662 (E_RNA) where: Base-Base interactions energy: -815.534 where: short stacking energy: -306.220 Base-Backbone interact. energy: -0.302 local terms energy: -318.451685 where: bonds (distance) C4'-P energy: -63.507 bonds (distance) P-C4' energy: -63.435 flat angles C4'-P-C4' energy: -66.028 flat angles P-C4'-P energy: -42.694 tors. eta vs tors. theta energy: -82.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1115.945233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.945233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.945233 (E_RNA) where: Base-Base interactions energy: -779.130 where: short stacking energy: -325.468 Base-Backbone interact. energy: -0.621 local terms energy: -336.194112 where: bonds (distance) C4'-P energy: -63.870 bonds (distance) P-C4' energy: -66.264 flat angles C4'-P-C4' energy: -62.759 flat angles P-C4'-P energy: -51.527 tors. eta vs tors. theta energy: -91.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1033.753074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.753074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.753074 (E_RNA) where: Base-Base interactions energy: -711.271 where: short stacking energy: -294.800 Base-Backbone interact. energy: -1.448 local terms energy: -321.033954 where: bonds (distance) C4'-P energy: -61.791 bonds (distance) P-C4' energy: -57.298 flat angles C4'-P-C4' energy: -69.538 flat angles P-C4'-P energy: -42.398 tors. eta vs tors. theta energy: -90.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -979.477211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.477211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.477211 (E_RNA) where: Base-Base interactions energy: -680.429 where: short stacking energy: -283.630 Base-Backbone interact. energy: 0.052 local terms energy: -299.100042 where: bonds (distance) C4'-P energy: -57.904 bonds (distance) P-C4' energy: -64.996 flat angles C4'-P-C4' energy: -57.830 flat angles P-C4'-P energy: -31.751 tors. eta vs tors. theta energy: -86.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -914.340234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.340234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.340234 (E_RNA) where: Base-Base interactions energy: -600.649 where: short stacking energy: -265.149 Base-Backbone interact. energy: -1.328 local terms energy: -312.363525 where: bonds (distance) C4'-P energy: -59.516 bonds (distance) P-C4' energy: -62.654 flat angles C4'-P-C4' energy: -73.475 flat angles P-C4'-P energy: -34.943 tors. eta vs tors. theta energy: -81.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -759.597445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.597445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.597445 (E_RNA) where: Base-Base interactions energy: -497.408 where: short stacking energy: -226.208 Base-Backbone interact. energy: -0.674 local terms energy: -261.515763 where: bonds (distance) C4'-P energy: -50.527 bonds (distance) P-C4' energy: -58.554 flat angles C4'-P-C4' energy: -54.945 flat angles P-C4'-P energy: -48.935 tors. eta vs tors. theta energy: -48.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -794.216868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.216868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.216868 (E_RNA) where: Base-Base interactions energy: -537.048 where: short stacking energy: -235.410 Base-Backbone interact. energy: 2.753 local terms energy: -259.921276 where: bonds (distance) C4'-P energy: -43.504 bonds (distance) P-C4' energy: -57.428 flat angles C4'-P-C4' energy: -61.875 flat angles P-C4'-P energy: -45.129 tors. eta vs tors. theta energy: -51.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -544.571587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.571587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.571587 (E_RNA) where: Base-Base interactions energy: -315.827 where: short stacking energy: -166.157 Base-Backbone interact. energy: -1.613 local terms energy: -227.131899 where: bonds (distance) C4'-P energy: -56.904 bonds (distance) P-C4' energy: -51.728 flat angles C4'-P-C4' energy: -49.049 flat angles P-C4'-P energy: -35.767 tors. eta vs tors. theta energy: -33.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -478.083142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.083142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.083142 (E_RNA) where: Base-Base interactions energy: -265.443 where: short stacking energy: -154.959 Base-Backbone interact. energy: -0.630 local terms energy: -212.010144 where: bonds (distance) C4'-P energy: -46.037 bonds (distance) P-C4' energy: -54.845 flat angles C4'-P-C4' energy: -48.096 flat angles P-C4'-P energy: -38.449 tors. eta vs tors. theta energy: -24.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -286.177671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.177671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.177671 (E_RNA) where: Base-Base interactions energy: -110.464 where: short stacking energy: -73.711 Base-Backbone interact. energy: -2.481 local terms energy: -173.232508 where: bonds (distance) C4'-P energy: -51.173 bonds (distance) P-C4' energy: -47.504 flat angles C4'-P-C4' energy: -45.482 flat angles P-C4'-P energy: -40.358 tors. eta vs tors. theta energy: 11.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1176.275388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.275388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.275388 (E_RNA) where: Base-Base interactions energy: -830.276 where: short stacking energy: -329.482 Base-Backbone interact. energy: -2.673 local terms energy: -343.325908 where: bonds (distance) C4'-P energy: -64.414 bonds (distance) P-C4' energy: -71.550 flat angles C4'-P-C4' energy: -67.116 flat angles P-C4'-P energy: -46.439 tors. eta vs tors. theta energy: -93.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1107.546424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.546424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.546424 (E_RNA) where: Base-Base interactions energy: -756.402 where: short stacking energy: -322.110 Base-Backbone interact. energy: -3.454 local terms energy: -347.690497 where: bonds (distance) C4'-P energy: -68.786 bonds (distance) P-C4' energy: -64.783 flat angles C4'-P-C4' energy: -71.075 flat angles P-C4'-P energy: -49.131 tors. eta vs tors. theta energy: -93.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1019.267407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.267407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.267407 (E_RNA) where: Base-Base interactions energy: -696.981 where: short stacking energy: -291.432 Base-Backbone interact. energy: 0.305 local terms energy: -322.592034 where: bonds (distance) C4'-P energy: -73.381 bonds (distance) P-C4' energy: -52.192 flat angles C4'-P-C4' energy: -67.134 flat angles P-C4'-P energy: -45.776 tors. eta vs tors. theta energy: -84.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -980.384193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.384193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.384193 (E_RNA) where: Base-Base interactions energy: -676.891 where: short stacking energy: -274.962 Base-Backbone interact. energy: -0.435 local terms energy: -303.057732 where: bonds (distance) C4'-P energy: -59.008 bonds (distance) P-C4' energy: -55.670 flat angles C4'-P-C4' energy: -69.864 flat angles P-C4'-P energy: -42.728 tors. eta vs tors. theta energy: -75.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -910.936895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.936895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.936895 (E_RNA) where: Base-Base interactions energy: -610.189 where: short stacking energy: -264.693 Base-Backbone interact. energy: -0.677 local terms energy: -300.070790 where: bonds (distance) C4'-P energy: -65.440 bonds (distance) P-C4' energy: -60.832 flat angles C4'-P-C4' energy: -56.008 flat angles P-C4'-P energy: -39.912 tors. eta vs tors. theta energy: -77.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -729.601163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.601163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.601163 (E_RNA) where: Base-Base interactions energy: -465.929 where: short stacking energy: -213.469 Base-Backbone interact. energy: -2.264 local terms energy: -261.408506 where: bonds (distance) C4'-P energy: -53.254 bonds (distance) P-C4' energy: -64.790 flat angles C4'-P-C4' energy: -63.090 flat angles P-C4'-P energy: -33.059 tors. eta vs tors. theta energy: -47.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -716.110677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.110677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.110677 (E_RNA) where: Base-Base interactions energy: -452.474 where: short stacking energy: -196.993 Base-Backbone interact. energy: -1.273 local terms energy: -262.364446 where: bonds (distance) C4'-P energy: -53.634 bonds (distance) P-C4' energy: -57.991 flat angles C4'-P-C4' energy: -61.169 flat angles P-C4'-P energy: -38.333 tors. eta vs tors. theta energy: -51.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -526.134663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.134663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.134663 (E_RNA) where: Base-Base interactions energy: -317.688 where: short stacking energy: -164.039 Base-Backbone interact. energy: -0.371 local terms energy: -208.074921 where: bonds (distance) C4'-P energy: -51.437 bonds (distance) P-C4' energy: -50.173 flat angles C4'-P-C4' energy: -44.956 flat angles P-C4'-P energy: -37.273 tors. eta vs tors. theta energy: -24.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -458.417364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.417364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.417364 (E_RNA) where: Base-Base interactions energy: -253.593 where: short stacking energy: -131.795 Base-Backbone interact. energy: 1.611 local terms energy: -206.435380 where: bonds (distance) C4'-P energy: -45.946 bonds (distance) P-C4' energy: -64.436 flat angles C4'-P-C4' energy: -51.437 flat angles P-C4'-P energy: -34.925 tors. eta vs tors. theta energy: -9.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -289.652208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.652208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.652208 (E_RNA) where: Base-Base interactions energy: -108.723 where: short stacking energy: -91.775 Base-Backbone interact. energy: 0.448 local terms energy: -181.376744 where: bonds (distance) C4'-P energy: -52.039 bonds (distance) P-C4' energy: -52.117 flat angles C4'-P-C4' energy: -46.398 flat angles P-C4'-P energy: -41.082 tors. eta vs tors. theta energy: 10.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1160.386930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.386930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.386930 (E_RNA) where: Base-Base interactions energy: -836.229 where: short stacking energy: -322.821 Base-Backbone interact. energy: -1.363 local terms energy: -322.795673 where: bonds (distance) C4'-P energy: -60.668 bonds (distance) P-C4' energy: -70.425 flat angles C4'-P-C4' energy: -67.987 flat angles P-C4'-P energy: -36.475 tors. eta vs tors. theta energy: -87.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1098.372221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.372221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.372221 (E_RNA) where: Base-Base interactions energy: -758.255 where: short stacking energy: -311.150 Base-Backbone interact. energy: -2.698 local terms energy: -337.419451 where: bonds (distance) C4'-P energy: -64.469 bonds (distance) P-C4' energy: -58.837 flat angles C4'-P-C4' energy: -71.845 flat angles P-C4'-P energy: -50.660 tors. eta vs tors. theta energy: -91.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1044.382753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.382753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.382753 (E_RNA) where: Base-Base interactions energy: -728.524 where: short stacking energy: -300.756 Base-Backbone interact. energy: 0.050 local terms energy: -315.907981 where: bonds (distance) C4'-P energy: -61.435 bonds (distance) P-C4' energy: -57.312 flat angles C4'-P-C4' energy: -64.183 flat angles P-C4'-P energy: -43.091 tors. eta vs tors. theta energy: -89.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -956.271544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.271544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.271544 (E_RNA) where: Base-Base interactions energy: -646.671 where: short stacking energy: -265.613 Base-Backbone interact. energy: 1.294 local terms energy: -310.894606 where: bonds (distance) C4'-P energy: -51.343 bonds (distance) P-C4' energy: -71.550 flat angles C4'-P-C4' energy: -69.763 flat angles P-C4'-P energy: -35.185 tors. eta vs tors. theta energy: -83.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -903.417800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.417800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.417800 (E_RNA) where: Base-Base interactions energy: -606.043 where: short stacking energy: -267.423 Base-Backbone interact. energy: -0.536 local terms energy: -296.839159 where: bonds (distance) C4'-P energy: -54.500 bonds (distance) P-C4' energy: -54.997 flat angles C4'-P-C4' energy: -65.356 flat angles P-C4'-P energy: -41.384 tors. eta vs tors. theta energy: -80.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -784.374788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.374788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.374788 (E_RNA) where: Base-Base interactions energy: -508.357 where: short stacking energy: -253.428 Base-Backbone interact. energy: 1.699 local terms energy: -277.716056 where: bonds (distance) C4'-P energy: -58.706 bonds (distance) P-C4' energy: -56.245 flat angles C4'-P-C4' energy: -57.903 flat angles P-C4'-P energy: -35.472 tors. eta vs tors. theta energy: -69.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -738.732373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.732373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.732373 (E_RNA) where: Base-Base interactions energy: -480.630 where: short stacking energy: -209.092 Base-Backbone interact. energy: 4.045 local terms energy: -262.147298 where: bonds (distance) C4'-P energy: -53.629 bonds (distance) P-C4' energy: -56.541 flat angles C4'-P-C4' energy: -62.524 flat angles P-C4'-P energy: -36.038 tors. eta vs tors. theta energy: -53.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -549.144448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.144448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.144448 (E_RNA) where: Base-Base interactions energy: -304.915 where: short stacking energy: -165.312 Base-Backbone interact. energy: -1.332 local terms energy: -242.896798 where: bonds (distance) C4'-P energy: -61.292 bonds (distance) P-C4' energy: -57.265 flat angles C4'-P-C4' energy: -53.950 flat angles P-C4'-P energy: -39.224 tors. eta vs tors. theta energy: -31.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -469.115236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.115236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.115236 (E_RNA) where: Base-Base interactions energy: -267.010 where: short stacking energy: -165.635 Base-Backbone interact. energy: 1.538 local terms energy: -203.642967 where: bonds (distance) C4'-P energy: -41.965 bonds (distance) P-C4' energy: -49.300 flat angles C4'-P-C4' energy: -55.093 flat angles P-C4'-P energy: -29.505 tors. eta vs tors. theta energy: -27.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -291.741976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.741976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.741976 (E_RNA) where: Base-Base interactions energy: -122.103 where: short stacking energy: -75.623 Base-Backbone interact. energy: -1.523 local terms energy: -168.115711 where: bonds (distance) C4'-P energy: -43.487 bonds (distance) P-C4' energy: -61.382 flat angles C4'-P-C4' energy: -45.692 flat angles P-C4'-P energy: -25.752 tors. eta vs tors. theta energy: 8.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1151.418809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.418809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.418809 (E_RNA) where: Base-Base interactions energy: -815.092 where: short stacking energy: -299.408 Base-Backbone interact. energy: 0.311 local terms energy: -336.636876 where: bonds (distance) C4'-P energy: -62.049 bonds (distance) P-C4' energy: -63.638 flat angles C4'-P-C4' energy: -78.440 flat angles P-C4'-P energy: -53.120 tors. eta vs tors. theta energy: -79.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1096.047884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.047884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.047884 (E_RNA) where: Base-Base interactions energy: -766.032 where: short stacking energy: -321.586 Base-Backbone interact. energy: 3.594 local terms energy: -333.610061 where: bonds (distance) C4'-P energy: -60.060 bonds (distance) P-C4' energy: -62.579 flat angles C4'-P-C4' energy: -67.288 flat angles P-C4'-P energy: -55.211 tors. eta vs tors. theta energy: -88.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1047.578576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.578576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.578576 (E_RNA) where: Base-Base interactions energy: -722.808 where: short stacking energy: -301.595 Base-Backbone interact. energy: -1.197 local terms energy: -323.573269 where: bonds (distance) C4'-P energy: -72.083 bonds (distance) P-C4' energy: -53.309 flat angles C4'-P-C4' energy: -68.508 flat angles P-C4'-P energy: -40.290 tors. eta vs tors. theta energy: -89.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -928.251982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.251982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.251982 (E_RNA) where: Base-Base interactions energy: -614.571 where: short stacking energy: -288.059 Base-Backbone interact. energy: -2.471 local terms energy: -311.209876 where: bonds (distance) C4'-P energy: -58.662 bonds (distance) P-C4' energy: -64.724 flat angles C4'-P-C4' energy: -72.139 flat angles P-C4'-P energy: -29.472 tors. eta vs tors. theta energy: -86.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -915.552241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.552241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.552241 (E_RNA) where: Base-Base interactions energy: -625.785 where: short stacking energy: -265.548 Base-Backbone interact. energy: 0.449 local terms energy: -290.216689 where: bonds (distance) C4'-P energy: -58.779 bonds (distance) P-C4' energy: -60.843 flat angles C4'-P-C4' energy: -57.158 flat angles P-C4'-P energy: -37.884 tors. eta vs tors. theta energy: -75.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -810.320015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.320015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.320015 (E_RNA) where: Base-Base interactions energy: -516.179 where: short stacking energy: -253.069 Base-Backbone interact. energy: -0.038 local terms energy: -294.102685 where: bonds (distance) C4'-P energy: -64.043 bonds (distance) P-C4' energy: -58.362 flat angles C4'-P-C4' energy: -72.011 flat angles P-C4'-P energy: -40.406 tors. eta vs tors. theta energy: -59.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -722.899364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.899364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.899364 (E_RNA) where: Base-Base interactions energy: -461.811 where: short stacking energy: -211.028 Base-Backbone interact. energy: 0.307 local terms energy: -261.394463 where: bonds (distance) C4'-P energy: -50.894 bonds (distance) P-C4' energy: -57.046 flat angles C4'-P-C4' energy: -63.053 flat angles P-C4'-P energy: -36.107 tors. eta vs tors. theta energy: -54.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -506.576161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.576161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.576161 (E_RNA) where: Base-Base interactions energy: -285.422 where: short stacking energy: -156.320 Base-Backbone interact. energy: -1.518 local terms energy: -219.636406 where: bonds (distance) C4'-P energy: -52.602 bonds (distance) P-C4' energy: -58.237 flat angles C4'-P-C4' energy: -51.217 flat angles P-C4'-P energy: -25.331 tors. eta vs tors. theta energy: -32.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -488.894700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.894700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.894700 (E_RNA) where: Base-Base interactions energy: -282.644 where: short stacking energy: -145.886 Base-Backbone interact. energy: 2.319 local terms energy: -208.569587 where: bonds (distance) C4'-P energy: -51.240 bonds (distance) P-C4' energy: -44.656 flat angles C4'-P-C4' energy: -44.696 flat angles P-C4'-P energy: -35.640 tors. eta vs tors. theta energy: -32.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -266.725832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.725832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.725832 (E_RNA) where: Base-Base interactions energy: -91.566 where: short stacking energy: -80.765 Base-Backbone interact. energy: -0.634 local terms energy: -174.526280 where: bonds (distance) C4'-P energy: -58.024 bonds (distance) P-C4' energy: -42.895 flat angles C4'-P-C4' energy: -43.981 flat angles P-C4'-P energy: -35.500 tors. eta vs tors. theta energy: 5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1153.116489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.116489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.116489 (E_RNA) where: Base-Base interactions energy: -809.692 where: short stacking energy: -309.231 Base-Backbone interact. energy: -1.694 local terms energy: -341.730633 where: bonds (distance) C4'-P energy: -60.128 bonds (distance) P-C4' energy: -66.145 flat angles C4'-P-C4' energy: -73.727 flat angles P-C4'-P energy: -47.755 tors. eta vs tors. theta energy: -93.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1103.366279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.366279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.366279 (E_RNA) where: Base-Base interactions energy: -756.108 where: short stacking energy: -326.570 Base-Backbone interact. energy: -0.241 local terms energy: -347.017417 where: bonds (distance) C4'-P energy: -61.600 bonds (distance) P-C4' energy: -71.642 flat angles C4'-P-C4' energy: -70.026 flat angles P-C4'-P energy: -48.157 tors. eta vs tors. theta energy: -95.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1042.253008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.253008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.253008 (E_RNA) where: Base-Base interactions energy: -714.465 where: short stacking energy: -280.000 Base-Backbone interact. energy: -1.133 local terms energy: -326.654523 where: bonds (distance) C4'-P energy: -64.684 bonds (distance) P-C4' energy: -58.030 flat angles C4'-P-C4' energy: -66.907 flat angles P-C4'-P energy: -47.238 tors. eta vs tors. theta energy: -89.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -908.596827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.596827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.596827 (E_RNA) where: Base-Base interactions energy: -583.308 where: short stacking energy: -266.678 Base-Backbone interact. energy: -2.015 local terms energy: -323.273813 where: bonds (distance) C4'-P energy: -65.391 bonds (distance) P-C4' energy: -67.274 flat angles C4'-P-C4' energy: -64.558 flat angles P-C4'-P energy: -48.509 tors. eta vs tors. theta energy: -77.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -953.632595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.632595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.632595 (E_RNA) where: Base-Base interactions energy: -653.911 where: short stacking energy: -253.690 Base-Backbone interact. energy: -1.989 local terms energy: -297.732795 where: bonds (distance) C4'-P energy: -58.565 bonds (distance) P-C4' energy: -65.859 flat angles C4'-P-C4' energy: -65.217 flat angles P-C4'-P energy: -37.643 tors. eta vs tors. theta energy: -70.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -832.343358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.343358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.343358 (E_RNA) where: Base-Base interactions energy: -542.512 where: short stacking energy: -246.946 Base-Backbone interact. energy: 0.495 local terms energy: -290.325458 where: bonds (distance) C4'-P energy: -46.379 bonds (distance) P-C4' energy: -66.951 flat angles C4'-P-C4' energy: -65.142 flat angles P-C4'-P energy: -47.903 tors. eta vs tors. theta energy: -63.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -749.695496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.695496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.695496 (E_RNA) where: Base-Base interactions energy: -489.830 where: short stacking energy: -228.042 Base-Backbone interact. energy: -1.647 local terms energy: -258.219403 where: bonds (distance) C4'-P energy: -44.975 bonds (distance) P-C4' energy: -55.408 flat angles C4'-P-C4' energy: -63.355 flat angles P-C4'-P energy: -40.773 tors. eta vs tors. theta energy: -53.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -474.862686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.862686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.862686 (E_RNA) where: Base-Base interactions energy: -269.097 where: short stacking energy: -137.794 Base-Backbone interact. energy: -1.472 local terms energy: -204.294189 where: bonds (distance) C4'-P energy: -41.192 bonds (distance) P-C4' energy: -63.231 flat angles C4'-P-C4' energy: -52.560 flat angles P-C4'-P energy: -29.634 tors. eta vs tors. theta energy: -17.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -487.292460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.292460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.292460 (E_RNA) where: Base-Base interactions energy: -274.680 where: short stacking energy: -156.358 Base-Backbone interact. energy: -1.418 local terms energy: -211.193998 where: bonds (distance) C4'-P energy: -50.453 bonds (distance) P-C4' energy: -43.453 flat angles C4'-P-C4' energy: -54.371 flat angles P-C4'-P energy: -27.709 tors. eta vs tors. theta energy: -35.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -281.211477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.211477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.211477 (E_RNA) where: Base-Base interactions energy: -94.919 where: short stacking energy: -85.445 Base-Backbone interact. energy: -0.646 local terms energy: -185.646017 where: bonds (distance) C4'-P energy: -48.539 bonds (distance) P-C4' energy: -68.383 flat angles C4'-P-C4' energy: -47.305 flat angles P-C4'-P energy: -17.470 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1144.403111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.403111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.403111 (E_RNA) where: Base-Base interactions energy: -801.922 where: short stacking energy: -315.413 Base-Backbone interact. energy: 0.239 local terms energy: -342.720617 where: bonds (distance) C4'-P energy: -60.937 bonds (distance) P-C4' energy: -63.381 flat angles C4'-P-C4' energy: -72.972 flat angles P-C4'-P energy: -52.545 tors. eta vs tors. theta energy: -92.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1107.355710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.355710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.355710 (E_RNA) where: Base-Base interactions energy: -778.915 where: short stacking energy: -337.748 Base-Backbone interact. energy: -1.478 local terms energy: -326.962576 where: bonds (distance) C4'-P energy: -50.004 bonds (distance) P-C4' energy: -59.090 flat angles C4'-P-C4' energy: -72.488 flat angles P-C4'-P energy: -51.840 tors. eta vs tors. theta energy: -93.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1037.897630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.897630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.897630 (E_RNA) where: Base-Base interactions energy: -721.990 where: short stacking energy: -307.804 Base-Backbone interact. energy: -1.113 local terms energy: -314.794403 where: bonds (distance) C4'-P energy: -58.001 bonds (distance) P-C4' energy: -58.488 flat angles C4'-P-C4' energy: -62.959 flat angles P-C4'-P energy: -42.887 tors. eta vs tors. theta energy: -92.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -953.827797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.827797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.827797 (E_RNA) where: Base-Base interactions energy: -648.350 where: short stacking energy: -263.893 Base-Backbone interact. energy: -2.256 local terms energy: -303.221839 where: bonds (distance) C4'-P energy: -63.821 bonds (distance) P-C4' energy: -61.550 flat angles C4'-P-C4' energy: -57.729 flat angles P-C4'-P energy: -55.034 tors. eta vs tors. theta energy: -65.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -876.656557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.656557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.656557 (E_RNA) where: Base-Base interactions energy: -600.756 where: short stacking energy: -270.699 Base-Backbone interact. energy: -1.533 local terms energy: -274.367884 where: bonds (distance) C4'-P energy: -40.907 bonds (distance) P-C4' energy: -48.475 flat angles C4'-P-C4' energy: -68.630 flat angles P-C4'-P energy: -42.844 tors. eta vs tors. theta energy: -73.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -835.786038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.786038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.786038 (E_RNA) where: Base-Base interactions energy: -538.264 where: short stacking energy: -254.309 Base-Backbone interact. energy: -0.601 local terms energy: -296.921021 where: bonds (distance) C4'-P energy: -57.293 bonds (distance) P-C4' energy: -55.164 flat angles C4'-P-C4' energy: -71.547 flat angles P-C4'-P energy: -36.407 tors. eta vs tors. theta energy: -76.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -725.915171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.915171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.915171 (E_RNA) where: Base-Base interactions energy: -475.459 where: short stacking energy: -223.790 Base-Backbone interact. energy: 2.417 local terms energy: -252.873498 where: bonds (distance) C4'-P energy: -41.684 bonds (distance) P-C4' energy: -57.460 flat angles C4'-P-C4' energy: -54.705 flat angles P-C4'-P energy: -42.966 tors. eta vs tors. theta energy: -56.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -505.479017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.479017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.479017 (E_RNA) where: Base-Base interactions energy: -262.720 where: short stacking energy: -151.739 Base-Backbone interact. energy: 0.565 local terms energy: -243.324363 where: bonds (distance) C4'-P energy: -67.577 bonds (distance) P-C4' energy: -53.101 flat angles C4'-P-C4' energy: -64.614 flat angles P-C4'-P energy: -30.000 tors. eta vs tors. theta energy: -28.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -464.713684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.713684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.713684 (E_RNA) where: Base-Base interactions energy: -261.613 where: short stacking energy: -135.684 Base-Backbone interact. energy: -2.384 local terms energy: -200.716775 where: bonds (distance) C4'-P energy: -54.452 bonds (distance) P-C4' energy: -49.919 flat angles C4'-P-C4' energy: -50.159 flat angles P-C4'-P energy: -28.428 tors. eta vs tors. theta energy: -17.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -267.872680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.872680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.872680 (E_RNA) where: Base-Base interactions energy: -106.219 where: short stacking energy: -66.512 Base-Backbone interact. energy: 0.925 local terms energy: -162.579113 where: bonds (distance) C4'-P energy: -50.700 bonds (distance) P-C4' energy: -59.301 flat angles C4'-P-C4' energy: -31.607 flat angles P-C4'-P energy: -31.230 tors. eta vs tors. theta energy: 10.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1165.345756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.345756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.345756 (E_RNA) where: Base-Base interactions energy: -817.726 where: short stacking energy: -328.686 Base-Backbone interact. energy: -1.426 local terms energy: -346.193763 where: bonds (distance) C4'-P energy: -73.295 bonds (distance) P-C4' energy: -64.241 flat angles C4'-P-C4' energy: -80.169 flat angles P-C4'-P energy: -38.111 tors. eta vs tors. theta energy: -90.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1076.528437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.528437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.528437 (E_RNA) where: Base-Base interactions energy: -734.865 where: short stacking energy: -302.181 Base-Backbone interact. energy: -1.056 local terms energy: -340.607506 where: bonds (distance) C4'-P energy: -65.536 bonds (distance) P-C4' energy: -71.446 flat angles C4'-P-C4' energy: -66.438 flat angles P-C4'-P energy: -50.761 tors. eta vs tors. theta energy: -86.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1047.295759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.295759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.295759 (E_RNA) where: Base-Base interactions energy: -730.026 where: short stacking energy: -287.194 Base-Backbone interact. energy: -1.252 local terms energy: -316.017366 where: bonds (distance) C4'-P energy: -61.773 bonds (distance) P-C4' energy: -56.115 flat angles C4'-P-C4' energy: -69.426 flat angles P-C4'-P energy: -48.429 tors. eta vs tors. theta energy: -80.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -938.631198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.631198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.631198 (E_RNA) where: Base-Base interactions energy: -643.992 where: short stacking energy: -274.956 Base-Backbone interact. energy: -1.663 local terms energy: -292.976069 where: bonds (distance) C4'-P energy: -50.079 bonds (distance) P-C4' energy: -61.687 flat angles C4'-P-C4' energy: -59.063 flat angles P-C4'-P energy: -41.133 tors. eta vs tors. theta energy: -81.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -884.617319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.617319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.617319 (E_RNA) where: Base-Base interactions energy: -586.841 where: short stacking energy: -264.764 Base-Backbone interact. energy: -0.926 local terms energy: -296.850299 where: bonds (distance) C4'-P energy: -56.517 bonds (distance) P-C4' energy: -66.348 flat angles C4'-P-C4' energy: -55.925 flat angles P-C4'-P energy: -43.907 tors. eta vs tors. theta energy: -74.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -811.024540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.024540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.024540 (E_RNA) where: Base-Base interactions energy: -526.718 where: short stacking energy: -248.545 Base-Backbone interact. energy: -0.278 local terms energy: -284.028326 where: bonds (distance) C4'-P energy: -57.247 bonds (distance) P-C4' energy: -60.251 flat angles C4'-P-C4' energy: -55.621 flat angles P-C4'-P energy: -42.760 tors. eta vs tors. theta energy: -68.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -751.941901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.941901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.941901 (E_RNA) where: Base-Base interactions energy: -490.792 where: short stacking energy: -219.270 Base-Backbone interact. energy: -0.687 local terms energy: -260.463421 where: bonds (distance) C4'-P energy: -49.941 bonds (distance) P-C4' energy: -58.784 flat angles C4'-P-C4' energy: -62.238 flat angles P-C4'-P energy: -38.922 tors. eta vs tors. theta energy: -50.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -533.902439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.902439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.902439 (E_RNA) where: Base-Base interactions energy: -325.646 where: short stacking energy: -159.435 Base-Backbone interact. energy: -0.400 local terms energy: -207.856505 where: bonds (distance) C4'-P energy: -46.451 bonds (distance) P-C4' energy: -48.585 flat angles C4'-P-C4' energy: -55.334 flat angles P-C4'-P energy: -34.413 tors. eta vs tors. theta energy: -23.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -444.803835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.803835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.803835 (E_RNA) where: Base-Base interactions energy: -246.518 where: short stacking energy: -132.806 Base-Backbone interact. energy: 1.849 local terms energy: -200.134627 where: bonds (distance) C4'-P energy: -56.922 bonds (distance) P-C4' energy: -48.955 flat angles C4'-P-C4' energy: -49.471 flat angles P-C4'-P energy: -30.637 tors. eta vs tors. theta energy: -14.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -265.503724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.503724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.503724 (E_RNA) where: Base-Base interactions energy: -107.316 where: short stacking energy: -70.034 Base-Backbone interact. energy: -1.056 local terms energy: -157.132404 where: bonds (distance) C4'-P energy: -50.636 bonds (distance) P-C4' energy: -47.168 flat angles C4'-P-C4' energy: -52.554 flat angles P-C4'-P energy: -27.643 tors. eta vs tors. theta energy: 20.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1152.555736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.555736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.555736 (E_RNA) where: Base-Base interactions energy: -806.499 where: short stacking energy: -319.901 Base-Backbone interact. energy: -3.477 local terms energy: -342.580050 where: bonds (distance) C4'-P energy: -63.300 bonds (distance) P-C4' energy: -65.002 flat angles C4'-P-C4' energy: -75.095 flat angles P-C4'-P energy: -46.124 tors. eta vs tors. theta energy: -93.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1098.849679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.849679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.849679 (E_RNA) where: Base-Base interactions energy: -780.328 where: short stacking energy: -315.096 Base-Backbone interact. energy: -1.742 local terms energy: -316.779064 where: bonds (distance) C4'-P energy: -50.877 bonds (distance) P-C4' energy: -63.445 flat angles C4'-P-C4' energy: -72.306 flat angles P-C4'-P energy: -47.196 tors. eta vs tors. theta energy: -82.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1038.675449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.675449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.675449 (E_RNA) where: Base-Base interactions energy: -723.734 where: short stacking energy: -306.553 Base-Backbone interact. energy: -0.878 local terms energy: -314.063540 where: bonds (distance) C4'-P energy: -55.056 bonds (distance) P-C4' energy: -66.456 flat angles C4'-P-C4' energy: -63.623 flat angles P-C4'-P energy: -46.538 tors. eta vs tors. theta energy: -82.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -948.201082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.201082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.201082 (E_RNA) where: Base-Base interactions energy: -637.624 where: short stacking energy: -260.187 Base-Backbone interact. energy: -1.350 local terms energy: -309.227776 where: bonds (distance) C4'-P energy: -59.902 bonds (distance) P-C4' energy: -51.075 flat angles C4'-P-C4' energy: -71.463 flat angles P-C4'-P energy: -41.095 tors. eta vs tors. theta energy: -85.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -900.526744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.526744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.526744 (E_RNA) where: Base-Base interactions energy: -588.930 where: short stacking energy: -274.727 Base-Backbone interact. energy: 0.940 local terms energy: -312.537378 where: bonds (distance) C4'-P energy: -56.316 bonds (distance) P-C4' energy: -69.954 flat angles C4'-P-C4' energy: -69.692 flat angles P-C4'-P energy: -28.183 tors. eta vs tors. theta energy: -88.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -795.597085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.597085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.597085 (E_RNA) where: Base-Base interactions energy: -510.545 where: short stacking energy: -224.681 Base-Backbone interact. energy: 1.733 local terms energy: -286.785328 where: bonds (distance) C4'-P energy: -60.863 bonds (distance) P-C4' energy: -57.025 flat angles C4'-P-C4' energy: -62.201 flat angles P-C4'-P energy: -43.068 tors. eta vs tors. theta energy: -63.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -752.011523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.011523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.011523 (E_RNA) where: Base-Base interactions energy: -470.552 where: short stacking energy: -202.485 Base-Backbone interact. energy: -2.493 local terms energy: -278.966620 where: bonds (distance) C4'-P energy: -62.038 bonds (distance) P-C4' energy: -67.349 flat angles C4'-P-C4' energy: -53.980 flat angles P-C4'-P energy: -45.954 tors. eta vs tors. theta energy: -49.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -515.900721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.900721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.900721 (E_RNA) where: Base-Base interactions energy: -299.532 where: short stacking energy: -131.098 Base-Backbone interact. energy: 0.433 local terms energy: -216.802169 where: bonds (distance) C4'-P energy: -55.198 bonds (distance) P-C4' energy: -60.487 flat angles C4'-P-C4' energy: -59.113 flat angles P-C4'-P energy: -21.514 tors. eta vs tors. theta energy: -20.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -490.033445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.033445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.033445 (E_RNA) where: Base-Base interactions energy: -255.648 where: short stacking energy: -146.587 Base-Backbone interact. energy: -1.981 local terms energy: -232.405158 where: bonds (distance) C4'-P energy: -56.232 bonds (distance) P-C4' energy: -60.857 flat angles C4'-P-C4' energy: -58.789 flat angles P-C4'-P energy: -34.244 tors. eta vs tors. theta energy: -22.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -266.380344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.380344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.380344 (E_RNA) where: Base-Base interactions energy: -94.001 where: short stacking energy: -76.675 Base-Backbone interact. energy: 0.120 local terms energy: -172.499220 where: bonds (distance) C4'-P energy: -55.426 bonds (distance) P-C4' energy: -50.215 flat angles C4'-P-C4' energy: -36.574 flat angles P-C4'-P energy: -34.212 tors. eta vs tors. theta energy: 3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1154.606136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.606136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.606136 (E_RNA) where: Base-Base interactions energy: -810.728 where: short stacking energy: -318.375 Base-Backbone interact. energy: -3.035 local terms energy: -340.843361 where: bonds (distance) C4'-P energy: -63.485 bonds (distance) P-C4' energy: -67.153 flat angles C4'-P-C4' energy: -76.829 flat angles P-C4'-P energy: -46.575 tors. eta vs tors. theta energy: -86.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1118.865094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.865094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.865094 (E_RNA) where: Base-Base interactions energy: -783.206 where: short stacking energy: -325.672 Base-Backbone interact. energy: 0.254 local terms energy: -335.913368 where: bonds (distance) C4'-P energy: -67.040 bonds (distance) P-C4' energy: -58.995 flat angles C4'-P-C4' energy: -66.963 flat angles P-C4'-P energy: -45.778 tors. eta vs tors. theta energy: -97.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1045.548843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.548843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.548843 (E_RNA) where: Base-Base interactions energy: -737.469 where: short stacking energy: -307.138 Base-Backbone interact. energy: -2.228 local terms energy: -305.851227 where: bonds (distance) C4'-P energy: -64.030 bonds (distance) P-C4' energy: -49.894 flat angles C4'-P-C4' energy: -65.907 flat angles P-C4'-P energy: -38.507 tors. eta vs tors. theta energy: -87.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -985.183456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.183456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.183456 (E_RNA) where: Base-Base interactions energy: -657.962 where: short stacking energy: -264.290 Base-Backbone interact. energy: -1.949 local terms energy: -325.272811 where: bonds (distance) C4'-P energy: -62.381 bonds (distance) P-C4' energy: -68.154 flat angles C4'-P-C4' energy: -69.686 flat angles P-C4'-P energy: -41.981 tors. eta vs tors. theta energy: -83.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -922.098436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.098436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.098436 (E_RNA) where: Base-Base interactions energy: -617.718 where: short stacking energy: -269.513 Base-Backbone interact. energy: 1.583 local terms energy: -305.963098 where: bonds (distance) C4'-P energy: -53.574 bonds (distance) P-C4' energy: -58.305 flat angles C4'-P-C4' energy: -61.454 flat angles P-C4'-P energy: -45.063 tors. eta vs tors. theta energy: -87.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -816.646713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.646713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.646713 (E_RNA) where: Base-Base interactions energy: -518.196 where: short stacking energy: -249.458 Base-Backbone interact. energy: -1.104 local terms energy: -297.346639 where: bonds (distance) C4'-P energy: -62.426 bonds (distance) P-C4' energy: -58.785 flat angles C4'-P-C4' energy: -65.373 flat angles P-C4'-P energy: -43.893 tors. eta vs tors. theta energy: -66.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -752.106534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.106534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.106534 (E_RNA) where: Base-Base interactions energy: -473.066 where: short stacking energy: -213.464 Base-Backbone interact. energy: -2.152 local terms energy: -276.888720 where: bonds (distance) C4'-P energy: -55.290 bonds (distance) P-C4' energy: -56.957 flat angles C4'-P-C4' energy: -58.433 flat angles P-C4'-P energy: -36.563 tors. eta vs tors. theta energy: -69.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -499.533198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.533198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.533198 (E_RNA) where: Base-Base interactions energy: -284.429 where: short stacking energy: -151.949 Base-Backbone interact. energy: -0.934 local terms energy: -214.169931 where: bonds (distance) C4'-P energy: -53.265 bonds (distance) P-C4' energy: -68.886 flat angles C4'-P-C4' energy: -46.909 flat angles P-C4'-P energy: -21.644 tors. eta vs tors. theta energy: -23.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -451.230255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.230255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.230255 (E_RNA) where: Base-Base interactions energy: -260.808 where: short stacking energy: -141.966 Base-Backbone interact. energy: 2.239 local terms energy: -192.661000 where: bonds (distance) C4'-P energy: -48.920 bonds (distance) P-C4' energy: -55.789 flat angles C4'-P-C4' energy: -47.523 flat angles P-C4'-P energy: -17.079 tors. eta vs tors. theta energy: -23.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -273.744123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.744123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.744123 (E_RNA) where: Base-Base interactions energy: -100.196 where: short stacking energy: -89.015 Base-Backbone interact. energy: -0.729 local terms energy: -172.819033 where: bonds (distance) C4'-P energy: -53.611 bonds (distance) P-C4' energy: -55.899 flat angles C4'-P-C4' energy: -48.142 flat angles P-C4'-P energy: -17.567 tors. eta vs tors. theta energy: 2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1146.553187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.553187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.553187 (E_RNA) where: Base-Base interactions energy: -806.930 where: short stacking energy: -318.887 Base-Backbone interact. energy: 0.762 local terms energy: -340.385233 where: bonds (distance) C4'-P energy: -59.790 bonds (distance) P-C4' energy: -76.431 flat angles C4'-P-C4' energy: -67.945 flat angles P-C4'-P energy: -46.236 tors. eta vs tors. theta energy: -89.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1128.838980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.838980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.838980 (E_RNA) where: Base-Base interactions energy: -805.284 where: short stacking energy: -322.440 Base-Backbone interact. energy: -0.767 local terms energy: -322.788274 where: bonds (distance) C4'-P energy: -61.473 bonds (distance) P-C4' energy: -57.987 flat angles C4'-P-C4' energy: -69.891 flat angles P-C4'-P energy: -45.345 tors. eta vs tors. theta energy: -88.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1051.066863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.066863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.066863 (E_RNA) where: Base-Base interactions energy: -726.589 where: short stacking energy: -321.468 Base-Backbone interact. energy: -0.244 local terms energy: -324.233653 where: bonds (distance) C4'-P energy: -53.685 bonds (distance) P-C4' energy: -69.786 flat angles C4'-P-C4' energy: -66.069 flat angles P-C4'-P energy: -43.357 tors. eta vs tors. theta energy: -91.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -928.100560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.100560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.100560 (E_RNA) where: Base-Base interactions energy: -624.962 where: short stacking energy: -275.177 Base-Backbone interact. energy: -0.183 local terms energy: -302.955021 where: bonds (distance) C4'-P energy: -61.085 bonds (distance) P-C4' energy: -58.381 flat angles C4'-P-C4' energy: -59.655 flat angles P-C4'-P energy: -42.477 tors. eta vs tors. theta energy: -81.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -930.291804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.291804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.291804 (E_RNA) where: Base-Base interactions energy: -636.499 where: short stacking energy: -263.329 Base-Backbone interact. energy: -0.356 local terms energy: -293.436651 where: bonds (distance) C4'-P energy: -38.679 bonds (distance) P-C4' energy: -60.468 flat angles C4'-P-C4' energy: -64.991 flat angles P-C4'-P energy: -48.521 tors. eta vs tors. theta energy: -80.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -783.565774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.565774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.565774 (E_RNA) where: Base-Base interactions energy: -517.385 where: short stacking energy: -222.438 Base-Backbone interact. energy: -0.006 local terms energy: -266.174433 where: bonds (distance) C4'-P energy: -53.687 bonds (distance) P-C4' energy: -59.934 flat angles C4'-P-C4' energy: -57.912 flat angles P-C4'-P energy: -38.716 tors. eta vs tors. theta energy: -55.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -791.879436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.879436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.879436 (E_RNA) where: Base-Base interactions energy: -512.131 where: short stacking energy: -221.768 Base-Backbone interact. energy: 0.157 local terms energy: -279.904699 where: bonds (distance) C4'-P energy: -54.994 bonds (distance) P-C4' energy: -70.508 flat angles C4'-P-C4' energy: -64.136 flat angles P-C4'-P energy: -36.284 tors. eta vs tors. theta energy: -53.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -479.630452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.630452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.630452 (E_RNA) where: Base-Base interactions energy: -265.680 where: short stacking energy: -137.762 Base-Backbone interact. energy: -2.606 local terms energy: -211.344182 where: bonds (distance) C4'-P energy: -53.102 bonds (distance) P-C4' energy: -59.851 flat angles C4'-P-C4' energy: -51.106 flat angles P-C4'-P energy: -32.199 tors. eta vs tors. theta energy: -15.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -461.921093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.921093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.921093 (E_RNA) where: Base-Base interactions energy: -257.712 where: short stacking energy: -143.139 Base-Backbone interact. energy: 0.381 local terms energy: -204.589348 where: bonds (distance) C4'-P energy: -46.639 bonds (distance) P-C4' energy: -56.709 flat angles C4'-P-C4' energy: -38.309 flat angles P-C4'-P energy: -40.674 tors. eta vs tors. theta energy: -22.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -287.373994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.373994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.373994 (E_RNA) where: Base-Base interactions energy: -118.286 where: short stacking energy: -85.263 Base-Backbone interact. energy: 3.735 local terms energy: -172.823279 where: bonds (distance) C4'-P energy: -44.281 bonds (distance) P-C4' energy: -53.703 flat angles C4'-P-C4' energy: -46.302 flat angles P-C4'-P energy: -29.790 tors. eta vs tors. theta energy: 1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1131.269907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.269907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.269907 (E_RNA) where: Base-Base interactions energy: -791.446 where: short stacking energy: -329.019 Base-Backbone interact. energy: -2.748 local terms energy: -337.075874 where: bonds (distance) C4'-P energy: -62.556 bonds (distance) P-C4' energy: -57.489 flat angles C4'-P-C4' energy: -76.928 flat angles P-C4'-P energy: -42.944 tors. eta vs tors. theta energy: -97.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1136.924562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.924562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.924562 (E_RNA) where: Base-Base interactions energy: -799.207 where: short stacking energy: -317.169 Base-Backbone interact. energy: 0.487 local terms energy: -338.204299 where: bonds (distance) C4'-P energy: -68.122 bonds (distance) P-C4' energy: -58.676 flat angles C4'-P-C4' energy: -76.261 flat angles P-C4'-P energy: -44.603 tors. eta vs tors. theta energy: -90.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1040.128203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.128203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.128203 (E_RNA) where: Base-Base interactions energy: -717.110 where: short stacking energy: -304.236 Base-Backbone interact. energy: -1.391 local terms energy: -321.626835 where: bonds (distance) C4'-P energy: -59.701 bonds (distance) P-C4' energy: -68.272 flat angles C4'-P-C4' energy: -56.622 flat angles P-C4'-P energy: -46.344 tors. eta vs tors. theta energy: -90.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -913.992468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.992468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.992468 (E_RNA) where: Base-Base interactions energy: -601.226 where: short stacking energy: -271.976 Base-Backbone interact. energy: -0.804 local terms energy: -311.962716 where: bonds (distance) C4'-P energy: -62.857 bonds (distance) P-C4' energy: -58.996 flat angles C4'-P-C4' energy: -76.009 flat angles P-C4'-P energy: -39.092 tors. eta vs tors. theta energy: -75.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -926.660750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.660750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.660750 (E_RNA) where: Base-Base interactions energy: -624.916 where: short stacking energy: -257.921 Base-Backbone interact. energy: 3.362 local terms energy: -305.106601 where: bonds (distance) C4'-P energy: -55.904 bonds (distance) P-C4' energy: -67.126 flat angles C4'-P-C4' energy: -59.146 flat angles P-C4'-P energy: -46.204 tors. eta vs tors. theta energy: -76.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -768.266010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.266010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.266010 (E_RNA) where: Base-Base interactions energy: -485.571 where: short stacking energy: -224.191 Base-Backbone interact. energy: 1.157 local terms energy: -283.852573 where: bonds (distance) C4'-P energy: -69.011 bonds (distance) P-C4' energy: -53.188 flat angles C4'-P-C4' energy: -53.512 flat angles P-C4'-P energy: -48.494 tors. eta vs tors. theta energy: -59.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -784.120576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.120576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.120576 (E_RNA) where: Base-Base interactions energy: -507.304 where: short stacking energy: -224.984 Base-Backbone interact. energy: -1.315 local terms energy: -275.501743 where: bonds (distance) C4'-P energy: -51.704 bonds (distance) P-C4' energy: -60.435 flat angles C4'-P-C4' energy: -60.531 flat angles P-C4'-P energy: -37.039 tors. eta vs tors. theta energy: -65.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -479.514580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.514580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.514580 (E_RNA) where: Base-Base interactions energy: -269.712 where: short stacking energy: -162.440 Base-Backbone interact. energy: -0.520 local terms energy: -209.282927 where: bonds (distance) C4'-P energy: -42.044 bonds (distance) P-C4' energy: -46.418 flat angles C4'-P-C4' energy: -53.390 flat angles P-C4'-P energy: -35.921 tors. eta vs tors. theta energy: -31.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -465.107181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.107181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.107181 (E_RNA) where: Base-Base interactions energy: -258.724 where: short stacking energy: -116.170 Base-Backbone interact. energy: 0.476 local terms energy: -206.858619 where: bonds (distance) C4'-P energy: -57.999 bonds (distance) P-C4' energy: -66.505 flat angles C4'-P-C4' energy: -47.425 flat angles P-C4'-P energy: -28.448 tors. eta vs tors. theta energy: -6.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -276.794637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.794637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.794637 (E_RNA) where: Base-Base interactions energy: -141.999 where: short stacking energy: -95.542 Base-Backbone interact. energy: -1.887 local terms energy: -132.908224 where: bonds (distance) C4'-P energy: -53.568 bonds (distance) P-C4' energy: -34.606 flat angles C4'-P-C4' energy: -39.081 flat angles P-C4'-P energy: -14.890 tors. eta vs tors. theta energy: 9.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1135.668659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.668659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.668659 (E_RNA) where: Base-Base interactions energy: -799.130 where: short stacking energy: -338.592 Base-Backbone interact. energy: -0.557 local terms energy: -335.982191 where: bonds (distance) C4'-P energy: -63.970 bonds (distance) P-C4' energy: -65.091 flat angles C4'-P-C4' energy: -72.943 flat angles P-C4'-P energy: -40.745 tors. eta vs tors. theta energy: -93.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1110.315950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.315950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.315950 (E_RNA) where: Base-Base interactions energy: -787.557 where: short stacking energy: -311.154 Base-Backbone interact. energy: -0.012 local terms energy: -322.746424 where: bonds (distance) C4'-P energy: -64.352 bonds (distance) P-C4' energy: -68.146 flat angles C4'-P-C4' energy: -64.482 flat angles P-C4'-P energy: -39.543 tors. eta vs tors. theta energy: -86.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1058.964231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.964231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.964231 (E_RNA) where: Base-Base interactions energy: -725.514 where: short stacking energy: -317.138 Base-Backbone interact. energy: 1.175 local terms energy: -334.625531 where: bonds (distance) C4'-P energy: -53.977 bonds (distance) P-C4' energy: -65.743 flat angles C4'-P-C4' energy: -71.477 flat angles P-C4'-P energy: -49.147 tors. eta vs tors. theta energy: -94.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -929.646192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.646192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.646192 (E_RNA) where: Base-Base interactions energy: -625.252 where: short stacking energy: -271.075 Base-Backbone interact. energy: -2.673 local terms energy: -301.721381 where: bonds (distance) C4'-P energy: -60.860 bonds (distance) P-C4' energy: -60.880 flat angles C4'-P-C4' energy: -61.841 flat angles P-C4'-P energy: -37.410 tors. eta vs tors. theta energy: -80.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -934.692682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.692682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.692682 (E_RNA) where: Base-Base interactions energy: -633.090 where: short stacking energy: -257.826 Base-Backbone interact. energy: -0.575 local terms energy: -301.028081 where: bonds (distance) C4'-P energy: -62.786 bonds (distance) P-C4' energy: -60.891 flat angles C4'-P-C4' energy: -62.807 flat angles P-C4'-P energy: -32.400 tors. eta vs tors. theta energy: -82.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -830.998417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.998417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.998417 (E_RNA) where: Base-Base interactions energy: -553.771 where: short stacking energy: -242.238 Base-Backbone interact. energy: -2.026 local terms energy: -275.201389 where: bonds (distance) C4'-P energy: -60.785 bonds (distance) P-C4' energy: -59.005 flat angles C4'-P-C4' energy: -63.039 flat angles P-C4'-P energy: -38.260 tors. eta vs tors. theta energy: -54.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -741.348502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.348502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.348502 (E_RNA) where: Base-Base interactions energy: -491.780 where: short stacking energy: -224.902 Base-Backbone interact. energy: -0.889 local terms energy: -248.679416 where: bonds (distance) C4'-P energy: -38.562 bonds (distance) P-C4' energy: -51.432 flat angles C4'-P-C4' energy: -60.897 flat angles P-C4'-P energy: -48.530 tors. eta vs tors. theta energy: -49.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -474.981297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.981297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.981297 (E_RNA) where: Base-Base interactions energy: -268.712 where: short stacking energy: -158.557 Base-Backbone interact. energy: -2.688 local terms energy: -203.580724 where: bonds (distance) C4'-P energy: -42.397 bonds (distance) P-C4' energy: -51.914 flat angles C4'-P-C4' energy: -55.020 flat angles P-C4'-P energy: -32.042 tors. eta vs tors. theta energy: -22.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -463.440179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.440179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.440179 (E_RNA) where: Base-Base interactions energy: -266.148 where: short stacking energy: -122.572 Base-Backbone interact. energy: -1.499 local terms energy: -195.792961 where: bonds (distance) C4'-P energy: -55.601 bonds (distance) P-C4' energy: -49.382 flat angles C4'-P-C4' energy: -50.928 flat angles P-C4'-P energy: -29.719 tors. eta vs tors. theta energy: -10.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -280.528238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.528238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.528238 (E_RNA) where: Base-Base interactions energy: -82.736 where: short stacking energy: -81.331 Base-Backbone interact. energy: -1.004 local terms energy: -196.788169 where: bonds (distance) C4'-P energy: -52.398 bonds (distance) P-C4' energy: -59.862 flat angles C4'-P-C4' energy: -61.184 flat angles P-C4'-P energy: -27.203 tors. eta vs tors. theta energy: 3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1156.499578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.499578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.499578 (E_RNA) where: Base-Base interactions energy: -803.461 where: short stacking energy: -322.877 Base-Backbone interact. energy: -2.255 local terms energy: -350.783894 where: bonds (distance) C4'-P energy: -70.504 bonds (distance) P-C4' energy: -68.246 flat angles C4'-P-C4' energy: -72.330 flat angles P-C4'-P energy: -44.530 tors. eta vs tors. theta energy: -95.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1114.440239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.440239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.440239 (E_RNA) where: Base-Base interactions energy: -776.814 where: short stacking energy: -328.875 Base-Backbone interact. energy: -0.723 local terms energy: -336.903867 where: bonds (distance) C4'-P energy: -64.775 bonds (distance) P-C4' energy: -60.939 flat angles C4'-P-C4' energy: -72.466 flat angles P-C4'-P energy: -40.702 tors. eta vs tors. theta energy: -98.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1018.590083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.590083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.590083 (E_RNA) where: Base-Base interactions energy: -697.903 where: short stacking energy: -290.254 Base-Backbone interact. energy: -1.013 local terms energy: -319.674133 where: bonds (distance) C4'-P energy: -71.021 bonds (distance) P-C4' energy: -48.595 flat angles C4'-P-C4' energy: -69.398 flat angles P-C4'-P energy: -47.529 tors. eta vs tors. theta energy: -83.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -961.530112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.530112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.530112 (E_RNA) where: Base-Base interactions energy: -633.124 where: short stacking energy: -289.494 Base-Backbone interact. energy: -0.302 local terms energy: -328.103895 where: bonds (distance) C4'-P energy: -63.793 bonds (distance) P-C4' energy: -63.172 flat angles C4'-P-C4' energy: -68.428 flat angles P-C4'-P energy: -46.136 tors. eta vs tors. theta energy: -86.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -944.245643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.245643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.245643 (E_RNA) where: Base-Base interactions energy: -631.507 where: short stacking energy: -263.426 Base-Backbone interact. energy: -0.412 local terms energy: -312.326043 where: bonds (distance) C4'-P energy: -48.870 bonds (distance) P-C4' energy: -60.743 flat angles C4'-P-C4' energy: -68.465 flat angles P-C4'-P energy: -46.870 tors. eta vs tors. theta energy: -87.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -824.926765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.926765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.926765 (E_RNA) where: Base-Base interactions energy: -536.552 where: short stacking energy: -241.280 Base-Backbone interact. energy: -1.248 local terms energy: -287.127003 where: bonds (distance) C4'-P energy: -45.694 bonds (distance) P-C4' energy: -66.026 flat angles C4'-P-C4' energy: -61.212 flat angles P-C4'-P energy: -40.752 tors. eta vs tors. theta energy: -73.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -718.304345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.304345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.304345 (E_RNA) where: Base-Base interactions energy: -465.628 where: short stacking energy: -218.688 Base-Backbone interact. energy: 0.653 local terms energy: -253.329382 where: bonds (distance) C4'-P energy: -60.340 bonds (distance) P-C4' energy: -56.771 flat angles C4'-P-C4' energy: -58.169 flat angles P-C4'-P energy: -24.172 tors. eta vs tors. theta energy: -53.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -474.136246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.136246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.136246 (E_RNA) where: Base-Base interactions energy: -244.489 where: short stacking energy: -151.731 Base-Backbone interact. energy: -0.679 local terms energy: -228.968581 where: bonds (distance) C4'-P energy: -49.516 bonds (distance) P-C4' energy: -65.924 flat angles C4'-P-C4' energy: -47.742 flat angles P-C4'-P energy: -35.091 tors. eta vs tors. theta energy: -30.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -445.766407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.766407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.766407 (E_RNA) where: Base-Base interactions energy: -243.586 where: short stacking energy: -127.358 Base-Backbone interact. energy: -2.449 local terms energy: -199.731056 where: bonds (distance) C4'-P energy: -55.003 bonds (distance) P-C4' energy: -53.175 flat angles C4'-P-C4' energy: -51.148 flat angles P-C4'-P energy: -34.036 tors. eta vs tors. theta energy: -6.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -276.042536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.042536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.042536 (E_RNA) where: Base-Base interactions energy: -102.217 where: short stacking energy: -87.603 Base-Backbone interact. energy: -0.662 local terms energy: -173.163258 where: bonds (distance) C4'-P energy: -57.652 bonds (distance) P-C4' energy: -57.933 flat angles C4'-P-C4' energy: -37.593 flat angles P-C4'-P energy: -24.348 tors. eta vs tors. theta energy: 4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1138.787653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.787653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.787653 (E_RNA) where: Base-Base interactions energy: -781.951 where: short stacking energy: -309.284 Base-Backbone interact. energy: 1.795 local terms energy: -358.632122 where: bonds (distance) C4'-P energy: -73.675 bonds (distance) P-C4' energy: -67.730 flat angles C4'-P-C4' energy: -75.000 flat angles P-C4'-P energy: -49.275 tors. eta vs tors. theta energy: -92.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1090.066919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.066919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.066919 (E_RNA) where: Base-Base interactions energy: -767.685 where: short stacking energy: -322.747 Base-Backbone interact. energy: -1.747 local terms energy: -320.635323 where: bonds (distance) C4'-P energy: -64.491 bonds (distance) P-C4' energy: -58.269 flat angles C4'-P-C4' energy: -68.579 flat angles P-C4'-P energy: -42.789 tors. eta vs tors. theta energy: -86.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1027.135185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.135185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.135185 (E_RNA) where: Base-Base interactions energy: -726.139 where: short stacking energy: -316.708 Base-Backbone interact. energy: 0.149 local terms energy: -301.145333 where: bonds (distance) C4'-P energy: -49.799 bonds (distance) P-C4' energy: -52.071 flat angles C4'-P-C4' energy: -69.091 flat angles P-C4'-P energy: -45.513 tors. eta vs tors. theta energy: -84.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -964.380309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.380309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.380309 (E_RNA) where: Base-Base interactions energy: -657.320 where: short stacking energy: -290.843 Base-Backbone interact. energy: -2.071 local terms energy: -304.989927 where: bonds (distance) C4'-P energy: -53.718 bonds (distance) P-C4' energy: -53.954 flat angles C4'-P-C4' energy: -68.263 flat angles P-C4'-P energy: -39.908 tors. eta vs tors. theta energy: -89.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -896.873794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.873794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.873794 (E_RNA) where: Base-Base interactions energy: -605.233 where: short stacking energy: -280.951 Base-Backbone interact. energy: 0.380 local terms energy: -292.021030 where: bonds (distance) C4'-P energy: -55.635 bonds (distance) P-C4' energy: -55.227 flat angles C4'-P-C4' energy: -66.730 flat angles P-C4'-P energy: -37.479 tors. eta vs tors. theta energy: -76.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -829.881782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.881782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.881782 (E_RNA) where: Base-Base interactions energy: -548.831 where: short stacking energy: -250.459 Base-Backbone interact. energy: -0.935 local terms energy: -280.115993 where: bonds (distance) C4'-P energy: -61.304 bonds (distance) P-C4' energy: -60.100 flat angles C4'-P-C4' energy: -58.365 flat angles P-C4'-P energy: -32.804 tors. eta vs tors. theta energy: -67.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -726.236138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.236138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.236138 (E_RNA) where: Base-Base interactions energy: -470.217 where: short stacking energy: -223.968 Base-Backbone interact. energy: -1.349 local terms energy: -254.669549 where: bonds (distance) C4'-P energy: -55.390 bonds (distance) P-C4' energy: -47.198 flat angles C4'-P-C4' energy: -55.074 flat angles P-C4'-P energy: -36.482 tors. eta vs tors. theta energy: -60.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -454.804941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.804941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.804941 (E_RNA) where: Base-Base interactions energy: -240.293 where: short stacking energy: -121.005 Base-Backbone interact. energy: 1.030 local terms energy: -215.541886 where: bonds (distance) C4'-P energy: -58.029 bonds (distance) P-C4' energy: -62.207 flat angles C4'-P-C4' energy: -53.015 flat angles P-C4'-P energy: -23.891 tors. eta vs tors. theta energy: -18.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -421.976120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.976120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.976120 (E_RNA) where: Base-Base interactions energy: -228.865 where: short stacking energy: -123.781 Base-Backbone interact. energy: -0.654 local terms energy: -192.457032 where: bonds (distance) C4'-P energy: -56.431 bonds (distance) P-C4' energy: -58.708 flat angles C4'-P-C4' energy: -34.915 flat angles P-C4'-P energy: -31.936 tors. eta vs tors. theta energy: -10.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -269.967533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.967533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.967533 (E_RNA) where: Base-Base interactions energy: -91.423 where: short stacking energy: -80.927 Base-Backbone interact. energy: 0.339 local terms energy: -178.883402 where: bonds (distance) C4'-P energy: -50.850 bonds (distance) P-C4' energy: -64.879 flat angles C4'-P-C4' energy: -39.646 flat angles P-C4'-P energy: -27.970 tors. eta vs tors. theta energy: 4.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1139.735779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.735779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.735779 (E_RNA) where: Base-Base interactions energy: -806.449 where: short stacking energy: -309.565 Base-Backbone interact. energy: -1.072 local terms energy: -332.214993 where: bonds (distance) C4'-P energy: -61.641 bonds (distance) P-C4' energy: -67.616 flat angles C4'-P-C4' energy: -69.610 flat angles P-C4'-P energy: -45.639 tors. eta vs tors. theta energy: -87.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1101.675047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.675047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.675047 (E_RNA) where: Base-Base interactions energy: -764.473 where: short stacking energy: -327.022 Base-Backbone interact. energy: -0.631 local terms energy: -336.571001 where: bonds (distance) C4'-P energy: -61.876 bonds (distance) P-C4' energy: -62.095 flat angles C4'-P-C4' energy: -72.861 flat angles P-C4'-P energy: -47.932 tors. eta vs tors. theta energy: -91.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1027.269138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.269138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.269138 (E_RNA) where: Base-Base interactions energy: -687.397 where: short stacking energy: -274.902 Base-Backbone interact. energy: -2.796 local terms energy: -337.076637 where: bonds (distance) C4'-P energy: -66.486 bonds (distance) P-C4' energy: -66.552 flat angles C4'-P-C4' energy: -67.962 flat angles P-C4'-P energy: -51.687 tors. eta vs tors. theta energy: -84.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -982.748097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.748097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.748097 (E_RNA) where: Base-Base interactions energy: -663.081 where: short stacking energy: -296.782 Base-Backbone interact. energy: -1.013 local terms energy: -318.654537 where: bonds (distance) C4'-P energy: -58.559 bonds (distance) P-C4' energy: -52.520 flat angles C4'-P-C4' energy: -66.619 flat angles P-C4'-P energy: -48.723 tors. eta vs tors. theta energy: -92.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -902.963247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.963247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.963247 (E_RNA) where: Base-Base interactions energy: -616.131 where: short stacking energy: -247.714 Base-Backbone interact. energy: -1.477 local terms energy: -285.355126 where: bonds (distance) C4'-P energy: -54.111 bonds (distance) P-C4' energy: -58.272 flat angles C4'-P-C4' energy: -57.113 flat angles P-C4'-P energy: -41.947 tors. eta vs tors. theta energy: -73.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -822.456174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.456174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.456174 (E_RNA) where: Base-Base interactions energy: -547.282 where: short stacking energy: -244.569 Base-Backbone interact. energy: -2.730 local terms energy: -272.443544 where: bonds (distance) C4'-P energy: -55.615 bonds (distance) P-C4' energy: -60.329 flat angles C4'-P-C4' energy: -58.091 flat angles P-C4'-P energy: -32.618 tors. eta vs tors. theta energy: -65.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -737.189872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.189872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.189872 (E_RNA) where: Base-Base interactions energy: -482.568 where: short stacking energy: -233.301 Base-Backbone interact. energy: -1.040 local terms energy: -253.582655 where: bonds (distance) C4'-P energy: -44.998 bonds (distance) P-C4' energy: -59.194 flat angles C4'-P-C4' energy: -60.254 flat angles P-C4'-P energy: -32.189 tors. eta vs tors. theta energy: -56.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -497.464585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.464585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.464585 (E_RNA) where: Base-Base interactions energy: -277.090 where: short stacking energy: -160.176 Base-Backbone interact. energy: -1.054 local terms energy: -219.321187 where: bonds (distance) C4'-P energy: -54.423 bonds (distance) P-C4' energy: -57.292 flat angles C4'-P-C4' energy: -51.379 flat angles P-C4'-P energy: -34.067 tors. eta vs tors. theta energy: -22.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -431.976645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.976645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.976645 (E_RNA) where: Base-Base interactions energy: -227.110 where: short stacking energy: -141.087 Base-Backbone interact. energy: -1.188 local terms energy: -203.678725 where: bonds (distance) C4'-P energy: -58.182 bonds (distance) P-C4' energy: -51.269 flat angles C4'-P-C4' energy: -45.885 flat angles P-C4'-P energy: -25.850 tors. eta vs tors. theta energy: -22.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -270.959160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.959160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.959160 (E_RNA) where: Base-Base interactions energy: -87.717 where: short stacking energy: -74.954 Base-Backbone interact. energy: 4.148 local terms energy: -187.389741 where: bonds (distance) C4'-P energy: -58.870 bonds (distance) P-C4' energy: -58.030 flat angles C4'-P-C4' energy: -38.936 flat angles P-C4'-P energy: -36.064 tors. eta vs tors. theta energy: 4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1144.233943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.233943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.233943 (E_RNA) where: Base-Base interactions energy: -781.515 where: short stacking energy: -329.859 Base-Backbone interact. energy: -1.779 local terms energy: -360.939231 where: bonds (distance) C4'-P energy: -58.911 bonds (distance) P-C4' energy: -72.408 flat angles C4'-P-C4' energy: -74.979 flat angles P-C4'-P energy: -55.699 tors. eta vs tors. theta energy: -98.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1086.984939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.984939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.984939 (E_RNA) where: Base-Base interactions energy: -760.444 where: short stacking energy: -315.983 Base-Backbone interact. energy: 0.848 local terms energy: -327.389075 where: bonds (distance) C4'-P energy: -58.996 bonds (distance) P-C4' energy: -64.950 flat angles C4'-P-C4' energy: -67.332 flat angles P-C4'-P energy: -43.856 tors. eta vs tors. theta energy: -92.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1051.324041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.324041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.324041 (E_RNA) where: Base-Base interactions energy: -712.016 where: short stacking energy: -294.636 Base-Backbone interact. energy: -1.752 local terms energy: -337.555413 where: bonds (distance) C4'-P energy: -63.823 bonds (distance) P-C4' energy: -69.704 flat angles C4'-P-C4' energy: -67.117 flat angles P-C4'-P energy: -50.655 tors. eta vs tors. theta energy: -86.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -954.664398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.664398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.664398 (E_RNA) where: Base-Base interactions energy: -646.905 where: short stacking energy: -291.859 Base-Backbone interact. energy: -1.094 local terms energy: -306.664611 where: bonds (distance) C4'-P energy: -63.768 bonds (distance) P-C4' energy: -58.045 flat angles C4'-P-C4' energy: -70.082 flat angles P-C4'-P energy: -34.502 tors. eta vs tors. theta energy: -80.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -912.052665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.052665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.052665 (E_RNA) where: Base-Base interactions energy: -619.804 where: short stacking energy: -260.637 Base-Backbone interact. energy: -0.859 local terms energy: -291.389221 where: bonds (distance) C4'-P energy: -48.775 bonds (distance) P-C4' energy: -61.985 flat angles C4'-P-C4' energy: -70.354 flat angles P-C4'-P energy: -37.151 tors. eta vs tors. theta energy: -73.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -798.970047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.970047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.970047 (E_RNA) where: Base-Base interactions energy: -526.557 where: short stacking energy: -220.943 Base-Backbone interact. energy: -0.996 local terms energy: -271.417162 where: bonds (distance) C4'-P energy: -55.489 bonds (distance) P-C4' energy: -56.819 flat angles C4'-P-C4' energy: -59.283 flat angles P-C4'-P energy: -50.305 tors. eta vs tors. theta energy: -49.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -742.490118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.490118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.490118 (E_RNA) where: Base-Base interactions energy: -481.013 where: short stacking energy: -232.557 Base-Backbone interact. energy: -0.314 local terms energy: -261.163329 where: bonds (distance) C4'-P energy: -58.258 bonds (distance) P-C4' energy: -56.874 flat angles C4'-P-C4' energy: -58.375 flat angles P-C4'-P energy: -34.362 tors. eta vs tors. theta energy: -53.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -482.686976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.686976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.686976 (E_RNA) where: Base-Base interactions energy: -265.000 where: short stacking energy: -156.917 Base-Backbone interact. energy: -2.309 local terms energy: -215.377519 where: bonds (distance) C4'-P energy: -59.193 bonds (distance) P-C4' energy: -50.446 flat angles C4'-P-C4' energy: -57.499 flat angles P-C4'-P energy: -31.669 tors. eta vs tors. theta energy: -16.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -424.612974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.612974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.612974 (E_RNA) where: Base-Base interactions energy: -226.806 where: short stacking energy: -127.151 Base-Backbone interact. energy: -0.368 local terms energy: -197.439450 where: bonds (distance) C4'-P energy: -44.647 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -47.675 flat angles P-C4'-P energy: -42.129 tors. eta vs tors. theta energy: -0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -273.813908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.813908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.813908 (E_RNA) where: Base-Base interactions energy: -96.859 where: short stacking energy: -87.985 Base-Backbone interact. energy: 0.657 local terms energy: -177.611143 where: bonds (distance) C4'-P energy: -49.600 bonds (distance) P-C4' energy: -50.700 flat angles C4'-P-C4' energy: -50.617 flat angles P-C4'-P energy: -18.600 tors. eta vs tors. theta energy: -8.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1121.321735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.321735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.321735 (E_RNA) where: Base-Base interactions energy: -790.383 where: short stacking energy: -305.865 Base-Backbone interact. energy: -1.174 local terms energy: -329.764393 where: bonds (distance) C4'-P energy: -65.887 bonds (distance) P-C4' energy: -61.056 flat angles C4'-P-C4' energy: -59.479 flat angles P-C4'-P energy: -56.385 tors. eta vs tors. theta energy: -86.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1104.767580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.767580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.767580 (E_RNA) where: Base-Base interactions energy: -776.614 where: short stacking energy: -327.950 Base-Backbone interact. energy: -2.054 local terms energy: -326.098934 where: bonds (distance) C4'-P energy: -65.135 bonds (distance) P-C4' energy: -51.736 flat angles C4'-P-C4' energy: -68.388 flat angles P-C4'-P energy: -50.744 tors. eta vs tors. theta energy: -90.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1009.490137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.490137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.490137 (E_RNA) where: Base-Base interactions energy: -680.900 where: short stacking energy: -278.287 Base-Backbone interact. energy: 1.405 local terms energy: -329.995259 where: bonds (distance) C4'-P energy: -63.213 bonds (distance) P-C4' energy: -58.937 flat angles C4'-P-C4' energy: -71.500 flat angles P-C4'-P energy: -48.290 tors. eta vs tors. theta energy: -88.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -969.411210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.411210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.411210 (E_RNA) where: Base-Base interactions energy: -640.817 where: short stacking energy: -289.086 Base-Backbone interact. energy: -1.334 local terms energy: -327.259744 where: bonds (distance) C4'-P energy: -63.837 bonds (distance) P-C4' energy: -57.441 flat angles C4'-P-C4' energy: -76.061 flat angles P-C4'-P energy: -44.302 tors. eta vs tors. theta energy: -85.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -916.052869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.052869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.052869 (E_RNA) where: Base-Base interactions energy: -623.399 where: short stacking energy: -250.837 Base-Backbone interact. energy: 0.991 local terms energy: -293.644991 where: bonds (distance) C4'-P energy: -52.944 bonds (distance) P-C4' energy: -62.672 flat angles C4'-P-C4' energy: -65.374 flat angles P-C4'-P energy: -41.628 tors. eta vs tors. theta energy: -71.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -821.743716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.743716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.743716 (E_RNA) where: Base-Base interactions energy: -522.531 where: short stacking energy: -243.350 Base-Backbone interact. energy: -1.030 local terms energy: -298.183431 where: bonds (distance) C4'-P energy: -55.517 bonds (distance) P-C4' energy: -60.687 flat angles C4'-P-C4' energy: -62.333 flat angles P-C4'-P energy: -52.135 tors. eta vs tors. theta energy: -67.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -710.168156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.168156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.168156 (E_RNA) where: Base-Base interactions energy: -447.918 where: short stacking energy: -220.201 Base-Backbone interact. energy: 0.950 local terms energy: -263.200306 where: bonds (distance) C4'-P energy: -58.788 bonds (distance) P-C4' energy: -52.071 flat angles C4'-P-C4' energy: -61.406 flat angles P-C4'-P energy: -35.888 tors. eta vs tors. theta energy: -55.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -476.412685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.412685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.412685 (E_RNA) where: Base-Base interactions energy: -243.429 where: short stacking energy: -145.563 Base-Backbone interact. energy: -0.650 local terms energy: -232.332920 where: bonds (distance) C4'-P energy: -50.872 bonds (distance) P-C4' energy: -69.788 flat angles C4'-P-C4' energy: -49.053 flat angles P-C4'-P energy: -42.529 tors. eta vs tors. theta energy: -20.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -421.796491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.796491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.796491 (E_RNA) where: Base-Base interactions energy: -212.284 where: short stacking energy: -129.533 Base-Backbone interact. energy: -0.336 local terms energy: -209.176207 where: bonds (distance) C4'-P energy: -53.577 bonds (distance) P-C4' energy: -62.658 flat angles C4'-P-C4' energy: -53.959 flat angles P-C4'-P energy: -32.949 tors. eta vs tors. theta energy: -6.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -266.216958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.216958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.216958 (E_RNA) where: Base-Base interactions energy: -119.810 where: short stacking energy: -87.966 Base-Backbone interact. energy: 1.155 local terms energy: -147.561573 where: bonds (distance) C4'-P energy: -36.722 bonds (distance) P-C4' energy: -50.175 flat angles C4'-P-C4' energy: -52.060 flat angles P-C4'-P energy: -19.766 tors. eta vs tors. theta energy: 11.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1129.947861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.947861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.947861 (E_RNA) where: Base-Base interactions energy: -791.474 where: short stacking energy: -314.905 Base-Backbone interact. energy: -0.293 local terms energy: -338.181288 where: bonds (distance) C4'-P energy: -59.150 bonds (distance) P-C4' energy: -65.569 flat angles C4'-P-C4' energy: -71.934 flat angles P-C4'-P energy: -54.025 tors. eta vs tors. theta energy: -87.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1120.810283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.810283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.810283 (E_RNA) where: Base-Base interactions energy: -788.795 where: short stacking energy: -324.187 Base-Backbone interact. energy: -0.558 local terms energy: -331.457746 where: bonds (distance) C4'-P energy: -50.381 bonds (distance) P-C4' energy: -70.822 flat angles C4'-P-C4' energy: -66.360 flat angles P-C4'-P energy: -49.909 tors. eta vs tors. theta energy: -93.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1021.846477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.846477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.846477 (E_RNA) where: Base-Base interactions energy: -687.347 where: short stacking energy: -297.258 Base-Backbone interact. energy: 2.935 local terms energy: -337.433821 where: bonds (distance) C4'-P energy: -63.149 bonds (distance) P-C4' energy: -63.847 flat angles C4'-P-C4' energy: -70.395 flat angles P-C4'-P energy: -48.952 tors. eta vs tors. theta energy: -91.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -949.923003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.923003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.923003 (E_RNA) where: Base-Base interactions energy: -650.955 where: short stacking energy: -276.411 Base-Backbone interact. energy: -1.293 local terms energy: -297.674954 where: bonds (distance) C4'-P energy: -56.204 bonds (distance) P-C4' energy: -61.781 flat angles C4'-P-C4' energy: -55.851 flat angles P-C4'-P energy: -45.962 tors. eta vs tors. theta energy: -77.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -943.554525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.554525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.554525 (E_RNA) where: Base-Base interactions energy: -625.226 where: short stacking energy: -279.996 Base-Backbone interact. energy: -1.203 local terms energy: -317.125897 where: bonds (distance) C4'-P energy: -54.616 bonds (distance) P-C4' energy: -71.931 flat angles C4'-P-C4' energy: -60.340 flat angles P-C4'-P energy: -43.267 tors. eta vs tors. theta energy: -86.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -834.403205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.403205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.403205 (E_RNA) where: Base-Base interactions energy: -552.128 where: short stacking energy: -257.180 Base-Backbone interact. energy: -1.370 local terms energy: -280.905417 where: bonds (distance) C4'-P energy: -39.529 bonds (distance) P-C4' energy: -61.384 flat angles C4'-P-C4' energy: -64.970 flat angles P-C4'-P energy: -38.200 tors. eta vs tors. theta energy: -76.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -684.030895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.030895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.030895 (E_RNA) where: Base-Base interactions energy: -425.855 where: short stacking energy: -206.320 Base-Backbone interact. energy: -0.405 local terms energy: -257.770742 where: bonds (distance) C4'-P energy: -53.179 bonds (distance) P-C4' energy: -58.300 flat angles C4'-P-C4' energy: -60.345 flat angles P-C4'-P energy: -44.849 tors. eta vs tors. theta energy: -41.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -473.596845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.596845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.596845 (E_RNA) where: Base-Base interactions energy: -282.363 where: short stacking energy: -126.196 Base-Backbone interact. energy: -1.726 local terms energy: -189.507944 where: bonds (distance) C4'-P energy: -47.385 bonds (distance) P-C4' energy: -59.808 flat angles C4'-P-C4' energy: -49.480 flat angles P-C4'-P energy: -17.027 tors. eta vs tors. theta energy: -15.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -456.084112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.084112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.084112 (E_RNA) where: Base-Base interactions energy: -245.484 where: short stacking energy: -140.293 Base-Backbone interact. energy: -1.170 local terms energy: -209.430640 where: bonds (distance) C4'-P energy: -54.780 bonds (distance) P-C4' energy: -53.854 flat angles C4'-P-C4' energy: -45.059 flat angles P-C4'-P energy: -38.827 tors. eta vs tors. theta energy: -16.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -292.884889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.884889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.884889 (E_RNA) where: Base-Base interactions energy: -102.688 where: short stacking energy: -79.221 Base-Backbone interact. energy: 5.072 local terms energy: -195.269117 where: bonds (distance) C4'-P energy: -49.868 bonds (distance) P-C4' energy: -55.012 flat angles C4'-P-C4' energy: -51.581 flat angles P-C4'-P energy: -33.216 tors. eta vs tors. theta energy: -5.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1160.345246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.345246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.345246 (E_RNA) where: Base-Base interactions energy: -806.429 where: short stacking energy: -340.732 Base-Backbone interact. energy: -0.918 local terms energy: -352.998205 where: bonds (distance) C4'-P energy: -70.229 bonds (distance) P-C4' energy: -63.700 flat angles C4'-P-C4' energy: -69.064 flat angles P-C4'-P energy: -50.512 tors. eta vs tors. theta energy: -99.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1121.012417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.012417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.012417 (E_RNA) where: Base-Base interactions energy: -784.972 where: short stacking energy: -299.973 Base-Backbone interact. energy: -0.443 local terms energy: -335.597521 where: bonds (distance) C4'-P energy: -58.388 bonds (distance) P-C4' energy: -65.782 flat angles C4'-P-C4' energy: -73.898 flat angles P-C4'-P energy: -45.660 tors. eta vs tors. theta energy: -91.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1038.682267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.682267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.682267 (E_RNA) where: Base-Base interactions energy: -727.646 where: short stacking energy: -298.881 Base-Backbone interact. energy: 6.858 local terms energy: -317.894651 where: bonds (distance) C4'-P energy: -57.506 bonds (distance) P-C4' energy: -63.268 flat angles C4'-P-C4' energy: -67.355 flat angles P-C4'-P energy: -44.867 tors. eta vs tors. theta energy: -84.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -942.755046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.755046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.755046 (E_RNA) where: Base-Base interactions energy: -637.755 where: short stacking energy: -253.601 Base-Backbone interact. energy: 0.498 local terms energy: -305.497625 where: bonds (distance) C4'-P energy: -68.258 bonds (distance) P-C4' energy: -51.160 flat angles C4'-P-C4' energy: -70.089 flat angles P-C4'-P energy: -39.793 tors. eta vs tors. theta energy: -76.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -920.660416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.660416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.660416 (E_RNA) where: Base-Base interactions energy: -610.088 where: short stacking energy: -273.633 Base-Backbone interact. energy: 0.372 local terms energy: -310.944450 where: bonds (distance) C4'-P energy: -57.358 bonds (distance) P-C4' energy: -61.200 flat angles C4'-P-C4' energy: -68.979 flat angles P-C4'-P energy: -41.951 tors. eta vs tors. theta energy: -81.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -832.778104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.778104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.778104 (E_RNA) where: Base-Base interactions energy: -554.569 where: short stacking energy: -249.727 Base-Backbone interact. energy: -1.763 local terms energy: -276.445432 where: bonds (distance) C4'-P energy: -52.453 bonds (distance) P-C4' energy: -55.012 flat angles C4'-P-C4' energy: -66.577 flat angles P-C4'-P energy: -38.966 tors. eta vs tors. theta energy: -63.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -677.024781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.024781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.024781 (E_RNA) where: Base-Base interactions energy: -437.829 where: short stacking energy: -197.204 Base-Backbone interact. energy: 1.299 local terms energy: -240.494777 where: bonds (distance) C4'-P energy: -46.095 bonds (distance) P-C4' energy: -60.553 flat angles C4'-P-C4' energy: -56.271 flat angles P-C4'-P energy: -39.679 tors. eta vs tors. theta energy: -37.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -525.125187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.125187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.125187 (E_RNA) where: Base-Base interactions energy: -318.865 where: short stacking energy: -136.834 Base-Backbone interact. energy: 5.597 local terms energy: -211.857775 where: bonds (distance) C4'-P energy: -48.199 bonds (distance) P-C4' energy: -61.624 flat angles C4'-P-C4' energy: -51.692 flat angles P-C4'-P energy: -28.375 tors. eta vs tors. theta energy: -21.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -467.175633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.175633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.175633 (E_RNA) where: Base-Base interactions energy: -239.127 where: short stacking energy: -126.424 Base-Backbone interact. energy: 4.708 local terms energy: -232.756128 where: bonds (distance) C4'-P energy: -55.631 bonds (distance) P-C4' energy: -68.189 flat angles C4'-P-C4' energy: -56.323 flat angles P-C4'-P energy: -41.339 tors. eta vs tors. theta energy: -11.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -268.154766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.154766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.154766 (E_RNA) where: Base-Base interactions energy: -99.298 where: short stacking energy: -69.260 Base-Backbone interact. energy: 0.190 local terms energy: -169.046570 where: bonds (distance) C4'-P energy: -53.712 bonds (distance) P-C4' energy: -48.106 flat angles C4'-P-C4' energy: -49.465 flat angles P-C4'-P energy: -28.449 tors. eta vs tors. theta energy: 10.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1139.329689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.329689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.329689 (E_RNA) where: Base-Base interactions energy: -800.427 where: short stacking energy: -346.871 Base-Backbone interact. energy: 3.821 local terms energy: -342.723684 where: bonds (distance) C4'-P energy: -58.108 bonds (distance) P-C4' energy: -57.452 flat angles C4'-P-C4' energy: -74.561 flat angles P-C4'-P energy: -48.006 tors. eta vs tors. theta energy: -104.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1127.600735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.600735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.600735 (E_RNA) where: Base-Base interactions energy: -790.198 where: short stacking energy: -316.827 Base-Backbone interact. energy: 4.558 local terms energy: -341.960360 where: bonds (distance) C4'-P energy: -65.733 bonds (distance) P-C4' energy: -59.015 flat angles C4'-P-C4' energy: -72.325 flat angles P-C4'-P energy: -52.751 tors. eta vs tors. theta energy: -92.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1017.233579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.233579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.233579 (E_RNA) where: Base-Base interactions energy: -685.163 where: short stacking energy: -291.245 Base-Backbone interact. energy: -1.012 local terms energy: -331.058902 where: bonds (distance) C4'-P energy: -55.468 bonds (distance) P-C4' energy: -66.191 flat angles C4'-P-C4' energy: -70.105 flat angles P-C4'-P energy: -53.521 tors. eta vs tors. theta energy: -85.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -945.622601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.622601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.622601 (E_RNA) where: Base-Base interactions energy: -625.776 where: short stacking energy: -273.324 Base-Backbone interact. energy: -2.401 local terms energy: -317.445995 where: bonds (distance) C4'-P energy: -62.916 bonds (distance) P-C4' energy: -62.490 flat angles C4'-P-C4' energy: -71.240 flat angles P-C4'-P energy: -39.982 tors. eta vs tors. theta energy: -80.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -923.315994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.315994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.315994 (E_RNA) where: Base-Base interactions energy: -623.250 where: short stacking energy: -287.979 Base-Backbone interact. energy: -0.714 local terms energy: -299.351963 where: bonds (distance) C4'-P energy: -62.370 bonds (distance) P-C4' energy: -52.484 flat angles C4'-P-C4' energy: -63.056 flat angles P-C4'-P energy: -44.404 tors. eta vs tors. theta energy: -77.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -804.234220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.234220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.234220 (E_RNA) where: Base-Base interactions energy: -521.450 where: short stacking energy: -258.175 Base-Backbone interact. energy: -3.844 local terms energy: -278.940283 where: bonds (distance) C4'-P energy: -66.246 bonds (distance) P-C4' energy: -51.369 flat angles C4'-P-C4' energy: -57.691 flat angles P-C4'-P energy: -48.572 tors. eta vs tors. theta energy: -55.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -648.082764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.082764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.082764 (E_RNA) where: Base-Base interactions energy: -420.790 where: short stacking energy: -203.307 Base-Backbone interact. energy: -3.444 local terms energy: -223.848340 where: bonds (distance) C4'-P energy: -51.206 bonds (distance) P-C4' energy: -50.353 flat angles C4'-P-C4' energy: -57.310 flat angles P-C4'-P energy: -30.287 tors. eta vs tors. theta energy: -34.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -450.192026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.192026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.192026 (E_RNA) where: Base-Base interactions energy: -243.925 where: short stacking energy: -144.428 Base-Backbone interact. energy: -1.410 local terms energy: -204.857000 where: bonds (distance) C4'-P energy: -48.650 bonds (distance) P-C4' energy: -53.009 flat angles C4'-P-C4' energy: -49.954 flat angles P-C4'-P energy: -31.494 tors. eta vs tors. theta energy: -21.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -527.723813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.723813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.723813 (E_RNA) where: Base-Base interactions energy: -322.325 where: short stacking energy: -156.928 Base-Backbone interact. energy: 0.399 local terms energy: -205.798128 where: bonds (distance) C4'-P energy: -46.947 bonds (distance) P-C4' energy: -49.549 flat angles C4'-P-C4' energy: -58.901 flat angles P-C4'-P energy: -22.463 tors. eta vs tors. theta energy: -27.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -271.496321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.496321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.496321 (E_RNA) where: Base-Base interactions energy: -97.162 where: short stacking energy: -91.220 Base-Backbone interact. energy: 0.100 local terms energy: -174.434515 where: bonds (distance) C4'-P energy: -54.741 bonds (distance) P-C4' energy: -55.630 flat angles C4'-P-C4' energy: -48.761 flat angles P-C4'-P energy: -11.852 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1148.779820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.779820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.779820 (E_RNA) where: Base-Base interactions energy: -814.402 where: short stacking energy: -308.745 Base-Backbone interact. energy: -3.257 local terms energy: -331.120883 where: bonds (distance) C4'-P energy: -66.580 bonds (distance) P-C4' energy: -66.864 flat angles C4'-P-C4' energy: -69.498 flat angles P-C4'-P energy: -43.052 tors. eta vs tors. theta energy: -85.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1112.615069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.615069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.615069 (E_RNA) where: Base-Base interactions energy: -777.726 where: short stacking energy: -323.512 Base-Backbone interact. energy: -0.878 local terms energy: -334.011313 where: bonds (distance) C4'-P energy: -59.992 bonds (distance) P-C4' energy: -69.801 flat angles C4'-P-C4' energy: -63.625 flat angles P-C4'-P energy: -44.580 tors. eta vs tors. theta energy: -96.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1025.208605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.208605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.208605 (E_RNA) where: Base-Base interactions energy: -720.696 where: short stacking energy: -304.432 Base-Backbone interact. energy: -2.094 local terms energy: -302.418954 where: bonds (distance) C4'-P energy: -53.837 bonds (distance) P-C4' energy: -56.022 flat angles C4'-P-C4' energy: -73.161 flat angles P-C4'-P energy: -41.884 tors. eta vs tors. theta energy: -77.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -954.751019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.751019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.751019 (E_RNA) where: Base-Base interactions energy: -656.091 where: short stacking energy: -277.895 Base-Backbone interact. energy: -1.852 local terms energy: -296.807818 where: bonds (distance) C4'-P energy: -58.082 bonds (distance) P-C4' energy: -54.927 flat angles C4'-P-C4' energy: -66.529 flat angles P-C4'-P energy: -41.495 tors. eta vs tors. theta energy: -75.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -936.054647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.054647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.054647 (E_RNA) where: Base-Base interactions energy: -629.282 where: short stacking energy: -294.607 Base-Backbone interact. energy: -1.294 local terms energy: -305.478493 where: bonds (distance) C4'-P energy: -53.003 bonds (distance) P-C4' energy: -62.890 flat angles C4'-P-C4' energy: -66.091 flat angles P-C4'-P energy: -43.497 tors. eta vs tors. theta energy: -79.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -784.242360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.242360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.242360 (E_RNA) where: Base-Base interactions energy: -503.153 where: short stacking energy: -232.231 Base-Backbone interact. energy: 1.242 local terms energy: -282.331656 where: bonds (distance) C4'-P energy: -53.323 bonds (distance) P-C4' energy: -65.650 flat angles C4'-P-C4' energy: -61.177 flat angles P-C4'-P energy: -41.217 tors. eta vs tors. theta energy: -60.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -588.057324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.057324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.057324 (E_RNA) where: Base-Base interactions energy: -377.917 where: short stacking energy: -171.595 Base-Backbone interact. energy: -0.997 local terms energy: -209.143238 where: bonds (distance) C4'-P energy: -56.312 bonds (distance) P-C4' energy: -43.426 flat angles C4'-P-C4' energy: -48.484 flat angles P-C4'-P energy: -33.464 tors. eta vs tors. theta energy: -27.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -495.133302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.133302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.133302 (E_RNA) where: Base-Base interactions energy: -272.151 where: short stacking energy: -147.009 Base-Backbone interact. energy: 1.175 local terms energy: -224.157686 where: bonds (distance) C4'-P energy: -53.287 bonds (distance) P-C4' energy: -67.563 flat angles C4'-P-C4' energy: -52.296 flat angles P-C4'-P energy: -28.255 tors. eta vs tors. theta energy: -22.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -514.939512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.939512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.939512 (E_RNA) where: Base-Base interactions energy: -311.869 where: short stacking energy: -158.441 Base-Backbone interact. energy: -0.368 local terms energy: -202.702124 where: bonds (distance) C4'-P energy: -56.825 bonds (distance) P-C4' energy: -37.315 flat angles C4'-P-C4' energy: -48.058 flat angles P-C4'-P energy: -28.012 tors. eta vs tors. theta energy: -32.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -267.653809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.653809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.653809 (E_RNA) where: Base-Base interactions energy: -67.969 where: short stacking energy: -60.584 Base-Backbone interact. energy: -1.131 local terms energy: -198.553609 where: bonds (distance) C4'-P energy: -51.035 bonds (distance) P-C4' energy: -64.587 flat angles C4'-P-C4' energy: -56.390 flat angles P-C4'-P energy: -31.924 tors. eta vs tors. theta energy: 5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1153.243397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.243397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.243397 (E_RNA) where: Base-Base interactions energy: -830.654 where: short stacking energy: -320.947 Base-Backbone interact. energy: -0.821 local terms energy: -321.768613 where: bonds (distance) C4'-P energy: -60.560 bonds (distance) P-C4' energy: -55.591 flat angles C4'-P-C4' energy: -64.266 flat angles P-C4'-P energy: -55.176 tors. eta vs tors. theta energy: -86.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1109.160012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.160012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.160012 (E_RNA) where: Base-Base interactions energy: -792.999 where: short stacking energy: -328.070 Base-Backbone interact. energy: 0.753 local terms energy: -316.913930 where: bonds (distance) C4'-P energy: -46.370 bonds (distance) P-C4' energy: -56.684 flat angles C4'-P-C4' energy: -67.114 flat angles P-C4'-P energy: -52.374 tors. eta vs tors. theta energy: -94.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1019.460353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.460353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.460353 (E_RNA) where: Base-Base interactions energy: -687.789 where: short stacking energy: -298.973 Base-Backbone interact. energy: -1.604 local terms energy: -330.067512 where: bonds (distance) C4'-P energy: -67.923 bonds (distance) P-C4' energy: -67.435 flat angles C4'-P-C4' energy: -61.419 flat angles P-C4'-P energy: -49.430 tors. eta vs tors. theta energy: -83.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -933.352700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.352700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.352700 (E_RNA) where: Base-Base interactions energy: -637.947 where: short stacking energy: -235.500 Base-Backbone interact. energy: -0.374 local terms energy: -295.032024 where: bonds (distance) C4'-P energy: -63.343 bonds (distance) P-C4' energy: -72.018 flat angles C4'-P-C4' energy: -59.409 flat angles P-C4'-P energy: -35.034 tors. eta vs tors. theta energy: -65.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -944.402048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.402048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.402048 (E_RNA) where: Base-Base interactions energy: -621.888 where: short stacking energy: -269.180 Base-Backbone interact. energy: -1.989 local terms energy: -320.524884 where: bonds (distance) C4'-P energy: -65.119 bonds (distance) P-C4' energy: -51.380 flat angles C4'-P-C4' energy: -63.801 flat angles P-C4'-P energy: -52.330 tors. eta vs tors. theta energy: -87.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -794.512488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.512488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.512488 (E_RNA) where: Base-Base interactions energy: -518.659 where: short stacking energy: -235.750 Base-Backbone interact. energy: -1.028 local terms energy: -274.824711 where: bonds (distance) C4'-P energy: -63.794 bonds (distance) P-C4' energy: -50.741 flat angles C4'-P-C4' energy: -64.681 flat angles P-C4'-P energy: -34.941 tors. eta vs tors. theta energy: -60.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -693.029461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.029461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.029461 (E_RNA) where: Base-Base interactions energy: -446.572 where: short stacking energy: -216.312 Base-Backbone interact. energy: -2.070 local terms energy: -244.388018 where: bonds (distance) C4'-P energy: -56.998 bonds (distance) P-C4' energy: -55.892 flat angles C4'-P-C4' energy: -55.940 flat angles P-C4'-P energy: -40.784 tors. eta vs tors. theta energy: -34.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -525.006044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.006044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.006044 (E_RNA) where: Base-Base interactions energy: -301.754 where: short stacking energy: -160.209 Base-Backbone interact. energy: 3.773 local terms energy: -227.024847 where: bonds (distance) C4'-P energy: -59.105 bonds (distance) P-C4' energy: -58.802 flat angles C4'-P-C4' energy: -46.835 flat angles P-C4'-P energy: -32.022 tors. eta vs tors. theta energy: -30.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -437.731320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.731320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.731320 (E_RNA) where: Base-Base interactions energy: -237.073 where: short stacking energy: -141.498 Base-Backbone interact. energy: 1.336 local terms energy: -201.995130 where: bonds (distance) C4'-P energy: -49.419 bonds (distance) P-C4' energy: -56.099 flat angles C4'-P-C4' energy: -52.689 flat angles P-C4'-P energy: -29.584 tors. eta vs tors. theta energy: -14.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -281.853946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.853946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.853946 (E_RNA) where: Base-Base interactions energy: -110.201 where: short stacking energy: -84.798 Base-Backbone interact. energy: -0.083 local terms energy: -171.570336 where: bonds (distance) C4'-P energy: -46.461 bonds (distance) P-C4' energy: -51.867 flat angles C4'-P-C4' energy: -38.384 flat angles P-C4'-P energy: -33.079 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1149.725778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.725778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.725778 (E_RNA) where: Base-Base interactions energy: -822.379 where: short stacking energy: -322.535 Base-Backbone interact. energy: -2.076 local terms energy: -325.270607 where: bonds (distance) C4'-P energy: -61.224 bonds (distance) P-C4' energy: -51.287 flat angles C4'-P-C4' energy: -70.487 flat angles P-C4'-P energy: -54.997 tors. eta vs tors. theta energy: -87.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1112.720323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.720323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.720323 (E_RNA) where: Base-Base interactions energy: -779.851 where: short stacking energy: -320.876 Base-Backbone interact. energy: -1.560 local terms energy: -331.309176 where: bonds (distance) C4'-P energy: -61.963 bonds (distance) P-C4' energy: -66.795 flat angles C4'-P-C4' energy: -67.642 flat angles P-C4'-P energy: -39.164 tors. eta vs tors. theta energy: -95.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1025.680481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.680481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.680481 (E_RNA) where: Base-Base interactions energy: -702.166 where: short stacking energy: -290.413 Base-Backbone interact. energy: -2.465 local terms energy: -321.050005 where: bonds (distance) C4'-P energy: -60.311 bonds (distance) P-C4' energy: -62.993 flat angles C4'-P-C4' energy: -76.005 flat angles P-C4'-P energy: -39.226 tors. eta vs tors. theta energy: -82.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -928.281274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.281274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.281274 (E_RNA) where: Base-Base interactions energy: -653.282 where: short stacking energy: -260.556 Base-Backbone interact. energy: -0.840 local terms energy: -274.158969 where: bonds (distance) C4'-P energy: -54.067 bonds (distance) P-C4' energy: -47.037 flat angles C4'-P-C4' energy: -66.376 flat angles P-C4'-P energy: -36.086 tors. eta vs tors. theta energy: -70.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -955.938119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.938119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.938119 (E_RNA) where: Base-Base interactions energy: -641.268 where: short stacking energy: -278.824 Base-Backbone interact. energy: -2.438 local terms energy: -312.232134 where: bonds (distance) C4'-P energy: -56.854 bonds (distance) P-C4' energy: -60.824 flat angles C4'-P-C4' energy: -70.326 flat angles P-C4'-P energy: -43.753 tors. eta vs tors. theta energy: -80.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -835.482447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.482447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.482447 (E_RNA) where: Base-Base interactions energy: -541.349 where: short stacking energy: -273.174 Base-Backbone interact. energy: -1.207 local terms energy: -292.926567 where: bonds (distance) C4'-P energy: -60.234 bonds (distance) P-C4' energy: -57.267 flat angles C4'-P-C4' energy: -54.478 flat angles P-C4'-P energy: -47.341 tors. eta vs tors. theta energy: -73.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -713.478849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.478849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.478849 (E_RNA) where: Base-Base interactions energy: -466.125 where: short stacking energy: -203.636 Base-Backbone interact. energy: -0.422 local terms energy: -246.931374 where: bonds (distance) C4'-P energy: -49.473 bonds (distance) P-C4' energy: -52.241 flat angles C4'-P-C4' energy: -51.069 flat angles P-C4'-P energy: -44.268 tors. eta vs tors. theta energy: -49.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -540.239854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.239854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.239854 (E_RNA) where: Base-Base interactions energy: -321.866 where: short stacking energy: -155.694 Base-Backbone interact. energy: 2.312 local terms energy: -220.685889 where: bonds (distance) C4'-P energy: -46.627 bonds (distance) P-C4' energy: -54.395 flat angles C4'-P-C4' energy: -47.300 flat angles P-C4'-P energy: -43.402 tors. eta vs tors. theta energy: -28.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -448.125867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.125867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.125867 (E_RNA) where: Base-Base interactions energy: -239.152 where: short stacking energy: -148.326 Base-Backbone interact. energy: -1.316 local terms energy: -207.657591 where: bonds (distance) C4'-P energy: -58.512 bonds (distance) P-C4' energy: -52.663 flat angles C4'-P-C4' energy: -50.833 flat angles P-C4'-P energy: -20.011 tors. eta vs tors. theta energy: -25.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -252.727181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.727181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.727181 (E_RNA) where: Base-Base interactions energy: -84.021 where: short stacking energy: -69.987 Base-Backbone interact. energy: -0.321 local terms energy: -168.385086 where: bonds (distance) C4'-P energy: -54.181 bonds (distance) P-C4' energy: -60.329 flat angles C4'-P-C4' energy: -42.098 flat angles P-C4'-P energy: -22.262 tors. eta vs tors. theta energy: 10.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1146.338818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.338818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.338818 (E_RNA) where: Base-Base interactions energy: -818.472 where: short stacking energy: -305.171 Base-Backbone interact. energy: -1.562 local terms energy: -326.304493 where: bonds (distance) C4'-P energy: -64.398 bonds (distance) P-C4' energy: -54.411 flat angles C4'-P-C4' energy: -71.511 flat angles P-C4'-P energy: -47.777 tors. eta vs tors. theta energy: -88.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1118.728813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.728813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.728813 (E_RNA) where: Base-Base interactions energy: -772.140 where: short stacking energy: -327.456 Base-Backbone interact. energy: -0.606 local terms energy: -345.983447 where: bonds (distance) C4'-P energy: -64.011 bonds (distance) P-C4' energy: -62.632 flat angles C4'-P-C4' energy: -72.136 flat angles P-C4'-P energy: -51.230 tors. eta vs tors. theta energy: -95.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1037.008710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.008710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.008710 (E_RNA) where: Base-Base interactions energy: -700.991 where: short stacking energy: -318.647 Base-Backbone interact. energy: -0.401 local terms energy: -335.617420 where: bonds (distance) C4'-P energy: -65.548 bonds (distance) P-C4' energy: -65.937 flat angles C4'-P-C4' energy: -71.462 flat angles P-C4'-P energy: -48.291 tors. eta vs tors. theta energy: -84.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -972.430865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.430865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.430865 (E_RNA) where: Base-Base interactions energy: -651.358 where: short stacking energy: -298.896 Base-Backbone interact. energy: -2.058 local terms energy: -319.015143 where: bonds (distance) C4'-P energy: -55.178 bonds (distance) P-C4' energy: -63.653 flat angles C4'-P-C4' energy: -67.485 flat angles P-C4'-P energy: -45.323 tors. eta vs tors. theta energy: -87.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -940.441649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.441649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.441649 (E_RNA) where: Base-Base interactions energy: -642.316 where: short stacking energy: -253.036 Base-Backbone interact. energy: -0.464 local terms energy: -297.661483 where: bonds (distance) C4'-P energy: -56.244 bonds (distance) P-C4' energy: -52.667 flat angles C4'-P-C4' energy: -69.258 flat angles P-C4'-P energy: -46.893 tors. eta vs tors. theta energy: -72.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -832.358607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.358607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.358607 (E_RNA) where: Base-Base interactions energy: -549.246 where: short stacking energy: -252.188 Base-Backbone interact. energy: 0.315 local terms energy: -283.427121 where: bonds (distance) C4'-P energy: -51.582 bonds (distance) P-C4' energy: -52.621 flat angles C4'-P-C4' energy: -66.577 flat angles P-C4'-P energy: -43.237 tors. eta vs tors. theta energy: -69.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -695.261679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.261679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.261679 (E_RNA) where: Base-Base interactions energy: -427.982 where: short stacking energy: -194.791 Base-Backbone interact. energy: -3.395 local terms energy: -263.884700 where: bonds (distance) C4'-P energy: -59.014 bonds (distance) P-C4' energy: -68.973 flat angles C4'-P-C4' energy: -48.842 flat angles P-C4'-P energy: -31.931 tors. eta vs tors. theta energy: -55.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -513.080729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.080729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.080729 (E_RNA) where: Base-Base interactions energy: -284.166 where: short stacking energy: -161.535 Base-Backbone interact. energy: -0.804 local terms energy: -228.110528 where: bonds (distance) C4'-P energy: -47.029 bonds (distance) P-C4' energy: -63.408 flat angles C4'-P-C4' energy: -55.409 flat angles P-C4'-P energy: -22.304 tors. eta vs tors. theta energy: -39.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -511.325442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.325442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.325442 (E_RNA) where: Base-Base interactions energy: -309.082 where: short stacking energy: -140.835 Base-Backbone interact. energy: -0.433 local terms energy: -201.810812 where: bonds (distance) C4'-P energy: -57.708 bonds (distance) P-C4' energy: -48.654 flat angles C4'-P-C4' energy: -53.363 flat angles P-C4'-P energy: -18.008 tors. eta vs tors. theta energy: -24.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -277.335217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.335217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.335217 (E_RNA) where: Base-Base interactions energy: -100.043 where: short stacking energy: -88.522 Base-Backbone interact. energy: 2.042 local terms energy: -179.334367 where: bonds (distance) C4'-P energy: -47.517 bonds (distance) P-C4' energy: -58.324 flat angles C4'-P-C4' energy: -55.368 flat angles P-C4'-P energy: -23.167 tors. eta vs tors. theta energy: 5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1142.708012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.708012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.708012 (E_RNA) where: Base-Base interactions energy: -805.910 where: short stacking energy: -313.839 Base-Backbone interact. energy: -1.258 local terms energy: -335.539781 where: bonds (distance) C4'-P energy: -70.251 bonds (distance) P-C4' energy: -62.989 flat angles C4'-P-C4' energy: -69.859 flat angles P-C4'-P energy: -48.339 tors. eta vs tors. theta energy: -84.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1118.512363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.512363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.512363 (E_RNA) where: Base-Base interactions energy: -770.800 where: short stacking energy: -327.621 Base-Backbone interact. energy: -1.726 local terms energy: -345.986898 where: bonds (distance) C4'-P energy: -58.724 bonds (distance) P-C4' energy: -68.660 flat angles C4'-P-C4' energy: -72.806 flat angles P-C4'-P energy: -53.035 tors. eta vs tors. theta energy: -92.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1026.150108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.150108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.150108 (E_RNA) where: Base-Base interactions energy: -713.622 where: short stacking energy: -308.102 Base-Backbone interact. energy: 0.394 local terms energy: -312.922425 where: bonds (distance) C4'-P energy: -60.539 bonds (distance) P-C4' energy: -58.907 flat angles C4'-P-C4' energy: -60.671 flat angles P-C4'-P energy: -49.563 tors. eta vs tors. theta energy: -83.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -941.781469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.781469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.781469 (E_RNA) where: Base-Base interactions energy: -629.805 where: short stacking energy: -286.260 Base-Backbone interact. energy: -2.601 local terms energy: -309.374840 where: bonds (distance) C4'-P energy: -42.679 bonds (distance) P-C4' energy: -64.551 flat angles C4'-P-C4' energy: -67.548 flat angles P-C4'-P energy: -49.807 tors. eta vs tors. theta energy: -84.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -922.492169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.492169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.492169 (E_RNA) where: Base-Base interactions energy: -638.088 where: short stacking energy: -268.264 Base-Backbone interact. energy: -0.615 local terms energy: -283.789372 where: bonds (distance) C4'-P energy: -52.791 bonds (distance) P-C4' energy: -49.779 flat angles C4'-P-C4' energy: -69.273 flat angles P-C4'-P energy: -42.797 tors. eta vs tors. theta energy: -69.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -825.861942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.861942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.861942 (E_RNA) where: Base-Base interactions energy: -534.763 where: short stacking energy: -255.622 Base-Backbone interact. energy: -1.196 local terms energy: -289.902537 where: bonds (distance) C4'-P energy: -58.677 bonds (distance) P-C4' energy: -54.505 flat angles C4'-P-C4' energy: -62.234 flat angles P-C4'-P energy: -42.867 tors. eta vs tors. theta energy: -71.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -677.938909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.938909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.938909 (E_RNA) where: Base-Base interactions energy: -447.837 where: short stacking energy: -192.000 Base-Backbone interact. energy: -1.718 local terms energy: -228.384206 where: bonds (distance) C4'-P energy: -48.338 bonds (distance) P-C4' energy: -50.131 flat angles C4'-P-C4' energy: -52.286 flat angles P-C4'-P energy: -38.050 tors. eta vs tors. theta energy: -39.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -495.980088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.980088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.980088 (E_RNA) where: Base-Base interactions energy: -297.636 where: short stacking energy: -152.472 Base-Backbone interact. energy: 0.982 local terms energy: -199.326415 where: bonds (distance) C4'-P energy: -44.186 bonds (distance) P-C4' energy: -52.907 flat angles C4'-P-C4' energy: -53.215 flat angles P-C4'-P energy: -29.523 tors. eta vs tors. theta energy: -19.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -524.445445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.445445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.445445 (E_RNA) where: Base-Base interactions energy: -330.742 where: short stacking energy: -152.888 Base-Backbone interact. energy: -1.173 local terms energy: -192.530905 where: bonds (distance) C4'-P energy: -32.586 bonds (distance) P-C4' energy: -57.333 flat angles C4'-P-C4' energy: -51.564 flat angles P-C4'-P energy: -32.637 tors. eta vs tors. theta energy: -18.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -263.075965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.075965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.075965 (E_RNA) where: Base-Base interactions energy: -97.998 where: short stacking energy: -68.698 Base-Backbone interact. energy: 0.575 local terms energy: -165.652575 where: bonds (distance) C4'-P energy: -51.487 bonds (distance) P-C4' energy: -48.648 flat angles C4'-P-C4' energy: -43.038 flat angles P-C4'-P energy: -23.503 tors. eta vs tors. theta energy: 1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1156.837697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.837697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.837697 (E_RNA) where: Base-Base interactions energy: -808.745 where: short stacking energy: -315.080 Base-Backbone interact. energy: -2.406 local terms energy: -345.686867 where: bonds (distance) C4'-P energy: -61.579 bonds (distance) P-C4' energy: -70.692 flat angles C4'-P-C4' energy: -71.657 flat angles P-C4'-P energy: -52.745 tors. eta vs tors. theta energy: -89.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1089.256167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.256167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.256167 (E_RNA) where: Base-Base interactions energy: -747.702 where: short stacking energy: -306.343 Base-Backbone interact. energy: -1.349 local terms energy: -340.204866 where: bonds (distance) C4'-P energy: -65.326 bonds (distance) P-C4' energy: -74.226 flat angles C4'-P-C4' energy: -70.263 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: -86.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1010.127716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.127716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.127716 (E_RNA) where: Base-Base interactions energy: -704.630 where: short stacking energy: -285.203 Base-Backbone interact. energy: -1.471 local terms energy: -304.026312 where: bonds (distance) C4'-P energy: -50.957 bonds (distance) P-C4' energy: -67.034 flat angles C4'-P-C4' energy: -65.523 flat angles P-C4'-P energy: -35.991 tors. eta vs tors. theta energy: -84.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -947.404679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.404679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.404679 (E_RNA) where: Base-Base interactions energy: -647.175 where: short stacking energy: -261.855 Base-Backbone interact. energy: 0.023 local terms energy: -300.252787 where: bonds (distance) C4'-P energy: -67.341 bonds (distance) P-C4' energy: -64.145 flat angles C4'-P-C4' energy: -66.140 flat angles P-C4'-P energy: -35.327 tors. eta vs tors. theta energy: -67.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -942.613110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.613110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.613110 (E_RNA) where: Base-Base interactions energy: -634.130 where: short stacking energy: -272.850 Base-Backbone interact. energy: -0.708 local terms energy: -307.774951 where: bonds (distance) C4'-P energy: -58.365 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -58.309 flat angles P-C4'-P energy: -38.880 tors. eta vs tors. theta energy: -89.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -821.488608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.488608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.488608 (E_RNA) where: Base-Base interactions energy: -534.902 where: short stacking energy: -259.996 Base-Backbone interact. energy: -1.258 local terms energy: -285.328355 where: bonds (distance) C4'-P energy: -52.578 bonds (distance) P-C4' energy: -52.628 flat angles C4'-P-C4' energy: -66.801 flat angles P-C4'-P energy: -41.491 tors. eta vs tors. theta energy: -71.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -688.085272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.085272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.085272 (E_RNA) where: Base-Base interactions energy: -426.065 where: short stacking energy: -200.622 Base-Backbone interact. energy: -1.165 local terms energy: -260.855221 where: bonds (distance) C4'-P energy: -59.083 bonds (distance) P-C4' energy: -56.606 flat angles C4'-P-C4' energy: -59.468 flat angles P-C4'-P energy: -42.564 tors. eta vs tors. theta energy: -43.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -565.058842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.058842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.058842 (E_RNA) where: Base-Base interactions energy: -349.033 where: short stacking energy: -154.496 Base-Backbone interact. energy: -2.805 local terms energy: -213.220801 where: bonds (distance) C4'-P energy: -40.393 bonds (distance) P-C4' energy: -60.470 flat angles C4'-P-C4' energy: -53.211 flat angles P-C4'-P energy: -38.431 tors. eta vs tors. theta energy: -20.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -494.346552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.346552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.346552 (E_RNA) where: Base-Base interactions energy: -286.626 where: short stacking energy: -146.175 Base-Backbone interact. energy: -1.054 local terms energy: -206.666394 where: bonds (distance) C4'-P energy: -48.966 bonds (distance) P-C4' energy: -58.524 flat angles C4'-P-C4' energy: -58.240 flat angles P-C4'-P energy: -27.500 tors. eta vs tors. theta energy: -13.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -261.685733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.685733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.685733 (E_RNA) where: Base-Base interactions energy: -73.522 where: short stacking energy: -64.127 Base-Backbone interact. energy: 1.787 local terms energy: -189.950818 where: bonds (distance) C4'-P energy: -63.227 bonds (distance) P-C4' energy: -63.288 flat angles C4'-P-C4' energy: -30.727 flat angles P-C4'-P energy: -27.948 tors. eta vs tors. theta energy: -4.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1128.918695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.918695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.918695 (E_RNA) where: Base-Base interactions energy: -799.321 where: short stacking energy: -323.883 Base-Backbone interact. energy: 2.523 local terms energy: -332.120393 where: bonds (distance) C4'-P energy: -64.786 bonds (distance) P-C4' energy: -66.268 flat angles C4'-P-C4' energy: -63.735 flat angles P-C4'-P energy: -45.702 tors. eta vs tors. theta energy: -91.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1113.432766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.432766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.432766 (E_RNA) where: Base-Base interactions energy: -788.084 where: short stacking energy: -304.280 Base-Backbone interact. energy: 2.717 local terms energy: -328.065982 where: bonds (distance) C4'-P energy: -62.387 bonds (distance) P-C4' energy: -68.524 flat angles C4'-P-C4' energy: -71.849 flat angles P-C4'-P energy: -40.236 tors. eta vs tors. theta energy: -85.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1029.569075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.569075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.569075 (E_RNA) where: Base-Base interactions energy: -703.541 where: short stacking energy: -298.101 Base-Backbone interact. energy: -2.056 local terms energy: -323.971818 where: bonds (distance) C4'-P energy: -62.087 bonds (distance) P-C4' energy: -62.546 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -44.179 tors. eta vs tors. theta energy: -90.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -945.140364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.140364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.140364 (E_RNA) where: Base-Base interactions energy: -649.797 where: short stacking energy: -271.227 Base-Backbone interact. energy: -0.773 local terms energy: -294.570443 where: bonds (distance) C4'-P energy: -58.966 bonds (distance) P-C4' energy: -54.154 flat angles C4'-P-C4' energy: -67.606 flat angles P-C4'-P energy: -37.930 tors. eta vs tors. theta energy: -75.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -928.992684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.992684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.992684 (E_RNA) where: Base-Base interactions energy: -628.523 where: short stacking energy: -283.533 Base-Backbone interact. energy: -1.475 local terms energy: -298.995390 where: bonds (distance) C4'-P energy: -49.939 bonds (distance) P-C4' energy: -47.225 flat angles C4'-P-C4' energy: -65.940 flat angles P-C4'-P energy: -49.020 tors. eta vs tors. theta energy: -86.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -807.474567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.474567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.474567 (E_RNA) where: Base-Base interactions energy: -525.589 where: short stacking energy: -246.895 Base-Backbone interact. energy: -0.566 local terms energy: -281.319590 where: bonds (distance) C4'-P energy: -56.954 bonds (distance) P-C4' energy: -60.014 flat angles C4'-P-C4' energy: -70.773 flat angles P-C4'-P energy: -37.717 tors. eta vs tors. theta energy: -55.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -717.245764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.245764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.245764 (E_RNA) where: Base-Base interactions energy: -458.702 where: short stacking energy: -217.269 Base-Backbone interact. energy: 0.600 local terms energy: -259.143731 where: bonds (distance) C4'-P energy: -56.253 bonds (distance) P-C4' energy: -61.014 flat angles C4'-P-C4' energy: -55.144 flat angles P-C4'-P energy: -37.982 tors. eta vs tors. theta energy: -48.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -535.452599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.452599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.452599 (E_RNA) where: Base-Base interactions energy: -334.341 where: short stacking energy: -155.732 Base-Backbone interact. energy: 1.539 local terms energy: -202.650457 where: bonds (distance) C4'-P energy: -53.631 bonds (distance) P-C4' energy: -61.634 flat angles C4'-P-C4' energy: -40.065 flat angles P-C4'-P energy: -23.715 tors. eta vs tors. theta energy: -23.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -461.678593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.678593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.678593 (E_RNA) where: Base-Base interactions energy: -260.599 where: short stacking energy: -139.086 Base-Backbone interact. energy: 0.826 local terms energy: -201.904753 where: bonds (distance) C4'-P energy: -33.116 bonds (distance) P-C4' energy: -61.088 flat angles C4'-P-C4' energy: -56.717 flat angles P-C4'-P energy: -29.005 tors. eta vs tors. theta energy: -21.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -266.920257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.920257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.920257 (E_RNA) where: Base-Base interactions energy: -88.661 where: short stacking energy: -77.131 Base-Backbone interact. energy: 0.069 local terms energy: -178.328544 where: bonds (distance) C4'-P energy: -46.209 bonds (distance) P-C4' energy: -64.965 flat angles C4'-P-C4' energy: -52.916 flat angles P-C4'-P energy: -26.915 tors. eta vs tors. theta energy: 12.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1118.031266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.031266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.031266 (E_RNA) where: Base-Base interactions energy: -776.140 where: short stacking energy: -317.514 Base-Backbone interact. energy: -1.246 local terms energy: -340.645910 where: bonds (distance) C4'-P energy: -62.466 bonds (distance) P-C4' energy: -72.410 flat angles C4'-P-C4' energy: -71.095 flat angles P-C4'-P energy: -46.330 tors. eta vs tors. theta energy: -88.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1118.531830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.531830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.531830 (E_RNA) where: Base-Base interactions energy: -785.937 where: short stacking energy: -298.749 Base-Backbone interact. energy: -2.641 local terms energy: -329.953879 where: bonds (distance) C4'-P energy: -61.256 bonds (distance) P-C4' energy: -60.609 flat angles C4'-P-C4' energy: -76.655 flat angles P-C4'-P energy: -47.331 tors. eta vs tors. theta energy: -84.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1041.513016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.513016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.513016 (E_RNA) where: Base-Base interactions energy: -728.445 where: short stacking energy: -305.087 Base-Backbone interact. energy: 0.531 local terms energy: -313.598234 where: bonds (distance) C4'-P energy: -51.959 bonds (distance) P-C4' energy: -58.705 flat angles C4'-P-C4' energy: -70.122 flat angles P-C4'-P energy: -43.811 tors. eta vs tors. theta energy: -89.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -968.546127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.546127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.546127 (E_RNA) where: Base-Base interactions energy: -650.477 where: short stacking energy: -281.062 Base-Backbone interact. energy: -1.111 local terms energy: -316.958315 where: bonds (distance) C4'-P energy: -52.970 bonds (distance) P-C4' energy: -58.846 flat angles C4'-P-C4' energy: -72.778 flat angles P-C4'-P energy: -41.911 tors. eta vs tors. theta energy: -90.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -912.777499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.777499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.777499 (E_RNA) where: Base-Base interactions energy: -640.711 where: short stacking energy: -255.972 Base-Backbone interact. energy: 5.167 local terms energy: -277.233369 where: bonds (distance) C4'-P energy: -55.015 bonds (distance) P-C4' energy: -50.703 flat angles C4'-P-C4' energy: -56.451 flat angles P-C4'-P energy: -34.219 tors. eta vs tors. theta energy: -80.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -815.250733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.250733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.250733 (E_RNA) where: Base-Base interactions energy: -543.206 where: short stacking energy: -250.649 Base-Backbone interact. energy: -1.029 local terms energy: -271.015214 where: bonds (distance) C4'-P energy: -58.517 bonds (distance) P-C4' energy: -60.552 flat angles C4'-P-C4' energy: -60.905 flat angles P-C4'-P energy: -28.892 tors. eta vs tors. theta energy: -62.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -702.492944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.492944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.492944 (E_RNA) where: Base-Base interactions energy: -449.106 where: short stacking energy: -212.796 Base-Backbone interact. energy: 2.139 local terms energy: -255.525191 where: bonds (distance) C4'-P energy: -56.071 bonds (distance) P-C4' energy: -62.333 flat angles C4'-P-C4' energy: -58.786 flat angles P-C4'-P energy: -31.995 tors. eta vs tors. theta energy: -46.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -593.166236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.166236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.166236 (E_RNA) where: Base-Base interactions energy: -356.049 where: short stacking energy: -177.430 Base-Backbone interact. energy: -1.364 local terms energy: -235.753229 where: bonds (distance) C4'-P energy: -58.706 bonds (distance) P-C4' energy: -39.959 flat angles C4'-P-C4' energy: -54.025 flat angles P-C4'-P energy: -44.656 tors. eta vs tors. theta energy: -38.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -484.927907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.927907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.927907 (E_RNA) where: Base-Base interactions energy: -290.319 where: short stacking energy: -163.758 Base-Backbone interact. energy: -1.409 local terms energy: -193.200111 where: bonds (distance) C4'-P energy: -32.464 bonds (distance) P-C4' energy: -53.769 flat angles C4'-P-C4' energy: -50.848 flat angles P-C4'-P energy: -27.266 tors. eta vs tors. theta energy: -28.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -272.717109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.717109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.717109 (E_RNA) where: Base-Base interactions energy: -95.946 where: short stacking energy: -86.979 Base-Backbone interact. energy: -0.363 local terms energy: -176.408030 where: bonds (distance) C4'-P energy: -60.362 bonds (distance) P-C4' energy: -60.788 flat angles C4'-P-C4' energy: -36.156 flat angles P-C4'-P energy: -34.672 tors. eta vs tors. theta energy: 15.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1157.618907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.618907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.618907 (E_RNA) where: Base-Base interactions energy: -793.928 where: short stacking energy: -311.872 Base-Backbone interact. energy: -1.743 local terms energy: -361.948484 where: bonds (distance) C4'-P energy: -70.970 bonds (distance) P-C4' energy: -65.484 flat angles C4'-P-C4' energy: -76.766 flat angles P-C4'-P energy: -53.229 tors. eta vs tors. theta energy: -95.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1084.738670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.738670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.738670 (E_RNA) where: Base-Base interactions energy: -755.202 where: short stacking energy: -305.526 Base-Backbone interact. energy: -0.778 local terms energy: -328.758432 where: bonds (distance) C4'-P energy: -66.254 bonds (distance) P-C4' energy: -61.561 flat angles C4'-P-C4' energy: -67.190 flat angles P-C4'-P energy: -46.111 tors. eta vs tors. theta energy: -87.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1038.457583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.457583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.457583 (E_RNA) where: Base-Base interactions energy: -721.711 where: short stacking energy: -298.539 Base-Backbone interact. energy: -1.387 local terms energy: -315.360443 where: bonds (distance) C4'-P energy: -59.953 bonds (distance) P-C4' energy: -61.826 flat angles C4'-P-C4' energy: -56.259 flat angles P-C4'-P energy: -43.743 tors. eta vs tors. theta energy: -93.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -952.439513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.439513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.439513 (E_RNA) where: Base-Base interactions energy: -633.882 where: short stacking energy: -271.703 Base-Backbone interact. energy: 0.794 local terms energy: -319.351341 where: bonds (distance) C4'-P energy: -56.206 bonds (distance) P-C4' energy: -71.879 flat angles C4'-P-C4' energy: -63.419 flat angles P-C4'-P energy: -47.277 tors. eta vs tors. theta energy: -80.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -948.373307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.373307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.373307 (E_RNA) where: Base-Base interactions energy: -650.996 where: short stacking energy: -268.218 Base-Backbone interact. energy: 3.356 local terms energy: -300.733658 where: bonds (distance) C4'-P energy: -50.108 bonds (distance) P-C4' energy: -54.961 flat angles C4'-P-C4' energy: -68.517 flat angles P-C4'-P energy: -42.422 tors. eta vs tors. theta energy: -84.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -810.093433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.093433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.093433 (E_RNA) where: Base-Base interactions energy: -527.376 where: short stacking energy: -266.285 Base-Backbone interact. energy: -0.614 local terms energy: -282.103235 where: bonds (distance) C4'-P energy: -54.903 bonds (distance) P-C4' energy: -51.889 flat angles C4'-P-C4' energy: -68.224 flat angles P-C4'-P energy: -33.218 tors. eta vs tors. theta energy: -73.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -694.666072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.666072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.666072 (E_RNA) where: Base-Base interactions energy: -422.672 where: short stacking energy: -203.935 Base-Backbone interact. energy: -0.685 local terms energy: -271.308597 where: bonds (distance) C4'-P energy: -63.028 bonds (distance) P-C4' energy: -50.697 flat angles C4'-P-C4' energy: -57.331 flat angles P-C4'-P energy: -44.915 tors. eta vs tors. theta energy: -55.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -555.744985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.744985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.744985 (E_RNA) where: Base-Base interactions energy: -335.503 where: short stacking energy: -154.709 Base-Backbone interact. energy: 1.034 local terms energy: -221.275833 where: bonds (distance) C4'-P energy: -58.012 bonds (distance) P-C4' energy: -54.477 flat angles C4'-P-C4' energy: -51.789 flat angles P-C4'-P energy: -32.818 tors. eta vs tors. theta energy: -24.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -463.882967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.882967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.882967 (E_RNA) where: Base-Base interactions energy: -255.548 where: short stacking energy: -130.627 Base-Backbone interact. energy: 0.663 local terms energy: -208.998110 where: bonds (distance) C4'-P energy: -50.254 bonds (distance) P-C4' energy: -57.018 flat angles C4'-P-C4' energy: -49.098 flat angles P-C4'-P energy: -32.266 tors. eta vs tors. theta energy: -20.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -277.909709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.909709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.909709 (E_RNA) where: Base-Base interactions energy: -115.327 where: short stacking energy: -82.956 Base-Backbone interact. energy: 1.823 local terms energy: -164.405993 where: bonds (distance) C4'-P energy: -36.038 bonds (distance) P-C4' energy: -53.587 flat angles C4'-P-C4' energy: -43.490 flat angles P-C4'-P energy: -25.936 tors. eta vs tors. theta energy: -5.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1184.502024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.502024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.502024 (E_RNA) where: Base-Base interactions energy: -840.652 where: short stacking energy: -331.804 Base-Backbone interact. energy: -1.306 local terms energy: -342.544273 where: bonds (distance) C4'-P energy: -68.215 bonds (distance) P-C4' energy: -64.403 flat angles C4'-P-C4' energy: -70.881 flat angles P-C4'-P energy: -42.697 tors. eta vs tors. theta energy: -96.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1090.746570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.746570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.746570 (E_RNA) where: Base-Base interactions energy: -765.984 where: short stacking energy: -322.960 Base-Backbone interact. energy: 0.196 local terms energy: -324.958733 where: bonds (distance) C4'-P energy: -59.672 bonds (distance) P-C4' energy: -56.636 flat angles C4'-P-C4' energy: -70.082 flat angles P-C4'-P energy: -50.421 tors. eta vs tors. theta energy: -88.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1052.397904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.397904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.397904 (E_RNA) where: Base-Base interactions energy: -737.126 where: short stacking energy: -320.099 Base-Backbone interact. energy: 0.643 local terms energy: -315.914970 where: bonds (distance) C4'-P energy: -60.166 bonds (distance) P-C4' energy: -63.451 flat angles C4'-P-C4' energy: -64.025 flat angles P-C4'-P energy: -41.089 tors. eta vs tors. theta energy: -87.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -989.167141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.167141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.167141 (E_RNA) where: Base-Base interactions energy: -650.704 where: short stacking energy: -293.172 Base-Backbone interact. energy: -2.734 local terms energy: -335.728949 where: bonds (distance) C4'-P energy: -63.652 bonds (distance) P-C4' energy: -59.335 flat angles C4'-P-C4' energy: -70.692 flat angles P-C4'-P energy: -54.480 tors. eta vs tors. theta energy: -87.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -916.415098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.415098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.415098 (E_RNA) where: Base-Base interactions energy: -624.224 where: short stacking energy: -261.560 Base-Backbone interact. energy: -1.266 local terms energy: -290.925307 where: bonds (distance) C4'-P energy: -53.661 bonds (distance) P-C4' energy: -53.563 flat angles C4'-P-C4' energy: -61.899 flat angles P-C4'-P energy: -41.911 tors. eta vs tors. theta energy: -79.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -810.812905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.812905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.812905 (E_RNA) where: Base-Base interactions energy: -525.349 where: short stacking energy: -244.339 Base-Backbone interact. energy: -0.949 local terms energy: -284.514844 where: bonds (distance) C4'-P energy: -60.129 bonds (distance) P-C4' energy: -52.490 flat angles C4'-P-C4' energy: -62.835 flat angles P-C4'-P energy: -45.761 tors. eta vs tors. theta energy: -63.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -667.201809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.201809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.201809 (E_RNA) where: Base-Base interactions energy: -434.146 where: short stacking energy: -199.542 Base-Backbone interact. energy: -0.354 local terms energy: -232.702022 where: bonds (distance) C4'-P energy: -49.276 bonds (distance) P-C4' energy: -50.031 flat angles C4'-P-C4' energy: -61.009 flat angles P-C4'-P energy: -34.029 tors. eta vs tors. theta energy: -38.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -555.301608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.301608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.301608 (E_RNA) where: Base-Base interactions energy: -337.999 where: short stacking energy: -181.388 Base-Backbone interact. energy: 2.404 local terms energy: -219.705917 where: bonds (distance) C4'-P energy: -57.668 bonds (distance) P-C4' energy: -52.312 flat angles C4'-P-C4' energy: -49.992 flat angles P-C4'-P energy: -27.577 tors. eta vs tors. theta energy: -32.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -484.444405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.444405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.444405 (E_RNA) where: Base-Base interactions energy: -274.302 where: short stacking energy: -144.990 Base-Backbone interact. energy: 0.052 local terms energy: -210.194058 where: bonds (distance) C4'-P energy: -51.833 bonds (distance) P-C4' energy: -56.471 flat angles C4'-P-C4' energy: -47.734 flat angles P-C4'-P energy: -37.139 tors. eta vs tors. theta energy: -17.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -318.035645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.035645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.035645 (E_RNA) where: Base-Base interactions energy: -145.127 where: short stacking energy: -82.700 Base-Backbone interact. energy: 0.551 local terms energy: -173.459467 where: bonds (distance) C4'-P energy: -52.787 bonds (distance) P-C4' energy: -50.777 flat angles C4'-P-C4' energy: -44.345 flat angles P-C4'-P energy: -31.058 tors. eta vs tors. theta energy: 5.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1150.817714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.817714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.817714 (E_RNA) where: Base-Base interactions energy: -813.437 where: short stacking energy: -304.969 Base-Backbone interact. energy: -2.293 local terms energy: -335.088063 where: bonds (distance) C4'-P energy: -57.051 bonds (distance) P-C4' energy: -66.347 flat angles C4'-P-C4' energy: -73.431 flat angles P-C4'-P energy: -45.527 tors. eta vs tors. theta energy: -92.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1100.526280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.526280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.526280 (E_RNA) where: Base-Base interactions energy: -753.274 where: short stacking energy: -319.939 Base-Backbone interact. energy: -1.447 local terms energy: -345.804536 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -60.901 flat angles C4'-P-C4' energy: -73.870 flat angles P-C4'-P energy: -56.922 tors. eta vs tors. theta energy: -93.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1067.635229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.635229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.635229 (E_RNA) where: Base-Base interactions energy: -744.611 where: short stacking energy: -304.172 Base-Backbone interact. energy: 0.740 local terms energy: -323.764799 where: bonds (distance) C4'-P energy: -59.624 bonds (distance) P-C4' energy: -67.974 flat angles C4'-P-C4' energy: -70.025 flat angles P-C4'-P energy: -39.602 tors. eta vs tors. theta energy: -86.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -980.359852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.359852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.359852 (E_RNA) where: Base-Base interactions energy: -660.618 where: short stacking energy: -289.221 Base-Backbone interact. energy: -2.976 local terms energy: -316.765126 where: bonds (distance) C4'-P energy: -57.643 bonds (distance) P-C4' energy: -66.844 flat angles C4'-P-C4' energy: -66.191 flat angles P-C4'-P energy: -46.896 tors. eta vs tors. theta energy: -79.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -926.238607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.238607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.238607 (E_RNA) where: Base-Base interactions energy: -616.314 where: short stacking energy: -257.052 Base-Backbone interact. energy: -1.804 local terms energy: -308.121081 where: bonds (distance) C4'-P energy: -63.539 bonds (distance) P-C4' energy: -59.971 flat angles C4'-P-C4' energy: -63.441 flat angles P-C4'-P energy: -45.828 tors. eta vs tors. theta energy: -75.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -816.122304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.122304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.122304 (E_RNA) where: Base-Base interactions energy: -519.681 where: short stacking energy: -232.627 Base-Backbone interact. energy: -0.363 local terms energy: -296.077784 where: bonds (distance) C4'-P energy: -61.380 bonds (distance) P-C4' energy: -54.825 flat angles C4'-P-C4' energy: -64.859 flat angles P-C4'-P energy: -51.636 tors. eta vs tors. theta energy: -63.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -683.849214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.849214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.849214 (E_RNA) where: Base-Base interactions energy: -427.813 where: short stacking energy: -213.296 Base-Backbone interact. energy: -0.714 local terms energy: -255.322041 where: bonds (distance) C4'-P energy: -56.676 bonds (distance) P-C4' energy: -58.249 flat angles C4'-P-C4' energy: -60.554 flat angles P-C4'-P energy: -32.986 tors. eta vs tors. theta energy: -46.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -539.964865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.964865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.964865 (E_RNA) where: Base-Base interactions energy: -319.063 where: short stacking energy: -153.420 Base-Backbone interact. energy: -2.180 local terms energy: -218.721007 where: bonds (distance) C4'-P energy: -48.650 bonds (distance) P-C4' energy: -52.558 flat angles C4'-P-C4' energy: -49.225 flat angles P-C4'-P energy: -42.154 tors. eta vs tors. theta energy: -26.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -523.079550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.079550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.079550 (E_RNA) where: Base-Base interactions energy: -284.457 where: short stacking energy: -159.790 Base-Backbone interact. energy: -0.907 local terms energy: -237.716071 where: bonds (distance) C4'-P energy: -32.067 bonds (distance) P-C4' energy: -72.438 flat angles C4'-P-C4' energy: -66.300 flat angles P-C4'-P energy: -36.820 tors. eta vs tors. theta energy: -30.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -328.564563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.564563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.564563 (E_RNA) where: Base-Base interactions energy: -149.767 where: short stacking energy: -88.582 Base-Backbone interact. energy: -1.087 local terms energy: -177.711062 where: bonds (distance) C4'-P energy: -56.033 bonds (distance) P-C4' energy: -54.496 flat angles C4'-P-C4' energy: -41.848 flat angles P-C4'-P energy: -34.105 tors. eta vs tors. theta energy: 8.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1152.956257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.956257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.956257 (E_RNA) where: Base-Base interactions energy: -810.348 where: short stacking energy: -312.016 Base-Backbone interact. energy: -0.837 local terms energy: -341.770812 where: bonds (distance) C4'-P energy: -61.021 bonds (distance) P-C4' energy: -62.167 flat angles C4'-P-C4' energy: -72.740 flat angles P-C4'-P energy: -49.282 tors. eta vs tors. theta energy: -96.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1092.160205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.160205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.160205 (E_RNA) where: Base-Base interactions energy: -755.989 where: short stacking energy: -327.911 Base-Backbone interact. energy: -0.745 local terms energy: -335.426154 where: bonds (distance) C4'-P energy: -62.042 bonds (distance) P-C4' energy: -63.005 flat angles C4'-P-C4' energy: -70.910 flat angles P-C4'-P energy: -40.483 tors. eta vs tors. theta energy: -98.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1060.619409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.619409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.619409 (E_RNA) where: Base-Base interactions energy: -742.508 where: short stacking energy: -315.298 Base-Backbone interact. energy: -1.827 local terms energy: -316.284064 where: bonds (distance) C4'-P energy: -56.628 bonds (distance) P-C4' energy: -60.206 flat angles C4'-P-C4' energy: -65.669 flat angles P-C4'-P energy: -39.953 tors. eta vs tors. theta energy: -93.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -977.848401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.848401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.848401 (E_RNA) where: Base-Base interactions energy: -657.465 where: short stacking energy: -281.639 Base-Backbone interact. energy: -0.756 local terms energy: -319.626736 where: bonds (distance) C4'-P energy: -58.646 bonds (distance) P-C4' energy: -62.239 flat angles C4'-P-C4' energy: -65.929 flat angles P-C4'-P energy: -51.829 tors. eta vs tors. theta energy: -80.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -933.284671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.284671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.284671 (E_RNA) where: Base-Base interactions energy: -628.575 where: short stacking energy: -253.319 Base-Backbone interact. energy: -1.683 local terms energy: -303.026970 where: bonds (distance) C4'-P energy: -64.356 bonds (distance) P-C4' energy: -62.069 flat angles C4'-P-C4' energy: -68.234 flat angles P-C4'-P energy: -28.701 tors. eta vs tors. theta energy: -79.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -803.048152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.048152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.048152 (E_RNA) where: Base-Base interactions energy: -517.041 where: short stacking energy: -246.719 Base-Backbone interact. energy: -1.084 local terms energy: -284.922861 where: bonds (distance) C4'-P energy: -54.138 bonds (distance) P-C4' energy: -64.320 flat angles C4'-P-C4' energy: -52.840 flat angles P-C4'-P energy: -47.418 tors. eta vs tors. theta energy: -66.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -710.976777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.976777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.976777 (E_RNA) where: Base-Base interactions energy: -421.633 where: short stacking energy: -207.857 Base-Backbone interact. energy: -2.532 local terms energy: -286.811573 where: bonds (distance) C4'-P energy: -59.769 bonds (distance) P-C4' energy: -60.571 flat angles C4'-P-C4' energy: -60.216 flat angles P-C4'-P energy: -46.403 tors. eta vs tors. theta energy: -59.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -592.889106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.889106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.889106 (E_RNA) where: Base-Base interactions energy: -367.496 where: short stacking energy: -146.596 Base-Backbone interact. energy: 1.856 local terms energy: -227.249291 where: bonds (distance) C4'-P energy: -52.934 bonds (distance) P-C4' energy: -55.336 flat angles C4'-P-C4' energy: -50.983 flat angles P-C4'-P energy: -41.182 tors. eta vs tors. theta energy: -26.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -513.125264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.125264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.125264 (E_RNA) where: Base-Base interactions energy: -289.636 where: short stacking energy: -145.280 Base-Backbone interact. energy: 4.857 local terms energy: -228.345971 where: bonds (distance) C4'-P energy: -51.857 bonds (distance) P-C4' energy: -59.050 flat angles C4'-P-C4' energy: -48.017 flat angles P-C4'-P energy: -42.825 tors. eta vs tors. theta energy: -26.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -319.162696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.162696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.162696 (E_RNA) where: Base-Base interactions energy: -128.915 where: short stacking energy: -96.479 Base-Backbone interact. energy: 1.970 local terms energy: -192.217126 where: bonds (distance) C4'-P energy: -53.991 bonds (distance) P-C4' energy: -55.921 flat angles C4'-P-C4' energy: -53.882 flat angles P-C4'-P energy: -36.620 tors. eta vs tors. theta energy: 8.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1152.884769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.884769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.884769 (E_RNA) where: Base-Base interactions energy: -812.447 where: short stacking energy: -319.240 Base-Backbone interact. energy: -2.261 local terms energy: -338.176512 where: bonds (distance) C4'-P energy: -61.543 bonds (distance) P-C4' energy: -65.666 flat angles C4'-P-C4' energy: -76.638 flat angles P-C4'-P energy: -44.694 tors. eta vs tors. theta energy: -89.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1088.622594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.622594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.622594 (E_RNA) where: Base-Base interactions energy: -763.716 where: short stacking energy: -322.349 Base-Backbone interact. energy: -0.584 local terms energy: -324.322770 where: bonds (distance) C4'-P energy: -56.907 bonds (distance) P-C4' energy: -59.132 flat angles C4'-P-C4' energy: -72.053 flat angles P-C4'-P energy: -43.814 tors. eta vs tors. theta energy: -92.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1065.959189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.959189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.959189 (E_RNA) where: Base-Base interactions energy: -728.729 where: short stacking energy: -321.587 Base-Backbone interact. energy: -1.930 local terms energy: -335.299769 where: bonds (distance) C4'-P energy: -58.885 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -75.451 flat angles P-C4'-P energy: -44.898 tors. eta vs tors. theta energy: -95.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1008.900082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.900082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.900082 (E_RNA) where: Base-Base interactions energy: -676.247 where: short stacking energy: -287.752 Base-Backbone interact. energy: -1.878 local terms energy: -330.775709 where: bonds (distance) C4'-P energy: -59.329 bonds (distance) P-C4' energy: -62.514 flat angles C4'-P-C4' energy: -66.357 flat angles P-C4'-P energy: -50.675 tors. eta vs tors. theta energy: -91.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -919.237494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.237494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.237494 (E_RNA) where: Base-Base interactions energy: -624.781 where: short stacking energy: -262.027 Base-Backbone interact. energy: -1.228 local terms energy: -293.228081 where: bonds (distance) C4'-P energy: -56.956 bonds (distance) P-C4' energy: -67.401 flat angles C4'-P-C4' energy: -67.937 flat angles P-C4'-P energy: -30.661 tors. eta vs tors. theta energy: -70.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -814.975326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.975326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.975326 (E_RNA) where: Base-Base interactions energy: -541.061 where: short stacking energy: -237.932 Base-Backbone interact. energy: -0.808 local terms energy: -273.106847 where: bonds (distance) C4'-P energy: -46.102 bonds (distance) P-C4' energy: -65.290 flat angles C4'-P-C4' energy: -56.000 flat angles P-C4'-P energy: -47.090 tors. eta vs tors. theta energy: -58.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -702.741505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.741505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.741505 (E_RNA) where: Base-Base interactions energy: -465.656 where: short stacking energy: -215.508 Base-Backbone interact. energy: -1.466 local terms energy: -235.619206 where: bonds (distance) C4'-P energy: -47.942 bonds (distance) P-C4' energy: -55.525 flat angles C4'-P-C4' energy: -54.275 flat angles P-C4'-P energy: -31.047 tors. eta vs tors. theta energy: -46.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -570.418420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.418420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.418420 (E_RNA) where: Base-Base interactions energy: -343.077 where: short stacking energy: -157.246 Base-Backbone interact. energy: -1.579 local terms energy: -225.761687 where: bonds (distance) C4'-P energy: -55.906 bonds (distance) P-C4' energy: -47.381 flat angles C4'-P-C4' energy: -39.056 flat angles P-C4'-P energy: -39.554 tors. eta vs tors. theta energy: -43.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -508.593928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.593928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.593928 (E_RNA) where: Base-Base interactions energy: -278.686 where: short stacking energy: -145.987 Base-Backbone interact. energy: -1.073 local terms energy: -228.835075 where: bonds (distance) C4'-P energy: -59.538 bonds (distance) P-C4' energy: -60.626 flat angles C4'-P-C4' energy: -54.895 flat angles P-C4'-P energy: -28.095 tors. eta vs tors. theta energy: -25.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -283.398653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.398653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.398653 (E_RNA) where: Base-Base interactions energy: -101.729 where: short stacking energy: -84.578 Base-Backbone interact. energy: -1.244 local terms energy: -180.426039 where: bonds (distance) C4'-P energy: -49.521 bonds (distance) P-C4' energy: -56.142 flat angles C4'-P-C4' energy: -46.844 flat angles P-C4'-P energy: -29.256 tors. eta vs tors. theta energy: 1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1160.692880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.692880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.692880 (E_RNA) where: Base-Base interactions energy: -815.508 where: short stacking energy: -328.823 Base-Backbone interact. energy: -2.397 local terms energy: -342.787405 where: bonds (distance) C4'-P energy: -64.891 bonds (distance) P-C4' energy: -67.335 flat angles C4'-P-C4' energy: -76.280 flat angles P-C4'-P energy: -44.289 tors. eta vs tors. theta energy: -89.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1086.589570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.589570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.589570 (E_RNA) where: Base-Base interactions energy: -762.491 where: short stacking energy: -327.350 Base-Backbone interact. energy: -2.236 local terms energy: -321.862573 where: bonds (distance) C4'-P energy: -58.336 bonds (distance) P-C4' energy: -60.955 flat angles C4'-P-C4' energy: -66.925 flat angles P-C4'-P energy: -47.136 tors. eta vs tors. theta energy: -88.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1049.396304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.396304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.396304 (E_RNA) where: Base-Base interactions energy: -730.936 where: short stacking energy: -305.872 Base-Backbone interact. energy: -0.708 local terms energy: -317.751982 where: bonds (distance) C4'-P energy: -57.746 bonds (distance) P-C4' energy: -58.805 flat angles C4'-P-C4' energy: -66.348 flat angles P-C4'-P energy: -45.214 tors. eta vs tors. theta energy: -89.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -950.842785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.842785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.842785 (E_RNA) where: Base-Base interactions energy: -640.133 where: short stacking energy: -268.690 Base-Backbone interact. energy: 0.576 local terms energy: -311.286368 where: bonds (distance) C4'-P energy: -57.080 bonds (distance) P-C4' energy: -55.846 flat angles C4'-P-C4' energy: -67.930 flat angles P-C4'-P energy: -42.863 tors. eta vs tors. theta energy: -87.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -978.936652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.936652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.936652 (E_RNA) where: Base-Base interactions energy: -672.952 where: short stacking energy: -285.734 Base-Backbone interact. energy: -0.334 local terms energy: -305.650708 where: bonds (distance) C4'-P energy: -57.671 bonds (distance) P-C4' energy: -57.657 flat angles C4'-P-C4' energy: -63.988 flat angles P-C4'-P energy: -39.513 tors. eta vs tors. theta energy: -86.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -803.786203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.786203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.786203 (E_RNA) where: Base-Base interactions energy: -512.478 where: short stacking energy: -243.397 Base-Backbone interact. energy: -0.682 local terms energy: -290.626204 where: bonds (distance) C4'-P energy: -63.110 bonds (distance) P-C4' energy: -59.998 flat angles C4'-P-C4' energy: -65.811 flat angles P-C4'-P energy: -33.921 tors. eta vs tors. theta energy: -67.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -710.785691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.785691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.785691 (E_RNA) where: Base-Base interactions energy: -447.692 where: short stacking energy: -208.666 Base-Backbone interact. energy: 1.318 local terms energy: -264.411748 where: bonds (distance) C4'-P energy: -64.394 bonds (distance) P-C4' energy: -68.775 flat angles C4'-P-C4' energy: -62.482 flat angles P-C4'-P energy: -27.221 tors. eta vs tors. theta energy: -41.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -617.984257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.984257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.984257 (E_RNA) where: Base-Base interactions energy: -390.744 where: short stacking energy: -170.701 Base-Backbone interact. energy: -1.609 local terms energy: -225.631370 where: bonds (distance) C4'-P energy: -41.825 bonds (distance) P-C4' energy: -64.760 flat angles C4'-P-C4' energy: -53.562 flat angles P-C4'-P energy: -29.914 tors. eta vs tors. theta energy: -35.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -503.393835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.393835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.393835 (E_RNA) where: Base-Base interactions energy: -285.381 where: short stacking energy: -157.839 Base-Backbone interact. energy: -0.289 local terms energy: -217.723755 where: bonds (distance) C4'-P energy: -48.420 bonds (distance) P-C4' energy: -60.089 flat angles C4'-P-C4' energy: -48.995 flat angles P-C4'-P energy: -36.650 tors. eta vs tors. theta energy: -23.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -287.061977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.061977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.061977 (E_RNA) where: Base-Base interactions energy: -126.729 where: short stacking energy: -85.670 Base-Backbone interact. energy: -2.019 local terms energy: -158.313627 where: bonds (distance) C4'-P energy: -40.479 bonds (distance) P-C4' energy: -47.078 flat angles C4'-P-C4' energy: -31.660 flat angles P-C4'-P energy: -33.452 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1154.532643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.532643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.532643 (E_RNA) where: Base-Base interactions energy: -816.553 where: short stacking energy: -320.912 Base-Backbone interact. energy: -0.704 local terms energy: -337.275012 where: bonds (distance) C4'-P energy: -63.321 bonds (distance) P-C4' energy: -63.930 flat angles C4'-P-C4' energy: -74.656 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -90.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1087.325435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.325435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.325435 (E_RNA) where: Base-Base interactions energy: -749.976 where: short stacking energy: -307.890 Base-Backbone interact. energy: 3.600 local terms energy: -340.948837 where: bonds (distance) C4'-P energy: -63.011 bonds (distance) P-C4' energy: -71.461 flat angles C4'-P-C4' energy: -65.875 flat angles P-C4'-P energy: -47.805 tors. eta vs tors. theta energy: -92.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1048.230647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.230647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.230647 (E_RNA) where: Base-Base interactions energy: -718.467 where: short stacking energy: -285.418 Base-Backbone interact. energy: -1.767 local terms energy: -327.996185 where: bonds (distance) C4'-P energy: -69.121 bonds (distance) P-C4' energy: -58.190 flat angles C4'-P-C4' energy: -72.135 flat angles P-C4'-P energy: -45.721 tors. eta vs tors. theta energy: -82.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -961.698875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.698875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.698875 (E_RNA) where: Base-Base interactions energy: -638.930 where: short stacking energy: -265.559 Base-Backbone interact. energy: 1.098 local terms energy: -323.866768 where: bonds (distance) C4'-P energy: -60.865 bonds (distance) P-C4' energy: -66.709 flat angles C4'-P-C4' energy: -63.421 flat angles P-C4'-P energy: -44.424 tors. eta vs tors. theta energy: -88.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -934.579714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.579714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.579714 (E_RNA) where: Base-Base interactions energy: -638.860 where: short stacking energy: -288.969 Base-Backbone interact. energy: 0.062 local terms energy: -295.781549 where: bonds (distance) C4'-P energy: -49.633 bonds (distance) P-C4' energy: -64.518 flat angles C4'-P-C4' energy: -61.921 flat angles P-C4'-P energy: -40.675 tors. eta vs tors. theta energy: -79.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -798.195069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.195069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.195069 (E_RNA) where: Base-Base interactions energy: -514.836 where: short stacking energy: -240.439 Base-Backbone interact. energy: -2.183 local terms energy: -281.175569 where: bonds (distance) C4'-P energy: -57.488 bonds (distance) P-C4' energy: -67.193 flat angles C4'-P-C4' energy: -65.964 flat angles P-C4'-P energy: -35.715 tors. eta vs tors. theta energy: -54.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -729.991952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.991952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.991952 (E_RNA) where: Base-Base interactions energy: -473.822 where: short stacking energy: -207.323 Base-Backbone interact. energy: -1.985 local terms energy: -254.185590 where: bonds (distance) C4'-P energy: -51.416 bonds (distance) P-C4' energy: -59.244 flat angles C4'-P-C4' energy: -63.717 flat angles P-C4'-P energy: -31.692 tors. eta vs tors. theta energy: -48.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -564.874686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.874686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.874686 (E_RNA) where: Base-Base interactions energy: -337.527 where: short stacking energy: -152.318 Base-Backbone interact. energy: -0.957 local terms energy: -226.390225 where: bonds (distance) C4'-P energy: -61.171 bonds (distance) P-C4' energy: -45.362 flat angles C4'-P-C4' energy: -60.241 flat angles P-C4'-P energy: -25.343 tors. eta vs tors. theta energy: -34.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -509.737641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.737641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.737641 (E_RNA) where: Base-Base interactions energy: -288.063 where: short stacking energy: -160.799 Base-Backbone interact. energy: 2.427 local terms energy: -224.101141 where: bonds (distance) C4'-P energy: -41.779 bonds (distance) P-C4' energy: -61.200 flat angles C4'-P-C4' energy: -67.902 flat angles P-C4'-P energy: -24.502 tors. eta vs tors. theta energy: -28.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -250.923129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.923129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.923129 (E_RNA) where: Base-Base interactions energy: -95.153 where: short stacking energy: -88.103 Base-Backbone interact. energy: 9.600 local terms energy: -165.369944 where: bonds (distance) C4'-P energy: -49.701 bonds (distance) P-C4' energy: -52.135 flat angles C4'-P-C4' energy: -51.002 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -6.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1120.757208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.757208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.757208 (E_RNA) where: Base-Base interactions energy: -803.145 where: short stacking energy: -293.890 Base-Backbone interact. energy: 0.546 local terms energy: -318.158269 where: bonds (distance) C4'-P energy: -64.249 bonds (distance) P-C4' energy: -65.010 flat angles C4'-P-C4' energy: -72.727 flat angles P-C4'-P energy: -29.283 tors. eta vs tors. theta energy: -86.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1090.228533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.228533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.228533 (E_RNA) where: Base-Base interactions energy: -763.205 where: short stacking energy: -310.637 Base-Backbone interact. energy: -1.322 local terms energy: -325.702348 where: bonds (distance) C4'-P energy: -64.896 bonds (distance) P-C4' energy: -62.902 flat angles C4'-P-C4' energy: -65.205 flat angles P-C4'-P energy: -44.654 tors. eta vs tors. theta energy: -88.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1061.937589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.937589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.937589 (E_RNA) where: Base-Base interactions energy: -737.951 where: short stacking energy: -303.030 Base-Backbone interact. energy: -0.267 local terms energy: -323.720469 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -68.119 flat angles C4'-P-C4' energy: -68.647 flat angles P-C4'-P energy: -43.011 tors. eta vs tors. theta energy: -83.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -975.448336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.448336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.448336 (E_RNA) where: Base-Base interactions energy: -636.351 where: short stacking energy: -293.395 Base-Backbone interact. energy: -0.795 local terms energy: -338.303201 where: bonds (distance) C4'-P energy: -60.934 bonds (distance) P-C4' energy: -68.166 flat angles C4'-P-C4' energy: -73.693 flat angles P-C4'-P energy: -45.045 tors. eta vs tors. theta energy: -90.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -914.128735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.128735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.128735 (E_RNA) where: Base-Base interactions energy: -605.973 where: short stacking energy: -250.145 Base-Backbone interact. energy: -0.201 local terms energy: -307.954886 where: bonds (distance) C4'-P energy: -62.091 bonds (distance) P-C4' energy: -55.149 flat angles C4'-P-C4' energy: -72.122 flat angles P-C4'-P energy: -38.585 tors. eta vs tors. theta energy: -80.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -790.123952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.123952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.123952 (E_RNA) where: Base-Base interactions energy: -517.643 where: short stacking energy: -256.958 Base-Backbone interact. energy: -1.000 local terms energy: -271.480908 where: bonds (distance) C4'-P energy: -53.419 bonds (distance) P-C4' energy: -54.310 flat angles C4'-P-C4' energy: -61.733 flat angles P-C4'-P energy: -37.562 tors. eta vs tors. theta energy: -64.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -736.606794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.606794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.606794 (E_RNA) where: Base-Base interactions energy: -476.994 where: short stacking energy: -201.972 Base-Backbone interact. energy: -1.883 local terms energy: -257.730095 where: bonds (distance) C4'-P energy: -44.792 bonds (distance) P-C4' energy: -58.172 flat angles C4'-P-C4' energy: -56.061 flat angles P-C4'-P energy: -45.045 tors. eta vs tors. theta energy: -53.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -577.951660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.951660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.951660 (E_RNA) where: Base-Base interactions energy: -362.141 where: short stacking energy: -149.303 Base-Backbone interact. energy: -0.063 local terms energy: -215.747060 where: bonds (distance) C4'-P energy: -53.108 bonds (distance) P-C4' energy: -58.147 flat angles C4'-P-C4' energy: -42.919 flat angles P-C4'-P energy: -39.308 tors. eta vs tors. theta energy: -22.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -513.554591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.554591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.554591 (E_RNA) where: Base-Base interactions energy: -288.155 where: short stacking energy: -164.283 Base-Backbone interact. energy: -1.320 local terms energy: -224.080118 where: bonds (distance) C4'-P energy: -45.924 bonds (distance) P-C4' energy: -55.107 flat angles C4'-P-C4' energy: -53.536 flat angles P-C4'-P energy: -39.377 tors. eta vs tors. theta energy: -30.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -316.434361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.434361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.434361 (E_RNA) where: Base-Base interactions energy: -150.449 where: short stacking energy: -108.525 Base-Backbone interact. energy: -1.513 local terms energy: -164.472636 where: bonds (distance) C4'-P energy: -52.122 bonds (distance) P-C4' energy: -50.792 flat angles C4'-P-C4' energy: -32.716 flat angles P-C4'-P energy: -25.710 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1137.639259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.639259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.639259 (E_RNA) where: Base-Base interactions energy: -795.781 where: short stacking energy: -302.595 Base-Backbone interact. energy: 0.290 local terms energy: -342.148954 where: bonds (distance) C4'-P energy: -60.018 bonds (distance) P-C4' energy: -65.383 flat angles C4'-P-C4' energy: -72.616 flat angles P-C4'-P energy: -51.076 tors. eta vs tors. theta energy: -93.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1087.108535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.108535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.108535 (E_RNA) where: Base-Base interactions energy: -756.924 where: short stacking energy: -326.601 Base-Backbone interact. energy: -0.348 local terms energy: -329.836212 where: bonds (distance) C4'-P energy: -61.344 bonds (distance) P-C4' energy: -61.395 flat angles C4'-P-C4' energy: -72.236 flat angles P-C4'-P energy: -39.657 tors. eta vs tors. theta energy: -95.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1065.157339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.157339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.157339 (E_RNA) where: Base-Base interactions energy: -756.325 where: short stacking energy: -296.125 Base-Backbone interact. energy: -1.757 local terms energy: -307.075500 where: bonds (distance) C4'-P energy: -60.710 bonds (distance) P-C4' energy: -66.035 flat angles C4'-P-C4' energy: -66.238 flat angles P-C4'-P energy: -39.813 tors. eta vs tors. theta energy: -74.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -976.381924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.381924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.381924 (E_RNA) where: Base-Base interactions energy: -646.036 where: short stacking energy: -290.872 Base-Backbone interact. energy: -0.225 local terms energy: -330.121505 where: bonds (distance) C4'-P energy: -64.737 bonds (distance) P-C4' energy: -68.114 flat angles C4'-P-C4' energy: -64.975 flat angles P-C4'-P energy: -44.233 tors. eta vs tors. theta energy: -88.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -925.447483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.447483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.447483 (E_RNA) where: Base-Base interactions energy: -622.902 where: short stacking energy: -266.556 Base-Backbone interact. energy: -1.571 local terms energy: -300.974357 where: bonds (distance) C4'-P energy: -54.655 bonds (distance) P-C4' energy: -65.709 flat angles C4'-P-C4' energy: -69.657 flat angles P-C4'-P energy: -38.749 tors. eta vs tors. theta energy: -72.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -804.014369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.014369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.014369 (E_RNA) where: Base-Base interactions energy: -535.307 where: short stacking energy: -250.067 Base-Backbone interact. energy: -3.525 local terms energy: -265.181699 where: bonds (distance) C4'-P energy: -44.222 bonds (distance) P-C4' energy: -69.411 flat angles C4'-P-C4' energy: -53.393 flat angles P-C4'-P energy: -29.805 tors. eta vs tors. theta energy: -68.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -773.700510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.700510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.700510 (E_RNA) where: Base-Base interactions energy: -513.222 where: short stacking energy: -230.480 Base-Backbone interact. energy: -0.502 local terms energy: -259.976224 where: bonds (distance) C4'-P energy: -44.926 bonds (distance) P-C4' energy: -52.183 flat angles C4'-P-C4' energy: -67.235 flat angles P-C4'-P energy: -36.479 tors. eta vs tors. theta energy: -59.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -546.132285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.132285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.132285 (E_RNA) where: Base-Base interactions energy: -340.358 where: short stacking energy: -162.049 Base-Backbone interact. energy: -0.302 local terms energy: -205.472720 where: bonds (distance) C4'-P energy: -53.166 bonds (distance) P-C4' energy: -57.479 flat angles C4'-P-C4' energy: -51.839 flat angles P-C4'-P energy: -24.390 tors. eta vs tors. theta energy: -18.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -504.694656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.694656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.694656 (E_RNA) where: Base-Base interactions energy: -288.488 where: short stacking energy: -156.908 Base-Backbone interact. energy: -0.776 local terms energy: -215.430580 where: bonds (distance) C4'-P energy: -57.121 bonds (distance) P-C4' energy: -53.013 flat angles C4'-P-C4' energy: -42.542 flat angles P-C4'-P energy: -30.920 tors. eta vs tors. theta energy: -31.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -312.698624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.698624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.698624 (E_RNA) where: Base-Base interactions energy: -130.432 where: short stacking energy: -81.162 Base-Backbone interact. energy: 0.157 local terms energy: -182.422949 where: bonds (distance) C4'-P energy: -50.668 bonds (distance) P-C4' energy: -66.480 flat angles C4'-P-C4' energy: -44.141 flat angles P-C4'-P energy: -26.358 tors. eta vs tors. theta energy: 5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1134.588241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.588241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.588241 (E_RNA) where: Base-Base interactions energy: -788.647 where: short stacking energy: -318.447 Base-Backbone interact. energy: -2.652 local terms energy: -343.289681 where: bonds (distance) C4'-P energy: -66.826 bonds (distance) P-C4' energy: -71.233 flat angles C4'-P-C4' energy: -73.447 flat angles P-C4'-P energy: -41.397 tors. eta vs tors. theta energy: -90.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1072.676121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.676121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.676121 (E_RNA) where: Base-Base interactions energy: -755.594 where: short stacking energy: -305.064 Base-Backbone interact. energy: 0.055 local terms energy: -317.137238 where: bonds (distance) C4'-P energy: -55.415 bonds (distance) P-C4' energy: -60.520 flat angles C4'-P-C4' energy: -77.886 flat angles P-C4'-P energy: -45.588 tors. eta vs tors. theta energy: -77.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1081.279832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.279832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.279832 (E_RNA) where: Base-Base interactions energy: -745.152 where: short stacking energy: -314.863 Base-Backbone interact. energy: -1.781 local terms energy: -334.346699 where: bonds (distance) C4'-P energy: -64.258 bonds (distance) P-C4' energy: -66.915 flat angles C4'-P-C4' energy: -74.890 flat angles P-C4'-P energy: -37.671 tors. eta vs tors. theta energy: -90.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -986.334950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.334950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.334950 (E_RNA) where: Base-Base interactions energy: -648.875 where: short stacking energy: -286.704 Base-Backbone interact. energy: -2.648 local terms energy: -334.812666 where: bonds (distance) C4'-P energy: -67.462 bonds (distance) P-C4' energy: -59.639 flat angles C4'-P-C4' energy: -67.920 flat angles P-C4'-P energy: -50.675 tors. eta vs tors. theta energy: -89.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -899.228157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.228157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.228157 (E_RNA) where: Base-Base interactions energy: -605.310 where: short stacking energy: -253.573 Base-Backbone interact. energy: -2.141 local terms energy: -291.777748 where: bonds (distance) C4'-P energy: -45.259 bonds (distance) P-C4' energy: -68.881 flat angles C4'-P-C4' energy: -68.570 flat angles P-C4'-P energy: -34.077 tors. eta vs tors. theta energy: -74.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -821.156951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.156951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.156951 (E_RNA) where: Base-Base interactions energy: -525.422 where: short stacking energy: -258.002 Base-Backbone interact. energy: -0.460 local terms energy: -295.274239 where: bonds (distance) C4'-P energy: -67.355 bonds (distance) P-C4' energy: -46.629 flat angles C4'-P-C4' energy: -67.853 flat angles P-C4'-P energy: -41.444 tors. eta vs tors. theta energy: -71.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -745.517215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.517215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.517215 (E_RNA) where: Base-Base interactions energy: -491.731 where: short stacking energy: -220.900 Base-Backbone interact. energy: -0.142 local terms energy: -253.643719 where: bonds (distance) C4'-P energy: -57.355 bonds (distance) P-C4' energy: -51.966 flat angles C4'-P-C4' energy: -56.605 flat angles P-C4'-P energy: -39.167 tors. eta vs tors. theta energy: -48.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -546.316915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.316915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.316915 (E_RNA) where: Base-Base interactions energy: -319.118 where: short stacking energy: -153.025 Base-Backbone interact. energy: -1.884 local terms energy: -225.314697 where: bonds (distance) C4'-P energy: -40.271 bonds (distance) P-C4' energy: -63.276 flat angles C4'-P-C4' energy: -49.695 flat angles P-C4'-P energy: -35.704 tors. eta vs tors. theta energy: -36.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -498.353593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.353593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.353593 (E_RNA) where: Base-Base interactions energy: -290.894 where: short stacking energy: -152.820 Base-Backbone interact. energy: -0.777 local terms energy: -206.682672 where: bonds (distance) C4'-P energy: -48.889 bonds (distance) P-C4' energy: -48.734 flat angles C4'-P-C4' energy: -53.281 flat angles P-C4'-P energy: -30.577 tors. eta vs tors. theta energy: -25.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -318.481873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.481873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.481873 (E_RNA) where: Base-Base interactions energy: -141.705 where: short stacking energy: -102.240 Base-Backbone interact. energy: -0.496 local terms energy: -176.280795 where: bonds (distance) C4'-P energy: -51.673 bonds (distance) P-C4' energy: -65.392 flat angles C4'-P-C4' energy: -42.163 flat angles P-C4'-P energy: -23.266 tors. eta vs tors. theta energy: 6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1136.445879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.445879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.445879 (E_RNA) where: Base-Base interactions energy: -814.846 where: short stacking energy: -304.827 Base-Backbone interact. energy: -0.943 local terms energy: -320.657127 where: bonds (distance) C4'-P energy: -56.333 bonds (distance) P-C4' energy: -55.502 flat angles C4'-P-C4' energy: -75.566 flat angles P-C4'-P energy: -44.347 tors. eta vs tors. theta energy: -88.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1085.519474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.519474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.519474 (E_RNA) where: Base-Base interactions energy: -765.642 where: short stacking energy: -306.543 Base-Backbone interact. energy: 2.991 local terms energy: -322.868302 where: bonds (distance) C4'-P energy: -56.212 bonds (distance) P-C4' energy: -55.054 flat angles C4'-P-C4' energy: -70.058 flat angles P-C4'-P energy: -52.992 tors. eta vs tors. theta energy: -88.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1080.322186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.322186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.322186 (E_RNA) where: Base-Base interactions energy: -751.238 where: short stacking energy: -311.258 Base-Backbone interact. energy: -2.524 local terms energy: -326.560632 where: bonds (distance) C4'-P energy: -66.337 bonds (distance) P-C4' energy: -62.576 flat angles C4'-P-C4' energy: -68.075 flat angles P-C4'-P energy: -42.618 tors. eta vs tors. theta energy: -86.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -946.910390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.910390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.910390 (E_RNA) where: Base-Base interactions energy: -630.229 where: short stacking energy: -275.173 Base-Backbone interact. energy: -1.576 local terms energy: -315.105383 where: bonds (distance) C4'-P energy: -57.605 bonds (distance) P-C4' energy: -65.792 flat angles C4'-P-C4' energy: -67.099 flat angles P-C4'-P energy: -49.602 tors. eta vs tors. theta energy: -75.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -908.890941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.890941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.890941 (E_RNA) where: Base-Base interactions energy: -610.779 where: short stacking energy: -254.570 Base-Backbone interact. energy: -1.938 local terms energy: -296.174046 where: bonds (distance) C4'-P energy: -52.876 bonds (distance) P-C4' energy: -58.139 flat angles C4'-P-C4' energy: -65.959 flat angles P-C4'-P energy: -38.690 tors. eta vs tors. theta energy: -80.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -832.227338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.227338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.227338 (E_RNA) where: Base-Base interactions energy: -521.326 where: short stacking energy: -255.435 Base-Backbone interact. energy: -3.650 local terms energy: -307.251209 where: bonds (distance) C4'-P energy: -64.425 bonds (distance) P-C4' energy: -61.277 flat angles C4'-P-C4' energy: -68.968 flat angles P-C4'-P energy: -38.410 tors. eta vs tors. theta energy: -74.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -723.649742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.649742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.649742 (E_RNA) where: Base-Base interactions energy: -464.766 where: short stacking energy: -229.109 Base-Backbone interact. energy: -1.428 local terms energy: -257.455244 where: bonds (distance) C4'-P energy: -51.220 bonds (distance) P-C4' energy: -37.533 flat angles C4'-P-C4' energy: -62.416 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -64.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -500.422700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.422700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.422700 (E_RNA) where: Base-Base interactions energy: -293.843 where: short stacking energy: -135.614 Base-Backbone interact. energy: -1.429 local terms energy: -205.149866 where: bonds (distance) C4'-P energy: -42.240 bonds (distance) P-C4' energy: -68.596 flat angles C4'-P-C4' energy: -48.865 flat angles P-C4'-P energy: -26.706 tors. eta vs tors. theta energy: -18.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -546.624808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.624808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.624808 (E_RNA) where: Base-Base interactions energy: -310.251 where: short stacking energy: -149.129 Base-Backbone interact. energy: 1.193 local terms energy: -237.567362 where: bonds (distance) C4'-P energy: -53.642 bonds (distance) P-C4' energy: -48.285 flat angles C4'-P-C4' energy: -58.478 flat angles P-C4'-P energy: -43.359 tors. eta vs tors. theta energy: -33.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -297.384036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.384036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.384036 (E_RNA) where: Base-Base interactions energy: -121.786 where: short stacking energy: -86.998 Base-Backbone interact. energy: 0.605 local terms energy: -176.203426 where: bonds (distance) C4'-P energy: -48.544 bonds (distance) P-C4' energy: -60.841 flat angles C4'-P-C4' energy: -55.606 flat angles P-C4'-P energy: -19.986 tors. eta vs tors. theta energy: 8.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1143.371661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.371661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.371661 (E_RNA) where: Base-Base interactions energy: -795.374 where: short stacking energy: -316.160 Base-Backbone interact. energy: -0.778 local terms energy: -347.219177 where: bonds (distance) C4'-P energy: -65.802 bonds (distance) P-C4' energy: -65.033 flat angles C4'-P-C4' energy: -71.424 flat angles P-C4'-P energy: -49.205 tors. eta vs tors. theta energy: -95.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1091.050688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.050688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.050688 (E_RNA) where: Base-Base interactions energy: -752.291 where: short stacking energy: -303.504 Base-Backbone interact. energy: -3.468 local terms energy: -335.291697 where: bonds (distance) C4'-P energy: -55.614 bonds (distance) P-C4' energy: -61.876 flat angles C4'-P-C4' energy: -72.721 flat angles P-C4'-P energy: -50.792 tors. eta vs tors. theta energy: -94.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1088.012105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.012105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.012105 (E_RNA) where: Base-Base interactions energy: -771.850 where: short stacking energy: -306.301 Base-Backbone interact. energy: -0.154 local terms energy: -316.008020 where: bonds (distance) C4'-P energy: -52.155 bonds (distance) P-C4' energy: -57.535 flat angles C4'-P-C4' energy: -71.202 flat angles P-C4'-P energy: -49.347 tors. eta vs tors. theta energy: -85.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -949.512224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.512224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.512224 (E_RNA) where: Base-Base interactions energy: -633.139 where: short stacking energy: -299.366 Base-Backbone interact. energy: -1.125 local terms energy: -315.247949 where: bonds (distance) C4'-P energy: -57.666 bonds (distance) P-C4' energy: -58.862 flat angles C4'-P-C4' energy: -65.299 flat angles P-C4'-P energy: -44.169 tors. eta vs tors. theta energy: -89.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -916.275034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.275034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.275034 (E_RNA) where: Base-Base interactions energy: -611.847 where: short stacking energy: -255.450 Base-Backbone interact. energy: -2.011 local terms energy: -302.417475 where: bonds (distance) C4'-P energy: -62.470 bonds (distance) P-C4' energy: -56.159 flat angles C4'-P-C4' energy: -72.769 flat angles P-C4'-P energy: -31.267 tors. eta vs tors. theta energy: -79.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -809.730931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.730931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.730931 (E_RNA) where: Base-Base interactions energy: -545.116 where: short stacking energy: -263.466 Base-Backbone interact. energy: 0.376 local terms energy: -264.990984 where: bonds (distance) C4'-P energy: -52.122 bonds (distance) P-C4' energy: -58.176 flat angles C4'-P-C4' energy: -54.113 flat angles P-C4'-P energy: -37.001 tors. eta vs tors. theta energy: -63.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -706.331125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.331125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.331125 (E_RNA) where: Base-Base interactions energy: -441.217 where: short stacking energy: -214.166 Base-Backbone interact. energy: 0.018 local terms energy: -265.132273 where: bonds (distance) C4'-P energy: -51.937 bonds (distance) P-C4' energy: -64.470 flat angles C4'-P-C4' energy: -63.323 flat angles P-C4'-P energy: -34.885 tors. eta vs tors. theta energy: -50.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -570.785386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.785386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.785386 (E_RNA) where: Base-Base interactions energy: -348.684 where: short stacking energy: -162.352 Base-Backbone interact. energy: 2.810 local terms energy: -224.910604 where: bonds (distance) C4'-P energy: -49.559 bonds (distance) P-C4' energy: -60.540 flat angles C4'-P-C4' energy: -55.543 flat angles P-C4'-P energy: -32.465 tors. eta vs tors. theta energy: -26.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -523.976052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.976052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.976052 (E_RNA) where: Base-Base interactions energy: -321.134 where: short stacking energy: -148.344 Base-Backbone interact. energy: -1.559 local terms energy: -201.282774 where: bonds (distance) C4'-P energy: -44.604 bonds (distance) P-C4' energy: -50.494 flat angles C4'-P-C4' energy: -51.346 flat angles P-C4'-P energy: -30.673 tors. eta vs tors. theta energy: -24.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -268.564117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.564117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.564117 (E_RNA) where: Base-Base interactions energy: -95.257 where: short stacking energy: -78.826 Base-Backbone interact. energy: 2.531 local terms energy: -175.838316 where: bonds (distance) C4'-P energy: -62.783 bonds (distance) P-C4' energy: -49.132 flat angles C4'-P-C4' energy: -32.933 flat angles P-C4'-P energy: -30.948 tors. eta vs tors. theta energy: -0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1128.979629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.979629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.979629 (E_RNA) where: Base-Base interactions energy: -791.250 where: short stacking energy: -321.665 Base-Backbone interact. energy: -0.944 local terms energy: -336.785865 where: bonds (distance) C4'-P energy: -56.715 bonds (distance) P-C4' energy: -62.396 flat angles C4'-P-C4' energy: -78.870 flat angles P-C4'-P energy: -44.899 tors. eta vs tors. theta energy: -93.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1117.662043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.662043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.662043 (E_RNA) where: Base-Base interactions energy: -781.190 where: short stacking energy: -320.106 Base-Backbone interact. energy: -2.112 local terms energy: -334.360689 where: bonds (distance) C4'-P energy: -62.144 bonds (distance) P-C4' energy: -62.866 flat angles C4'-P-C4' energy: -70.128 flat angles P-C4'-P energy: -43.391 tors. eta vs tors. theta energy: -95.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1081.154531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.154531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.154531 (E_RNA) where: Base-Base interactions energy: -771.238 where: short stacking energy: -317.200 Base-Backbone interact. energy: -1.830 local terms energy: -308.086591 where: bonds (distance) C4'-P energy: -57.135 bonds (distance) P-C4' energy: -46.924 flat angles C4'-P-C4' energy: -72.062 flat angles P-C4'-P energy: -40.913 tors. eta vs tors. theta energy: -91.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -949.283623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.283623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.283623 (E_RNA) where: Base-Base interactions energy: -637.992 where: short stacking energy: -269.504 Base-Backbone interact. energy: -1.161 local terms energy: -310.130379 where: bonds (distance) C4'-P energy: -60.796 bonds (distance) P-C4' energy: -66.614 flat angles C4'-P-C4' energy: -56.382 flat angles P-C4'-P energy: -38.785 tors. eta vs tors. theta energy: -87.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -916.295949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.295949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.295949 (E_RNA) where: Base-Base interactions energy: -618.696 where: short stacking energy: -261.779 Base-Backbone interact. energy: 0.083 local terms energy: -297.683614 where: bonds (distance) C4'-P energy: -55.569 bonds (distance) P-C4' energy: -68.169 flat angles C4'-P-C4' energy: -61.182 flat angles P-C4'-P energy: -40.793 tors. eta vs tors. theta energy: -71.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -808.745086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.745086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.745086 (E_RNA) where: Base-Base interactions energy: -521.568 where: short stacking energy: -245.737 Base-Backbone interact. energy: -2.275 local terms energy: -284.902023 where: bonds (distance) C4'-P energy: -56.491 bonds (distance) P-C4' energy: -64.994 flat angles C4'-P-C4' energy: -58.768 flat angles P-C4'-P energy: -38.338 tors. eta vs tors. theta energy: -66.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -677.220543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.220543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.220543 (E_RNA) where: Base-Base interactions energy: -430.403 where: short stacking energy: -212.309 Base-Backbone interact. energy: 2.979 local terms energy: -249.796683 where: bonds (distance) C4'-P energy: -55.592 bonds (distance) P-C4' energy: -55.387 flat angles C4'-P-C4' energy: -55.992 flat angles P-C4'-P energy: -27.608 tors. eta vs tors. theta energy: -55.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -634.278288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.278288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.278288 (E_RNA) where: Base-Base interactions energy: -384.403 where: short stacking energy: -210.031 Base-Backbone interact. energy: -0.979 local terms energy: -248.896640 where: bonds (distance) C4'-P energy: -61.522 bonds (distance) P-C4' energy: -58.735 flat angles C4'-P-C4' energy: -50.701 flat angles P-C4'-P energy: -34.735 tors. eta vs tors. theta energy: -43.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -451.169454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.169454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.169454 (E_RNA) where: Base-Base interactions energy: -268.678 where: short stacking energy: -136.900 Base-Backbone interact. energy: -0.162 local terms energy: -182.328654 where: bonds (distance) C4'-P energy: -43.806 bonds (distance) P-C4' energy: -47.007 flat angles C4'-P-C4' energy: -46.498 flat angles P-C4'-P energy: -35.769 tors. eta vs tors. theta energy: -9.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -264.009151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.009151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.009151 (E_RNA) where: Base-Base interactions energy: -94.388 where: short stacking energy: -74.755 Base-Backbone interact. energy: -1.221 local terms energy: -168.399864 where: bonds (distance) C4'-P energy: -58.939 bonds (distance) P-C4' energy: -60.791 flat angles C4'-P-C4' energy: -38.717 flat angles P-C4'-P energy: -21.495 tors. eta vs tors. theta energy: 11.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1116.840427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.840427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.840427 (E_RNA) where: Base-Base interactions energy: -785.900 where: short stacking energy: -310.004 Base-Backbone interact. energy: 1.889 local terms energy: -332.829108 where: bonds (distance) C4'-P energy: -57.563 bonds (distance) P-C4' energy: -61.658 flat angles C4'-P-C4' energy: -71.861 flat angles P-C4'-P energy: -51.079 tors. eta vs tors. theta energy: -90.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1103.818476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.818476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.818476 (E_RNA) where: Base-Base interactions energy: -764.125 where: short stacking energy: -320.433 Base-Backbone interact. energy: -1.980 local terms energy: -337.713272 where: bonds (distance) C4'-P energy: -68.186 bonds (distance) P-C4' energy: -57.210 flat angles C4'-P-C4' energy: -68.078 flat angles P-C4'-P energy: -54.998 tors. eta vs tors. theta energy: -89.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1072.554046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.554046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.554046 (E_RNA) where: Base-Base interactions energy: -752.946 where: short stacking energy: -309.775 Base-Backbone interact. energy: 0.373 local terms energy: -319.981137 where: bonds (distance) C4'-P energy: -57.148 bonds (distance) P-C4' energy: -59.745 flat angles C4'-P-C4' energy: -69.117 flat angles P-C4'-P energy: -49.194 tors. eta vs tors. theta energy: -84.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -938.434577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.434577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.434577 (E_RNA) where: Base-Base interactions energy: -631.436 where: short stacking energy: -255.424 Base-Backbone interact. energy: -2.076 local terms energy: -304.923198 where: bonds (distance) C4'-P energy: -63.254 bonds (distance) P-C4' energy: -56.078 flat angles C4'-P-C4' energy: -73.811 flat angles P-C4'-P energy: -41.171 tors. eta vs tors. theta energy: -70.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -909.935929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.935929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.935929 (E_RNA) where: Base-Base interactions energy: -606.856 where: short stacking energy: -260.039 Base-Backbone interact. energy: -2.248 local terms energy: -300.832231 where: bonds (distance) C4'-P energy: -52.374 bonds (distance) P-C4' energy: -63.967 flat angles C4'-P-C4' energy: -68.455 flat angles P-C4'-P energy: -39.518 tors. eta vs tors. theta energy: -76.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -827.034087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.034087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.034087 (E_RNA) where: Base-Base interactions energy: -537.433 where: short stacking energy: -254.787 Base-Backbone interact. energy: -0.905 local terms energy: -288.695490 where: bonds (distance) C4'-P energy: -58.140 bonds (distance) P-C4' energy: -62.128 flat angles C4'-P-C4' energy: -65.755 flat angles P-C4'-P energy: -31.319 tors. eta vs tors. theta energy: -71.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -661.562075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.562075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.562075 (E_RNA) where: Base-Base interactions energy: -405.629 where: short stacking energy: -179.108 Base-Backbone interact. energy: 0.981 local terms energy: -256.914474 where: bonds (distance) C4'-P energy: -58.732 bonds (distance) P-C4' energy: -63.988 flat angles C4'-P-C4' energy: -61.802 flat angles P-C4'-P energy: -37.144 tors. eta vs tors. theta energy: -35.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -562.179294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.179294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.179294 (E_RNA) where: Base-Base interactions energy: -330.149 where: short stacking energy: -184.401 Base-Backbone interact. energy: 0.269 local terms energy: -232.299336 where: bonds (distance) C4'-P energy: -49.027 bonds (distance) P-C4' energy: -64.134 flat angles C4'-P-C4' energy: -55.170 flat angles P-C4'-P energy: -32.442 tors. eta vs tors. theta energy: -31.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -464.277395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.277395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.277395 (E_RNA) where: Base-Base interactions energy: -278.611 where: short stacking energy: -132.514 Base-Backbone interact. energy: 3.193 local terms energy: -188.858656 where: bonds (distance) C4'-P energy: -57.878 bonds (distance) P-C4' energy: -48.554 flat angles C4'-P-C4' energy: -45.825 flat angles P-C4'-P energy: -27.596 tors. eta vs tors. theta energy: -9.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -267.990211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.990211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.990211 (E_RNA) where: Base-Base interactions energy: -98.989 where: short stacking energy: -74.782 Base-Backbone interact. energy: 0.127 local terms energy: -169.128656 where: bonds (distance) C4'-P energy: -38.231 bonds (distance) P-C4' energy: -52.915 flat angles C4'-P-C4' energy: -50.644 flat angles P-C4'-P energy: -25.966 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1155.127662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.127662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.127662 (E_RNA) where: Base-Base interactions energy: -793.936 where: short stacking energy: -315.177 Base-Backbone interact. energy: -2.707 local terms energy: -358.484675 where: bonds (distance) C4'-P energy: -63.966 bonds (distance) P-C4' energy: -71.310 flat angles C4'-P-C4' energy: -74.723 flat angles P-C4'-P energy: -55.516 tors. eta vs tors. theta energy: -92.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1105.665454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.665454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.665454 (E_RNA) where: Base-Base interactions energy: -764.330 where: short stacking energy: -310.569 Base-Backbone interact. energy: -2.920 local terms energy: -338.415451 where: bonds (distance) C4'-P energy: -64.093 bonds (distance) P-C4' energy: -66.173 flat angles C4'-P-C4' energy: -69.956 flat angles P-C4'-P energy: -48.899 tors. eta vs tors. theta energy: -89.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1080.816534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.816534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.816534 (E_RNA) where: Base-Base interactions energy: -741.032 where: short stacking energy: -312.033 Base-Backbone interact. energy: 0.190 local terms energy: -339.974922 where: bonds (distance) C4'-P energy: -67.770 bonds (distance) P-C4' energy: -63.439 flat angles C4'-P-C4' energy: -69.363 flat angles P-C4'-P energy: -48.440 tors. eta vs tors. theta energy: -90.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -980.857160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.857160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.857160 (E_RNA) where: Base-Base interactions energy: -649.805 where: short stacking energy: -263.524 Base-Backbone interact. energy: -0.812 local terms energy: -330.240327 where: bonds (distance) C4'-P energy: -60.107 bonds (distance) P-C4' energy: -67.257 flat angles C4'-P-C4' energy: -70.742 flat angles P-C4'-P energy: -51.614 tors. eta vs tors. theta energy: -80.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -898.030878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.030878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.030878 (E_RNA) where: Base-Base interactions energy: -608.315 where: short stacking energy: -241.651 Base-Backbone interact. energy: -1.755 local terms energy: -287.961456 where: bonds (distance) C4'-P energy: -56.074 bonds (distance) P-C4' energy: -56.482 flat angles C4'-P-C4' energy: -65.066 flat angles P-C4'-P energy: -37.777 tors. eta vs tors. theta energy: -72.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -826.774177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.774177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.774177 (E_RNA) where: Base-Base interactions energy: -542.185 where: short stacking energy: -277.798 Base-Backbone interact. energy: -1.088 local terms energy: -283.501148 where: bonds (distance) C4'-P energy: -51.653 bonds (distance) P-C4' energy: -53.075 flat angles C4'-P-C4' energy: -56.282 flat angles P-C4'-P energy: -42.278 tors. eta vs tors. theta energy: -80.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -641.660717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.660717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.660717 (E_RNA) where: Base-Base interactions energy: -399.362 where: short stacking energy: -203.921 Base-Backbone interact. energy: -1.405 local terms energy: -240.893700 where: bonds (distance) C4'-P energy: -57.176 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -54.492 flat angles P-C4'-P energy: -25.514 tors. eta vs tors. theta energy: -42.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -549.133551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.133551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.133551 (E_RNA) where: Base-Base interactions energy: -316.706 where: short stacking energy: -181.198 Base-Backbone interact. energy: 4.557 local terms energy: -236.984321 where: bonds (distance) C4'-P energy: -61.139 bonds (distance) P-C4' energy: -46.271 flat angles C4'-P-C4' energy: -44.257 flat angles P-C4'-P energy: -49.315 tors. eta vs tors. theta energy: -36.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -469.772376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.772376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.772376 (E_RNA) where: Base-Base interactions energy: -271.412 where: short stacking energy: -122.515 Base-Backbone interact. energy: 3.001 local terms energy: -201.361425 where: bonds (distance) C4'-P energy: -56.995 bonds (distance) P-C4' energy: -53.479 flat angles C4'-P-C4' energy: -53.096 flat angles P-C4'-P energy: -34.954 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -289.676454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.676454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.676454 (E_RNA) where: Base-Base interactions energy: -120.725 where: short stacking energy: -93.233 Base-Backbone interact. energy: 0.076 local terms energy: -169.027282 where: bonds (distance) C4'-P energy: -53.497 bonds (distance) P-C4' energy: -57.296 flat angles C4'-P-C4' energy: -37.814 flat angles P-C4'-P energy: -38.334 tors. eta vs tors. theta energy: 17.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1156.243622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.243622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.243622 (E_RNA) where: Base-Base interactions energy: -814.150 where: short stacking energy: -303.891 Base-Backbone interact. energy: -2.651 local terms energy: -339.443346 where: bonds (distance) C4'-P energy: -66.701 bonds (distance) P-C4' energy: -61.260 flat angles C4'-P-C4' energy: -71.989 flat angles P-C4'-P energy: -49.405 tors. eta vs tors. theta energy: -90.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1101.762193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.762193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.762193 (E_RNA) where: Base-Base interactions energy: -755.938 where: short stacking energy: -313.073 Base-Backbone interact. energy: -2.403 local terms energy: -343.422074 where: bonds (distance) C4'-P energy: -61.479 bonds (distance) P-C4' energy: -63.757 flat angles C4'-P-C4' energy: -79.272 flat angles P-C4'-P energy: -49.612 tors. eta vs tors. theta energy: -89.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1067.405951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.405951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.405951 (E_RNA) where: Base-Base interactions energy: -736.316 where: short stacking energy: -297.009 Base-Backbone interact. energy: -0.265 local terms energy: -330.824120 where: bonds (distance) C4'-P energy: -65.567 bonds (distance) P-C4' energy: -58.644 flat angles C4'-P-C4' energy: -68.189 flat angles P-C4'-P energy: -48.265 tors. eta vs tors. theta energy: -90.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -941.718894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.718894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.718894 (E_RNA) where: Base-Base interactions energy: -647.659 where: short stacking energy: -259.406 Base-Backbone interact. energy: -0.072 local terms energy: -293.988313 where: bonds (distance) C4'-P energy: -57.173 bonds (distance) P-C4' energy: -55.492 flat angles C4'-P-C4' energy: -59.724 flat angles P-C4'-P energy: -44.201 tors. eta vs tors. theta energy: -77.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -902.586770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.586770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.586770 (E_RNA) where: Base-Base interactions energy: -607.610 where: short stacking energy: -272.363 Base-Backbone interact. energy: -0.752 local terms energy: -294.224579 where: bonds (distance) C4'-P energy: -64.265 bonds (distance) P-C4' energy: -55.221 flat angles C4'-P-C4' energy: -53.292 flat angles P-C4'-P energy: -42.841 tors. eta vs tors. theta energy: -78.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -822.371077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.371077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.371077 (E_RNA) where: Base-Base interactions energy: -538.348 where: short stacking energy: -246.389 Base-Backbone interact. energy: 0.115 local terms energy: -284.138055 where: bonds (distance) C4'-P energy: -52.764 bonds (distance) P-C4' energy: -52.248 flat angles C4'-P-C4' energy: -65.758 flat angles P-C4'-P energy: -45.561 tors. eta vs tors. theta energy: -67.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -630.961889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.961889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.961889 (E_RNA) where: Base-Base interactions energy: -376.221 where: short stacking energy: -187.658 Base-Backbone interact. energy: -0.920 local terms energy: -253.820628 where: bonds (distance) C4'-P energy: -50.930 bonds (distance) P-C4' energy: -66.183 flat angles C4'-P-C4' energy: -63.555 flat angles P-C4'-P energy: -40.992 tors. eta vs tors. theta energy: -32.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -494.416398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.416398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.416398 (E_RNA) where: Base-Base interactions energy: -295.347 where: short stacking energy: -154.694 Base-Backbone interact. energy: 0.306 local terms energy: -199.375207 where: bonds (distance) C4'-P energy: -41.407 bonds (distance) P-C4' energy: -58.645 flat angles C4'-P-C4' energy: -39.156 flat angles P-C4'-P energy: -43.843 tors. eta vs tors. theta energy: -16.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -496.202112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.202112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.202112 (E_RNA) where: Base-Base interactions energy: -317.839 where: short stacking energy: -157.902 Base-Backbone interact. energy: 1.299 local terms energy: -179.662662 where: bonds (distance) C4'-P energy: -34.842 bonds (distance) P-C4' energy: -66.888 flat angles C4'-P-C4' energy: -54.285 flat angles P-C4'-P energy: -18.343 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -266.869795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.869795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.869795 (E_RNA) where: Base-Base interactions energy: -110.583 where: short stacking energy: -69.177 Base-Backbone interact. energy: -0.081 local terms energy: -156.205177 where: bonds (distance) C4'-P energy: -49.292 bonds (distance) P-C4' energy: -59.429 flat angles C4'-P-C4' energy: -31.879 flat angles P-C4'-P energy: -33.912 tors. eta vs tors. theta energy: 18.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1160.940534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.940534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.940534 (E_RNA) where: Base-Base interactions energy: -819.097 where: short stacking energy: -313.989 Base-Backbone interact. energy: 3.770 local terms energy: -345.612788 where: bonds (distance) C4'-P energy: -68.494 bonds (distance) P-C4' energy: -61.852 flat angles C4'-P-C4' energy: -70.830 flat angles P-C4'-P energy: -48.309 tors. eta vs tors. theta energy: -96.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1106.037851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.037851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.037851 (E_RNA) where: Base-Base interactions energy: -784.972 where: short stacking energy: -339.960 Base-Backbone interact. energy: -1.082 local terms energy: -319.983910 where: bonds (distance) C4'-P energy: -62.310 bonds (distance) P-C4' energy: -56.986 flat angles C4'-P-C4' energy: -66.797 flat angles P-C4'-P energy: -38.257 tors. eta vs tors. theta energy: -95.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1087.731165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.731165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.731165 (E_RNA) where: Base-Base interactions energy: -744.590 where: short stacking energy: -312.006 Base-Backbone interact. energy: -2.287 local terms energy: -340.854449 where: bonds (distance) C4'-P energy: -65.378 bonds (distance) P-C4' energy: -64.353 flat angles C4'-P-C4' energy: -66.650 flat angles P-C4'-P energy: -46.027 tors. eta vs tors. theta energy: -98.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -957.417891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.417891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.417891 (E_RNA) where: Base-Base interactions energy: -656.659 where: short stacking energy: -276.610 Base-Backbone interact. energy: 0.163 local terms energy: -300.921863 where: bonds (distance) C4'-P energy: -57.832 bonds (distance) P-C4' energy: -50.444 flat angles C4'-P-C4' energy: -62.111 flat angles P-C4'-P energy: -42.028 tors. eta vs tors. theta energy: -88.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -929.225153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.225153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.225153 (E_RNA) where: Base-Base interactions energy: -611.746 where: short stacking energy: -291.988 Base-Backbone interact. energy: -1.792 local terms energy: -315.687547 where: bonds (distance) C4'-P energy: -52.870 bonds (distance) P-C4' energy: -61.558 flat angles C4'-P-C4' energy: -59.701 flat angles P-C4'-P energy: -46.975 tors. eta vs tors. theta energy: -94.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -816.348423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.348423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.348423 (E_RNA) where: Base-Base interactions energy: -551.563 where: short stacking energy: -244.272 Base-Backbone interact. energy: -1.053 local terms energy: -263.732353 where: bonds (distance) C4'-P energy: -50.641 bonds (distance) P-C4' energy: -65.758 flat angles C4'-P-C4' energy: -63.397 flat angles P-C4'-P energy: -24.045 tors. eta vs tors. theta energy: -59.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -631.704349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.704349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.704349 (E_RNA) where: Base-Base interactions energy: -395.190 where: short stacking energy: -208.464 Base-Backbone interact. energy: 0.420 local terms energy: -236.934438 where: bonds (distance) C4'-P energy: -49.771 bonds (distance) P-C4' energy: -52.070 flat angles C4'-P-C4' energy: -62.149 flat angles P-C4'-P energy: -30.185 tors. eta vs tors. theta energy: -42.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -520.083789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.083789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.083789 (E_RNA) where: Base-Base interactions energy: -295.325 where: short stacking energy: -169.898 Base-Backbone interact. energy: -0.510 local terms energy: -224.248386 where: bonds (distance) C4'-P energy: -44.304 bonds (distance) P-C4' energy: -54.696 flat angles C4'-P-C4' energy: -51.178 flat angles P-C4'-P energy: -32.442 tors. eta vs tors. theta energy: -41.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -448.989045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.989045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.989045 (E_RNA) where: Base-Base interactions energy: -248.757 where: short stacking energy: -119.516 Base-Backbone interact. energy: -3.916 local terms energy: -196.315637 where: bonds (distance) C4'-P energy: -49.382 bonds (distance) P-C4' energy: -56.531 flat angles C4'-P-C4' energy: -50.461 flat angles P-C4'-P energy: -23.326 tors. eta vs tors. theta energy: -16.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -296.123284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.123284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.123284 (E_RNA) where: Base-Base interactions energy: -126.001 where: short stacking energy: -100.648 Base-Backbone interact. energy: 1.274 local terms energy: -171.396492 where: bonds (distance) C4'-P energy: -45.928 bonds (distance) P-C4' energy: -56.729 flat angles C4'-P-C4' energy: -42.412 flat angles P-C4'-P energy: -29.337 tors. eta vs tors. theta energy: 3.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1180.583402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.583402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.583402 (E_RNA) where: Base-Base interactions energy: -843.438 where: short stacking energy: -324.910 Base-Backbone interact. energy: -0.009 local terms energy: -337.136577 where: bonds (distance) C4'-P energy: -60.748 bonds (distance) P-C4' energy: -65.419 flat angles C4'-P-C4' energy: -72.387 flat angles P-C4'-P energy: -43.599 tors. eta vs tors. theta energy: -94.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1103.586196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.586196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.586196 (E_RNA) where: Base-Base interactions energy: -769.495 where: short stacking energy: -323.322 Base-Backbone interact. energy: -0.224 local terms energy: -333.866711 where: bonds (distance) C4'-P energy: -58.802 bonds (distance) P-C4' energy: -66.437 flat angles C4'-P-C4' energy: -64.079 flat angles P-C4'-P energy: -41.468 tors. eta vs tors. theta energy: -103.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1074.534762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.534762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.534762 (E_RNA) where: Base-Base interactions energy: -754.856 where: short stacking energy: -313.844 Base-Backbone interact. energy: -0.879 local terms energy: -318.799919 where: bonds (distance) C4'-P energy: -55.098 bonds (distance) P-C4' energy: -56.071 flat angles C4'-P-C4' energy: -73.125 flat angles P-C4'-P energy: -46.577 tors. eta vs tors. theta energy: -87.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -978.155885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.155885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.155885 (E_RNA) where: Base-Base interactions energy: -655.142 where: short stacking energy: -269.542 Base-Backbone interact. energy: -1.204 local terms energy: -321.809363 where: bonds (distance) C4'-P energy: -55.912 bonds (distance) P-C4' energy: -61.203 flat angles C4'-P-C4' energy: -75.223 flat angles P-C4'-P energy: -46.299 tors. eta vs tors. theta energy: -83.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -922.214384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.214384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.214384 (E_RNA) where: Base-Base interactions energy: -630.268 where: short stacking energy: -288.422 Base-Backbone interact. energy: -0.244 local terms energy: -291.703068 where: bonds (distance) C4'-P energy: -47.740 bonds (distance) P-C4' energy: -55.429 flat angles C4'-P-C4' energy: -64.852 flat angles P-C4'-P energy: -32.995 tors. eta vs tors. theta energy: -90.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -845.755604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.755604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.755604 (E_RNA) where: Base-Base interactions energy: -568.616 where: short stacking energy: -288.862 Base-Backbone interact. energy: 0.261 local terms energy: -277.401189 where: bonds (distance) C4'-P energy: -45.337 bonds (distance) P-C4' energy: -56.014 flat angles C4'-P-C4' energy: -62.250 flat angles P-C4'-P energy: -35.229 tors. eta vs tors. theta energy: -78.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -610.714692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.714692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.714692 (E_RNA) where: Base-Base interactions energy: -361.255 where: short stacking energy: -184.478 Base-Backbone interact. energy: -0.106 local terms energy: -249.353911 where: bonds (distance) C4'-P energy: -56.205 bonds (distance) P-C4' energy: -62.447 flat angles C4'-P-C4' energy: -51.399 flat angles P-C4'-P energy: -37.490 tors. eta vs tors. theta energy: -41.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -483.653986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.653986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.653986 (E_RNA) where: Base-Base interactions energy: -290.045 where: short stacking energy: -151.857 Base-Backbone interact. energy: 2.577 local terms energy: -196.186388 where: bonds (distance) C4'-P energy: -51.489 bonds (distance) P-C4' energy: -47.078 flat angles C4'-P-C4' energy: -53.290 flat angles P-C4'-P energy: -25.258 tors. eta vs tors. theta energy: -19.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -404.304147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.304147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.304147 (E_RNA) where: Base-Base interactions energy: -204.364 where: short stacking energy: -122.027 Base-Backbone interact. energy: 2.308 local terms energy: -202.247671 where: bonds (distance) C4'-P energy: -45.201 bonds (distance) P-C4' energy: -62.437 flat angles C4'-P-C4' energy: -57.731 flat angles P-C4'-P energy: -24.610 tors. eta vs tors. theta energy: -12.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -279.606343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.606343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.606343 (E_RNA) where: Base-Base interactions energy: -93.946 where: short stacking energy: -93.821 Base-Backbone interact. energy: -0.566 local terms energy: -185.095242 where: bonds (distance) C4'-P energy: -52.198 bonds (distance) P-C4' energy: -58.784 flat angles C4'-P-C4' energy: -49.989 flat angles P-C4'-P energy: -26.704 tors. eta vs tors. theta energy: 2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1153.367483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.367483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.367483 (E_RNA) where: Base-Base interactions energy: -801.491 where: short stacking energy: -318.616 Base-Backbone interact. energy: 1.227 local terms energy: -353.104265 where: bonds (distance) C4'-P energy: -74.790 bonds (distance) P-C4' energy: -65.900 flat angles C4'-P-C4' energy: -71.151 flat angles P-C4'-P energy: -49.243 tors. eta vs tors. theta energy: -92.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1095.360154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.360154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.360154 (E_RNA) where: Base-Base interactions energy: -761.514 where: short stacking energy: -322.941 Base-Backbone interact. energy: -0.662 local terms energy: -333.184499 where: bonds (distance) C4'-P energy: -62.935 bonds (distance) P-C4' energy: -64.449 flat angles C4'-P-C4' energy: -65.293 flat angles P-C4'-P energy: -43.767 tors. eta vs tors. theta energy: -96.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1068.995266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.995266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.995266 (E_RNA) where: Base-Base interactions energy: -764.513 where: short stacking energy: -303.322 Base-Backbone interact. energy: 1.465 local terms energy: -305.947901 where: bonds (distance) C4'-P energy: -53.462 bonds (distance) P-C4' energy: -60.866 flat angles C4'-P-C4' energy: -68.744 flat angles P-C4'-P energy: -35.679 tors. eta vs tors. theta energy: -87.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -976.888660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.888660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.888660 (E_RNA) where: Base-Base interactions energy: -656.037 where: short stacking energy: -279.970 Base-Backbone interact. energy: -0.456 local terms energy: -320.395019 where: bonds (distance) C4'-P energy: -52.989 bonds (distance) P-C4' energy: -63.958 flat angles C4'-P-C4' energy: -70.213 flat angles P-C4'-P energy: -46.437 tors. eta vs tors. theta energy: -86.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -922.276926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.276926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.276926 (E_RNA) where: Base-Base interactions energy: -614.718 where: short stacking energy: -268.579 Base-Backbone interact. energy: -1.869 local terms energy: -305.689464 where: bonds (distance) C4'-P energy: -65.145 bonds (distance) P-C4' energy: -55.501 flat angles C4'-P-C4' energy: -59.996 flat angles P-C4'-P energy: -45.420 tors. eta vs tors. theta energy: -79.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -795.597962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.597962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.597962 (E_RNA) where: Base-Base interactions energy: -533.890 where: short stacking energy: -234.330 Base-Backbone interact. energy: 1.862 local terms energy: -263.569205 where: bonds (distance) C4'-P energy: -48.579 bonds (distance) P-C4' energy: -60.600 flat angles C4'-P-C4' energy: -58.618 flat angles P-C4'-P energy: -39.182 tors. eta vs tors. theta energy: -56.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -613.932244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.932244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.932244 (E_RNA) where: Base-Base interactions energy: -370.115 where: short stacking energy: -160.082 Base-Backbone interact. energy: 0.271 local terms energy: -244.088991 where: bonds (distance) C4'-P energy: -55.796 bonds (distance) P-C4' energy: -57.750 flat angles C4'-P-C4' energy: -61.526 flat angles P-C4'-P energy: -35.025 tors. eta vs tors. theta energy: -33.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -462.598237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.598237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.598237 (E_RNA) where: Base-Base interactions energy: -249.389 where: short stacking energy: -122.176 Base-Backbone interact. energy: -0.320 local terms energy: -212.888972 where: bonds (distance) C4'-P energy: -43.898 bonds (distance) P-C4' energy: -64.340 flat angles C4'-P-C4' energy: -58.200 flat angles P-C4'-P energy: -37.869 tors. eta vs tors. theta energy: -8.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -378.659862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.659862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.659862 (E_RNA) where: Base-Base interactions energy: -199.130 where: short stacking energy: -108.604 Base-Backbone interact. energy: -0.970 local terms energy: -178.560077 where: bonds (distance) C4'-P energy: -59.405 bonds (distance) P-C4' energy: -56.325 flat angles C4'-P-C4' energy: -43.252 flat angles P-C4'-P energy: -22.501 tors. eta vs tors. theta energy: 2.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -265.267764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.267764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.267764 (E_RNA) where: Base-Base interactions energy: -134.994 where: short stacking energy: -92.157 Base-Backbone interact. energy: -1.711 local terms energy: -128.563012 where: bonds (distance) C4'-P energy: -43.308 bonds (distance) P-C4' energy: -51.615 flat angles C4'-P-C4' energy: -37.190 flat angles P-C4'-P energy: -10.448 tors. eta vs tors. theta energy: 13.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1155.688249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.688249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.688249 (E_RNA) where: Base-Base interactions energy: -815.373 where: short stacking energy: -318.330 Base-Backbone interact. energy: 0.825 local terms energy: -341.140127 where: bonds (distance) C4'-P energy: -57.176 bonds (distance) P-C4' energy: -67.743 flat angles C4'-P-C4' energy: -80.424 flat angles P-C4'-P energy: -47.393 tors. eta vs tors. theta energy: -88.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1085.384691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.384691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.384691 (E_RNA) where: Base-Base interactions energy: -765.127 where: short stacking energy: -316.200 Base-Backbone interact. energy: -0.830 local terms energy: -319.427185 where: bonds (distance) C4'-P energy: -50.494 bonds (distance) P-C4' energy: -62.269 flat angles C4'-P-C4' energy: -70.733 flat angles P-C4'-P energy: -43.580 tors. eta vs tors. theta energy: -92.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1065.681711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.681711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.681711 (E_RNA) where: Base-Base interactions energy: -747.832 where: short stacking energy: -310.547 Base-Backbone interact. energy: -1.405 local terms energy: -316.445106 where: bonds (distance) C4'-P energy: -54.651 bonds (distance) P-C4' energy: -65.725 flat angles C4'-P-C4' energy: -69.625 flat angles P-C4'-P energy: -43.682 tors. eta vs tors. theta energy: -82.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1008.576868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.576868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.576868 (E_RNA) where: Base-Base interactions energy: -690.625 where: short stacking energy: -296.123 Base-Backbone interact. energy: 0.016 local terms energy: -317.968689 where: bonds (distance) C4'-P energy: -55.673 bonds (distance) P-C4' energy: -54.632 flat angles C4'-P-C4' energy: -67.462 flat angles P-C4'-P energy: -43.430 tors. eta vs tors. theta energy: -96.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -930.182518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.182518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.182518 (E_RNA) where: Base-Base interactions energy: -612.796 where: short stacking energy: -281.822 Base-Backbone interact. energy: 0.538 local terms energy: -317.924754 where: bonds (distance) C4'-P energy: -63.843 bonds (distance) P-C4' energy: -63.755 flat angles C4'-P-C4' energy: -60.435 flat angles P-C4'-P energy: -38.387 tors. eta vs tors. theta energy: -91.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -853.397173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.397173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.397173 (E_RNA) where: Base-Base interactions energy: -574.010 where: short stacking energy: -246.973 Base-Backbone interact. energy: -0.157 local terms energy: -279.230113 where: bonds (distance) C4'-P energy: -46.640 bonds (distance) P-C4' energy: -64.644 flat angles C4'-P-C4' energy: -63.616 flat angles P-C4'-P energy: -44.093 tors. eta vs tors. theta energy: -60.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -632.388118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.388118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.388118 (E_RNA) where: Base-Base interactions energy: -385.120 where: short stacking energy: -182.375 Base-Backbone interact. energy: -0.657 local terms energy: -246.611162 where: bonds (distance) C4'-P energy: -45.854 bonds (distance) P-C4' energy: -54.269 flat angles C4'-P-C4' energy: -61.789 flat angles P-C4'-P energy: -38.364 tors. eta vs tors. theta energy: -46.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -467.653246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.653246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.653246 (E_RNA) where: Base-Base interactions energy: -229.870 where: short stacking energy: -137.601 Base-Backbone interact. energy: -0.536 local terms energy: -237.246960 where: bonds (distance) C4'-P energy: -56.348 bonds (distance) P-C4' energy: -63.837 flat angles C4'-P-C4' energy: -55.132 flat angles P-C4'-P energy: -44.703 tors. eta vs tors. theta energy: -17.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -375.811260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.811260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.811260 (E_RNA) where: Base-Base interactions energy: -186.135 where: short stacking energy: -121.341 Base-Backbone interact. energy: -0.960 local terms energy: -188.716332 where: bonds (distance) C4'-P energy: -55.231 bonds (distance) P-C4' energy: -52.304 flat angles C4'-P-C4' energy: -43.417 flat angles P-C4'-P energy: -29.748 tors. eta vs tors. theta energy: -8.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -283.648828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.648828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.648828 (E_RNA) where: Base-Base interactions energy: -114.238 where: short stacking energy: -82.955 Base-Backbone interact. energy: -1.396 local terms energy: -168.015001 where: bonds (distance) C4'-P energy: -48.062 bonds (distance) P-C4' energy: -54.637 flat angles C4'-P-C4' energy: -44.863 flat angles P-C4'-P energy: -24.195 tors. eta vs tors. theta energy: 3.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1175.214775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.214775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.214775 (E_RNA) where: Base-Base interactions energy: -820.155 where: short stacking energy: -323.715 Base-Backbone interact. energy: -0.896 local terms energy: -354.163809 where: bonds (distance) C4'-P energy: -67.544 bonds (distance) P-C4' energy: -71.549 flat angles C4'-P-C4' energy: -66.153 flat angles P-C4'-P energy: -51.334 tors. eta vs tors. theta energy: -97.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1113.374936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.374936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.374936 (E_RNA) where: Base-Base interactions energy: -769.303 where: short stacking energy: -313.760 Base-Backbone interact. energy: -1.928 local terms energy: -342.144201 where: bonds (distance) C4'-P energy: -61.945 bonds (distance) P-C4' energy: -67.028 flat angles C4'-P-C4' energy: -68.169 flat angles P-C4'-P energy: -43.645 tors. eta vs tors. theta energy: -101.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1075.899170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.899170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.899170 (E_RNA) where: Base-Base interactions energy: -749.806 where: short stacking energy: -298.682 Base-Backbone interact. energy: -1.298 local terms energy: -324.795429 where: bonds (distance) C4'-P energy: -46.991 bonds (distance) P-C4' energy: -60.515 flat angles C4'-P-C4' energy: -73.936 flat angles P-C4'-P energy: -57.514 tors. eta vs tors. theta energy: -85.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1000.532973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.532973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.532973 (E_RNA) where: Base-Base interactions energy: -688.877 where: short stacking energy: -292.366 Base-Backbone interact. energy: -1.267 local terms energy: -310.389071 where: bonds (distance) C4'-P energy: -57.135 bonds (distance) P-C4' energy: -61.745 flat angles C4'-P-C4' energy: -69.029 flat angles P-C4'-P energy: -38.341 tors. eta vs tors. theta energy: -84.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -959.826909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.826909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.826909 (E_RNA) where: Base-Base interactions energy: -641.259 where: short stacking energy: -288.227 Base-Backbone interact. energy: -2.625 local terms energy: -315.942980 where: bonds (distance) C4'-P energy: -56.927 bonds (distance) P-C4' energy: -64.273 flat angles C4'-P-C4' energy: -58.728 flat angles P-C4'-P energy: -44.407 tors. eta vs tors. theta energy: -91.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -802.863134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.863134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.863134 (E_RNA) where: Base-Base interactions energy: -509.960 where: short stacking energy: -227.692 Base-Backbone interact. energy: -2.617 local terms energy: -290.286078 where: bonds (distance) C4'-P energy: -55.898 bonds (distance) P-C4' energy: -64.296 flat angles C4'-P-C4' energy: -62.306 flat angles P-C4'-P energy: -44.901 tors. eta vs tors. theta energy: -62.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -627.958823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.958823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.958823 (E_RNA) where: Base-Base interactions energy: -386.748 where: short stacking energy: -192.117 Base-Backbone interact. energy: -1.516 local terms energy: -239.694952 where: bonds (distance) C4'-P energy: -57.166 bonds (distance) P-C4' energy: -47.892 flat angles C4'-P-C4' energy: -60.060 flat angles P-C4'-P energy: -38.236 tors. eta vs tors. theta energy: -36.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -463.922017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.922017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.922017 (E_RNA) where: Base-Base interactions energy: -261.807 where: short stacking energy: -127.831 Base-Backbone interact. energy: -0.019 local terms energy: -202.095673 where: bonds (distance) C4'-P energy: -48.703 bonds (distance) P-C4' energy: -51.080 flat angles C4'-P-C4' energy: -57.639 flat angles P-C4'-P energy: -31.366 tors. eta vs tors. theta energy: -13.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -382.662970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.662970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.662970 (E_RNA) where: Base-Base interactions energy: -189.269 where: short stacking energy: -127.638 Base-Backbone interact. energy: 1.073 local terms energy: -194.466838 where: bonds (distance) C4'-P energy: -46.174 bonds (distance) P-C4' energy: -56.194 flat angles C4'-P-C4' energy: -57.683 flat angles P-C4'-P energy: -25.678 tors. eta vs tors. theta energy: -8.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -276.459029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.459029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.459029 (E_RNA) where: Base-Base interactions energy: -111.795 where: short stacking energy: -77.959 Base-Backbone interact. energy: 1.054 local terms energy: -165.718426 where: bonds (distance) C4'-P energy: -60.858 bonds (distance) P-C4' energy: -45.376 flat angles C4'-P-C4' energy: -50.550 flat angles P-C4'-P energy: -28.398 tors. eta vs tors. theta energy: 19.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1148.869757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.869757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.869757 (E_RNA) where: Base-Base interactions energy: -808.418 where: short stacking energy: -320.225 Base-Backbone interact. energy: -3.499 local terms energy: -336.952680 where: bonds (distance) C4'-P energy: -57.401 bonds (distance) P-C4' energy: -74.400 flat angles C4'-P-C4' energy: -71.839 flat angles P-C4'-P energy: -44.812 tors. eta vs tors. theta energy: -88.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1094.234418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.234418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.234418 (E_RNA) where: Base-Base interactions energy: -765.412 where: short stacking energy: -318.412 Base-Backbone interact. energy: -1.736 local terms energy: -327.086878 where: bonds (distance) C4'-P energy: -63.633 bonds (distance) P-C4' energy: -64.074 flat angles C4'-P-C4' energy: -64.914 flat angles P-C4'-P energy: -44.187 tors. eta vs tors. theta energy: -90.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1088.335565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.335565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.335565 (E_RNA) where: Base-Base interactions energy: -755.020 where: short stacking energy: -308.295 Base-Backbone interact. energy: -1.297 local terms energy: -332.017999 where: bonds (distance) C4'-P energy: -68.280 bonds (distance) P-C4' energy: -62.778 flat angles C4'-P-C4' energy: -66.089 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -91.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -990.856014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.856014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.856014 (E_RNA) where: Base-Base interactions energy: -670.720 where: short stacking energy: -273.847 Base-Backbone interact. energy: 1.390 local terms energy: -321.526025 where: bonds (distance) C4'-P energy: -67.662 bonds (distance) P-C4' energy: -58.319 flat angles C4'-P-C4' energy: -66.700 flat angles P-C4'-P energy: -48.110 tors. eta vs tors. theta energy: -80.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -923.552348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.552348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.552348 (E_RNA) where: Base-Base interactions energy: -618.124 where: short stacking energy: -272.412 Base-Backbone interact. energy: -0.426 local terms energy: -305.002042 where: bonds (distance) C4'-P energy: -59.884 bonds (distance) P-C4' energy: -50.711 flat angles C4'-P-C4' energy: -67.793 flat angles P-C4'-P energy: -47.048 tors. eta vs tors. theta energy: -79.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -811.286036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.286036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.286036 (E_RNA) where: Base-Base interactions energy: -528.135 where: short stacking energy: -240.753 Base-Backbone interact. energy: -3.245 local terms energy: -279.905890 where: bonds (distance) C4'-P energy: -52.802 bonds (distance) P-C4' energy: -62.640 flat angles C4'-P-C4' energy: -63.891 flat angles P-C4'-P energy: -45.845 tors. eta vs tors. theta energy: -54.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -624.594031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.594031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.594031 (E_RNA) where: Base-Base interactions energy: -370.375 where: short stacking energy: -182.727 Base-Backbone interact. energy: -0.844 local terms energy: -253.375500 where: bonds (distance) C4'-P energy: -47.465 bonds (distance) P-C4' energy: -55.076 flat angles C4'-P-C4' energy: -58.673 flat angles P-C4'-P energy: -44.585 tors. eta vs tors. theta energy: -47.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -477.043165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.043165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.043165 (E_RNA) where: Base-Base interactions energy: -270.870 where: short stacking energy: -142.021 Base-Backbone interact. energy: -1.566 local terms energy: -204.606971 where: bonds (distance) C4'-P energy: -49.629 bonds (distance) P-C4' energy: -56.661 flat angles C4'-P-C4' energy: -55.458 flat angles P-C4'-P energy: -27.325 tors. eta vs tors. theta energy: -15.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -363.179897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.179897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.179897 (E_RNA) where: Base-Base interactions energy: -174.263 where: short stacking energy: -118.257 Base-Backbone interact. energy: 4.191 local terms energy: -193.108489 where: bonds (distance) C4'-P energy: -52.940 bonds (distance) P-C4' energy: -58.019 flat angles C4'-P-C4' energy: -46.428 flat angles P-C4'-P energy: -29.098 tors. eta vs tors. theta energy: -6.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -258.693962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.693962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.693962 (E_RNA) where: Base-Base interactions energy: -93.372 where: short stacking energy: -80.968 Base-Backbone interact. energy: 1.365 local terms energy: -166.687588 where: bonds (distance) C4'-P energy: -46.213 bonds (distance) P-C4' energy: -46.954 flat angles C4'-P-C4' energy: -37.884 flat angles P-C4'-P energy: -36.162 tors. eta vs tors. theta energy: 0.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1149.377870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.377870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.377870 (E_RNA) where: Base-Base interactions energy: -801.859 where: short stacking energy: -321.919 Base-Backbone interact. energy: -0.417 local terms energy: -347.101832 where: bonds (distance) C4'-P energy: -68.859 bonds (distance) P-C4' energy: -56.238 flat angles C4'-P-C4' energy: -75.820 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: -92.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1094.571702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.571702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.571702 (E_RNA) where: Base-Base interactions energy: -765.555 where: short stacking energy: -317.071 Base-Backbone interact. energy: -0.791 local terms energy: -328.225667 where: bonds (distance) C4'-P energy: -64.661 bonds (distance) P-C4' energy: -68.911 flat angles C4'-P-C4' energy: -72.477 flat angles P-C4'-P energy: -37.600 tors. eta vs tors. theta energy: -84.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1062.817987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.817987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.817987 (E_RNA) where: Base-Base interactions energy: -744.315 where: short stacking energy: -302.637 Base-Backbone interact. energy: -0.367 local terms energy: -318.136502 where: bonds (distance) C4'-P energy: -57.499 bonds (distance) P-C4' energy: -55.800 flat angles C4'-P-C4' energy: -69.442 flat angles P-C4'-P energy: -44.858 tors. eta vs tors. theta energy: -90.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -990.775432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.775432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.775432 (E_RNA) where: Base-Base interactions energy: -680.837 where: short stacking energy: -282.434 Base-Backbone interact. energy: 2.711 local terms energy: -312.649264 where: bonds (distance) C4'-P energy: -54.605 bonds (distance) P-C4' energy: -64.820 flat angles C4'-P-C4' energy: -64.930 flat angles P-C4'-P energy: -44.887 tors. eta vs tors. theta energy: -83.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -907.872244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.872244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.872244 (E_RNA) where: Base-Base interactions energy: -616.077 where: short stacking energy: -290.783 Base-Backbone interact. energy: -2.230 local terms energy: -289.565919 where: bonds (distance) C4'-P energy: -55.088 bonds (distance) P-C4' energy: -53.866 flat angles C4'-P-C4' energy: -69.603 flat angles P-C4'-P energy: -33.987 tors. eta vs tors. theta energy: -77.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -813.463075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.463075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.463075 (E_RNA) where: Base-Base interactions energy: -536.944 where: short stacking energy: -256.868 Base-Backbone interact. energy: -0.566 local terms energy: -275.953417 where: bonds (distance) C4'-P energy: -55.737 bonds (distance) P-C4' energy: -56.033 flat angles C4'-P-C4' energy: -68.339 flat angles P-C4'-P energy: -32.407 tors. eta vs tors. theta energy: -63.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -659.958583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.958583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.958583 (E_RNA) where: Base-Base interactions energy: -405.983 where: short stacking energy: -202.296 Base-Backbone interact. energy: -1.210 local terms energy: -252.765949 where: bonds (distance) C4'-P energy: -54.991 bonds (distance) P-C4' energy: -52.247 flat angles C4'-P-C4' energy: -58.900 flat angles P-C4'-P energy: -38.731 tors. eta vs tors. theta energy: -47.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -511.040549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.040549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.040549 (E_RNA) where: Base-Base interactions energy: -307.297 where: short stacking energy: -160.127 Base-Backbone interact. energy: -0.028 local terms energy: -203.715760 where: bonds (distance) C4'-P energy: -42.741 bonds (distance) P-C4' energy: -56.100 flat angles C4'-P-C4' energy: -50.673 flat angles P-C4'-P energy: -40.828 tors. eta vs tors. theta energy: -13.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -375.393328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.393328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.393328 (E_RNA) where: Base-Base interactions energy: -179.747 where: short stacking energy: -113.096 Base-Backbone interact. energy: -1.727 local terms energy: -193.919869 where: bonds (distance) C4'-P energy: -54.524 bonds (distance) P-C4' energy: -57.530 flat angles C4'-P-C4' energy: -42.174 flat angles P-C4'-P energy: -35.729 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -290.697481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.697481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.697481 (E_RNA) where: Base-Base interactions energy: -103.013 where: short stacking energy: -86.285 Base-Backbone interact. energy: 2.135 local terms energy: -189.819348 where: bonds (distance) C4'-P energy: -48.521 bonds (distance) P-C4' energy: -67.465 flat angles C4'-P-C4' energy: -52.187 flat angles P-C4'-P energy: -18.000 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1153.685525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.685525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.685525 (E_RNA) where: Base-Base interactions energy: -802.737 where: short stacking energy: -306.044 Base-Backbone interact. energy: -1.721 local terms energy: -349.227910 where: bonds (distance) C4'-P energy: -63.071 bonds (distance) P-C4' energy: -70.166 flat angles C4'-P-C4' energy: -72.362 flat angles P-C4'-P energy: -52.331 tors. eta vs tors. theta energy: -91.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1088.994152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.994152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.994152 (E_RNA) where: Base-Base interactions energy: -779.547 where: short stacking energy: -328.212 Base-Backbone interact. energy: 4.917 local terms energy: -314.364446 where: bonds (distance) C4'-P energy: -54.623 bonds (distance) P-C4' energy: -46.552 flat angles C4'-P-C4' energy: -73.981 flat angles P-C4'-P energy: -47.221 tors. eta vs tors. theta energy: -91.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1056.433086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.433086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.433086 (E_RNA) where: Base-Base interactions energy: -734.256 where: short stacking energy: -311.658 Base-Backbone interact. energy: -2.754 local terms energy: -319.423142 where: bonds (distance) C4'-P energy: -46.181 bonds (distance) P-C4' energy: -67.334 flat angles C4'-P-C4' energy: -64.181 flat angles P-C4'-P energy: -44.374 tors. eta vs tors. theta energy: -97.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -977.545321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.545321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.545321 (E_RNA) where: Base-Base interactions energy: -659.936 where: short stacking energy: -272.285 Base-Backbone interact. energy: -3.365 local terms energy: -314.244657 where: bonds (distance) C4'-P energy: -66.360 bonds (distance) P-C4' energy: -56.297 flat angles C4'-P-C4' energy: -68.653 flat angles P-C4'-P energy: -43.418 tors. eta vs tors. theta energy: -79.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -917.363386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.363386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.363386 (E_RNA) where: Base-Base interactions energy: -606.217 where: short stacking energy: -281.970 Base-Backbone interact. energy: 1.778 local terms energy: -312.924648 where: bonds (distance) C4'-P energy: -56.610 bonds (distance) P-C4' energy: -57.883 flat angles C4'-P-C4' energy: -67.813 flat angles P-C4'-P energy: -41.189 tors. eta vs tors. theta energy: -89.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -836.308422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.308422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.308422 (E_RNA) where: Base-Base interactions energy: -556.837 where: short stacking energy: -261.272 Base-Backbone interact. energy: -0.552 local terms energy: -278.919942 where: bonds (distance) C4'-P energy: -43.492 bonds (distance) P-C4' energy: -59.041 flat angles C4'-P-C4' energy: -57.845 flat angles P-C4'-P energy: -39.902 tors. eta vs tors. theta energy: -78.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -638.407189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.407189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.407189 (E_RNA) where: Base-Base interactions energy: -388.905 where: short stacking energy: -184.147 Base-Backbone interact. energy: 1.009 local terms energy: -250.511821 where: bonds (distance) C4'-P energy: -57.563 bonds (distance) P-C4' energy: -54.811 flat angles C4'-P-C4' energy: -67.070 flat angles P-C4'-P energy: -33.855 tors. eta vs tors. theta energy: -37.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -498.628453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.628453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.628453 (E_RNA) where: Base-Base interactions energy: -315.959 where: short stacking energy: -126.775 Base-Backbone interact. energy: 1.272 local terms energy: -183.941261 where: bonds (distance) C4'-P energy: -44.641 bonds (distance) P-C4' energy: -42.286 flat angles C4'-P-C4' energy: -47.849 flat angles P-C4'-P energy: -33.265 tors. eta vs tors. theta energy: -15.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -375.320812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.320812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.320812 (E_RNA) where: Base-Base interactions energy: -203.324 where: short stacking energy: -125.964 Base-Backbone interact. energy: 3.453 local terms energy: -175.449697 where: bonds (distance) C4'-P energy: -53.472 bonds (distance) P-C4' energy: -49.996 flat angles C4'-P-C4' energy: -48.022 flat angles P-C4'-P energy: -25.659 tors. eta vs tors. theta energy: 1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -297.911890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.911890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.911890 (E_RNA) where: Base-Base interactions energy: -127.518 where: short stacking energy: -90.925 Base-Backbone interact. energy: -4.069 local terms energy: -166.325065 where: bonds (distance) C4'-P energy: -51.554 bonds (distance) P-C4' energy: -50.753 flat angles C4'-P-C4' energy: -43.694 flat angles P-C4'-P energy: -22.735 tors. eta vs tors. theta energy: 2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1161.197635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.197635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.197635 (E_RNA) where: Base-Base interactions energy: -810.211 where: short stacking energy: -313.586 Base-Backbone interact. energy: -1.839 local terms energy: -349.147889 where: bonds (distance) C4'-P energy: -70.175 bonds (distance) P-C4' energy: -66.961 flat angles C4'-P-C4' energy: -68.217 flat angles P-C4'-P energy: -51.922 tors. eta vs tors. theta energy: -91.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1078.481951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.481951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.481951 (E_RNA) where: Base-Base interactions energy: -756.605 where: short stacking energy: -304.386 Base-Backbone interact. energy: -1.762 local terms energy: -320.115054 where: bonds (distance) C4'-P energy: -63.119 bonds (distance) P-C4' energy: -54.086 flat angles C4'-P-C4' energy: -67.355 flat angles P-C4'-P energy: -48.418 tors. eta vs tors. theta energy: -87.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1056.857649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.857649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.857649 (E_RNA) where: Base-Base interactions energy: -737.713 where: short stacking energy: -309.693 Base-Backbone interact. energy: -0.114 local terms energy: -319.030852 where: bonds (distance) C4'-P energy: -66.411 bonds (distance) P-C4' energy: -54.744 flat angles C4'-P-C4' energy: -67.495 flat angles P-C4'-P energy: -46.902 tors. eta vs tors. theta energy: -83.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1010.391620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.391620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.391620 (E_RNA) where: Base-Base interactions energy: -681.267 where: short stacking energy: -282.752 Base-Backbone interact. energy: -3.934 local terms energy: -325.191170 where: bonds (distance) C4'-P energy: -53.034 bonds (distance) P-C4' energy: -67.768 flat angles C4'-P-C4' energy: -72.622 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -88.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -917.247714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.247714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.247714 (E_RNA) where: Base-Base interactions energy: -615.923 where: short stacking energy: -256.864 Base-Backbone interact. energy: -1.229 local terms energy: -300.095320 where: bonds (distance) C4'-P energy: -69.784 bonds (distance) P-C4' energy: -53.126 flat angles C4'-P-C4' energy: -57.819 flat angles P-C4'-P energy: -37.616 tors. eta vs tors. theta energy: -81.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -815.753557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.753557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.753557 (E_RNA) where: Base-Base interactions energy: -530.654 where: short stacking energy: -246.737 Base-Backbone interact. energy: 4.606 local terms energy: -289.705710 where: bonds (distance) C4'-P energy: -56.527 bonds (distance) P-C4' energy: -64.486 flat angles C4'-P-C4' energy: -61.773 flat angles P-C4'-P energy: -39.207 tors. eta vs tors. theta energy: -67.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -618.309210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.309210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.309210 (E_RNA) where: Base-Base interactions energy: -379.430 where: short stacking energy: -174.829 Base-Backbone interact. energy: 1.347 local terms energy: -240.225943 where: bonds (distance) C4'-P energy: -55.121 bonds (distance) P-C4' energy: -48.453 flat angles C4'-P-C4' energy: -62.259 flat angles P-C4'-P energy: -32.719 tors. eta vs tors. theta energy: -41.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -478.743452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.743452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.743452 (E_RNA) where: Base-Base interactions energy: -261.050 where: short stacking energy: -131.552 Base-Backbone interact. energy: -0.712 local terms energy: -216.981144 where: bonds (distance) C4'-P energy: -61.907 bonds (distance) P-C4' energy: -61.877 flat angles C4'-P-C4' energy: -46.375 flat angles P-C4'-P energy: -26.268 tors. eta vs tors. theta energy: -20.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -427.163000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.163000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.163000 (E_RNA) where: Base-Base interactions energy: -237.629 where: short stacking energy: -131.795 Base-Backbone interact. energy: -1.095 local terms energy: -188.438708 where: bonds (distance) C4'-P energy: -47.922 bonds (distance) P-C4' energy: -57.914 flat angles C4'-P-C4' energy: -40.934 flat angles P-C4'-P energy: -36.520 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -262.666184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.666184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.666184 (E_RNA) where: Base-Base interactions energy: -100.205 where: short stacking energy: -89.438 Base-Backbone interact. energy: -0.706 local terms energy: -161.754853 where: bonds (distance) C4'-P energy: -46.525 bonds (distance) P-C4' energy: -57.148 flat angles C4'-P-C4' energy: -44.496 flat angles P-C4'-P energy: -13.211 tors. eta vs tors. theta energy: -0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1158.149777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.149777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.149777 (E_RNA) where: Base-Base interactions energy: -827.051 where: short stacking energy: -318.159 Base-Backbone interact. energy: -0.927 local terms energy: -330.171130 where: bonds (distance) C4'-P energy: -62.228 bonds (distance) P-C4' energy: -65.057 flat angles C4'-P-C4' energy: -74.727 flat angles P-C4'-P energy: -40.492 tors. eta vs tors. theta energy: -87.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1097.426878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.426878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.426878 (E_RNA) where: Base-Base interactions energy: -781.123 where: short stacking energy: -319.988 Base-Backbone interact. energy: 0.957 local terms energy: -317.261589 where: bonds (distance) C4'-P energy: -58.697 bonds (distance) P-C4' energy: -54.350 flat angles C4'-P-C4' energy: -68.618 flat angles P-C4'-P energy: -48.063 tors. eta vs tors. theta energy: -87.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1075.792814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.792814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.792814 (E_RNA) where: Base-Base interactions energy: -753.030 where: short stacking energy: -313.957 Base-Backbone interact. energy: -3.031 local terms energy: -319.731174 where: bonds (distance) C4'-P energy: -56.558 bonds (distance) P-C4' energy: -67.004 flat angles C4'-P-C4' energy: -58.085 flat angles P-C4'-P energy: -44.226 tors. eta vs tors. theta energy: -93.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -972.983859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.983859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.983859 (E_RNA) where: Base-Base interactions energy: -660.140 where: short stacking energy: -279.181 Base-Backbone interact. energy: -2.047 local terms energy: -310.796992 where: bonds (distance) C4'-P energy: -60.938 bonds (distance) P-C4' energy: -56.080 flat angles C4'-P-C4' energy: -61.782 flat angles P-C4'-P energy: -46.050 tors. eta vs tors. theta energy: -85.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -917.203725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.203725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.203725 (E_RNA) where: Base-Base interactions energy: -618.414 where: short stacking energy: -280.853 Base-Backbone interact. energy: -0.878 local terms energy: -297.912134 where: bonds (distance) C4'-P energy: -53.771 bonds (distance) P-C4' energy: -56.333 flat angles C4'-P-C4' energy: -65.735 flat angles P-C4'-P energy: -35.187 tors. eta vs tors. theta energy: -86.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -780.670750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.670750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.670750 (E_RNA) where: Base-Base interactions energy: -488.118 where: short stacking energy: -235.948 Base-Backbone interact. energy: -1.059 local terms energy: -291.493168 where: bonds (distance) C4'-P energy: -59.065 bonds (distance) P-C4' energy: -62.268 flat angles C4'-P-C4' energy: -65.387 flat angles P-C4'-P energy: -44.155 tors. eta vs tors. theta energy: -60.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -637.908669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.908669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.908669 (E_RNA) where: Base-Base interactions energy: -386.163 where: short stacking energy: -208.152 Base-Backbone interact. energy: -1.125 local terms energy: -250.620493 where: bonds (distance) C4'-P energy: -56.023 bonds (distance) P-C4' energy: -50.678 flat angles C4'-P-C4' energy: -61.164 flat angles P-C4'-P energy: -32.001 tors. eta vs tors. theta energy: -50.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -496.215766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.215766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.215766 (E_RNA) where: Base-Base interactions energy: -273.432 where: short stacking energy: -152.639 Base-Backbone interact. energy: -1.278 local terms energy: -221.505726 where: bonds (distance) C4'-P energy: -52.505 bonds (distance) P-C4' energy: -63.059 flat angles C4'-P-C4' energy: -49.488 flat angles P-C4'-P energy: -29.951 tors. eta vs tors. theta energy: -26.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -475.648741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.648741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.648741 (E_RNA) where: Base-Base interactions energy: -264.184 where: short stacking energy: -143.542 Base-Backbone interact. energy: -0.793 local terms energy: -210.671115 where: bonds (distance) C4'-P energy: -58.470 bonds (distance) P-C4' energy: -57.641 flat angles C4'-P-C4' energy: -48.847 flat angles P-C4'-P energy: -29.613 tors. eta vs tors. theta energy: -16.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -274.927412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.927412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.927412 (E_RNA) where: Base-Base interactions energy: -118.022 where: short stacking energy: -90.057 Base-Backbone interact. energy: 0.342 local terms energy: -157.247951 where: bonds (distance) C4'-P energy: -43.991 bonds (distance) P-C4' energy: -48.619 flat angles C4'-P-C4' energy: -48.490 flat angles P-C4'-P energy: -30.341 tors. eta vs tors. theta energy: 14.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1158.714646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.714646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.714646 (E_RNA) where: Base-Base interactions energy: -823.942 where: short stacking energy: -321.944 Base-Backbone interact. energy: 4.989 local terms energy: -339.761211 where: bonds (distance) C4'-P energy: -66.927 bonds (distance) P-C4' energy: -66.716 flat angles C4'-P-C4' energy: -77.020 flat angles P-C4'-P energy: -39.581 tors. eta vs tors. theta energy: -89.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1100.906669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.906669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.906669 (E_RNA) where: Base-Base interactions energy: -780.668 where: short stacking energy: -319.964 Base-Backbone interact. energy: -0.580 local terms energy: -319.659053 where: bonds (distance) C4'-P energy: -62.400 bonds (distance) P-C4' energy: -55.857 flat angles C4'-P-C4' energy: -71.346 flat angles P-C4'-P energy: -39.734 tors. eta vs tors. theta energy: -90.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1065.820019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.820019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.820019 (E_RNA) where: Base-Base interactions energy: -756.035 where: short stacking energy: -310.716 Base-Backbone interact. energy: -2.022 local terms energy: -307.762715 where: bonds (distance) C4'-P energy: -56.592 bonds (distance) P-C4' energy: -49.240 flat angles C4'-P-C4' energy: -60.840 flat angles P-C4'-P energy: -47.556 tors. eta vs tors. theta energy: -93.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -956.798852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.798852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.798852 (E_RNA) where: Base-Base interactions energy: -649.320 where: short stacking energy: -274.323 Base-Backbone interact. energy: -0.750 local terms energy: -306.729199 where: bonds (distance) C4'-P energy: -50.571 bonds (distance) P-C4' energy: -61.295 flat angles C4'-P-C4' energy: -61.365 flat angles P-C4'-P energy: -40.528 tors. eta vs tors. theta energy: -92.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -932.578119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.578119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.578119 (E_RNA) where: Base-Base interactions energy: -631.165 where: short stacking energy: -282.376 Base-Backbone interact. energy: -1.524 local terms energy: -299.889051 where: bonds (distance) C4'-P energy: -59.051 bonds (distance) P-C4' energy: -46.705 flat angles C4'-P-C4' energy: -67.984 flat angles P-C4'-P energy: -44.687 tors. eta vs tors. theta energy: -81.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -832.415386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.415386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.415386 (E_RNA) where: Base-Base interactions energy: -536.330 where: short stacking energy: -254.214 Base-Backbone interact. energy: -1.437 local terms energy: -294.648863 where: bonds (distance) C4'-P energy: -61.511 bonds (distance) P-C4' energy: -60.859 flat angles C4'-P-C4' energy: -61.236 flat angles P-C4'-P energy: -49.021 tors. eta vs tors. theta energy: -62.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -574.913600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.913600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.913600 (E_RNA) where: Base-Base interactions energy: -343.634 where: short stacking energy: -183.610 Base-Backbone interact. energy: 0.663 local terms energy: -231.942547 where: bonds (distance) C4'-P energy: -57.538 bonds (distance) P-C4' energy: -61.516 flat angles C4'-P-C4' energy: -46.538 flat angles P-C4'-P energy: -34.035 tors. eta vs tors. theta energy: -32.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -477.440018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.440018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.440018 (E_RNA) where: Base-Base interactions energy: -253.587 where: short stacking energy: -157.325 Base-Backbone interact. energy: -1.120 local terms energy: -222.733259 where: bonds (distance) C4'-P energy: -52.002 bonds (distance) P-C4' energy: -57.865 flat angles C4'-P-C4' energy: -45.300 flat angles P-C4'-P energy: -41.981 tors. eta vs tors. theta energy: -25.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -467.602892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.602892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.602892 (E_RNA) where: Base-Base interactions energy: -260.124 where: short stacking energy: -137.892 Base-Backbone interact. energy: -0.826 local terms energy: -206.652904 where: bonds (distance) C4'-P energy: -54.033 bonds (distance) P-C4' energy: -49.909 flat angles C4'-P-C4' energy: -51.092 flat angles P-C4'-P energy: -26.087 tors. eta vs tors. theta energy: -25.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -429.001450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.001450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.001450 (E_RNA) where: Base-Base interactions energy: -255.213 where: short stacking energy: -115.605 Base-Backbone interact. energy: -0.729 local terms energy: -173.060306 where: bonds (distance) C4'-P energy: -49.225 bonds (distance) P-C4' energy: -56.107 flat angles C4'-P-C4' energy: -49.091 flat angles P-C4'-P energy: -15.269 tors. eta vs tors. theta energy: -3.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1157.899847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.899847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.899847 (E_RNA) where: Base-Base interactions energy: -812.082 where: short stacking energy: -318.669 Base-Backbone interact. energy: -2.173 local terms energy: -343.644729 where: bonds (distance) C4'-P energy: -61.653 bonds (distance) P-C4' energy: -65.892 flat angles C4'-P-C4' energy: -81.737 flat angles P-C4'-P energy: -47.901 tors. eta vs tors. theta energy: -86.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1109.897210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.897210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.897210 (E_RNA) where: Base-Base interactions energy: -774.141 where: short stacking energy: -308.212 Base-Backbone interact. energy: -1.732 local terms energy: -334.023816 where: bonds (distance) C4'-P energy: -67.404 bonds (distance) P-C4' energy: -63.193 flat angles C4'-P-C4' energy: -61.869 flat angles P-C4'-P energy: -52.752 tors. eta vs tors. theta energy: -88.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1057.019251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.019251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.019251 (E_RNA) where: Base-Base interactions energy: -728.030 where: short stacking energy: -296.813 Base-Backbone interact. energy: -1.260 local terms energy: -327.728557 where: bonds (distance) C4'-P energy: -66.436 bonds (distance) P-C4' energy: -67.852 flat angles C4'-P-C4' energy: -59.667 flat angles P-C4'-P energy: -40.319 tors. eta vs tors. theta energy: -93.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1000.857712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.857712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.857712 (E_RNA) where: Base-Base interactions energy: -671.677 where: short stacking energy: -289.550 Base-Backbone interact. energy: 0.738 local terms energy: -329.918808 where: bonds (distance) C4'-P energy: -61.228 bonds (distance) P-C4' energy: -55.859 flat angles C4'-P-C4' energy: -72.864 flat angles P-C4'-P energy: -46.540 tors. eta vs tors. theta energy: -93.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -934.903106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.903106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.903106 (E_RNA) where: Base-Base interactions energy: -620.000 where: short stacking energy: -269.162 Base-Backbone interact. energy: -1.038 local terms energy: -313.864561 where: bonds (distance) C4'-P energy: -61.980 bonds (distance) P-C4' energy: -60.699 flat angles C4'-P-C4' energy: -67.658 flat angles P-C4'-P energy: -45.586 tors. eta vs tors. theta energy: -77.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -825.045879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.045879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.045879 (E_RNA) where: Base-Base interactions energy: -533.169 where: short stacking energy: -247.335 Base-Backbone interact. energy: -1.338 local terms energy: -290.539218 where: bonds (distance) C4'-P energy: -56.547 bonds (distance) P-C4' energy: -68.689 flat angles C4'-P-C4' energy: -63.666 flat angles P-C4'-P energy: -36.452 tors. eta vs tors. theta energy: -65.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -652.783371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.783371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.783371 (E_RNA) where: Base-Base interactions energy: -412.180 where: short stacking energy: -194.574 Base-Backbone interact. energy: -0.410 local terms energy: -240.193121 where: bonds (distance) C4'-P energy: -56.471 bonds (distance) P-C4' energy: -46.508 flat angles C4'-P-C4' energy: -70.150 flat angles P-C4'-P energy: -36.365 tors. eta vs tors. theta energy: -30.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -504.519163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.519163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.519163 (E_RNA) where: Base-Base interactions energy: -273.188 where: short stacking energy: -131.962 Base-Backbone interact. energy: -0.947 local terms energy: -230.384339 where: bonds (distance) C4'-P energy: -51.954 bonds (distance) P-C4' energy: -59.551 flat angles C4'-P-C4' energy: -56.372 flat angles P-C4'-P energy: -37.025 tors. eta vs tors. theta energy: -25.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -457.149508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.149508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.149508 (E_RNA) where: Base-Base interactions energy: -239.486 where: short stacking energy: -139.902 Base-Backbone interact. energy: -0.889 local terms energy: -216.774507 where: bonds (distance) C4'-P energy: -58.089 bonds (distance) P-C4' energy: -66.805 flat angles C4'-P-C4' energy: -45.282 flat angles P-C4'-P energy: -22.746 tors. eta vs tors. theta energy: -23.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -453.916013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.916013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.916013 (E_RNA) where: Base-Base interactions energy: -265.840 where: short stacking energy: -149.035 Base-Backbone interact. energy: -0.945 local terms energy: -187.131227 where: bonds (distance) C4'-P energy: -50.519 bonds (distance) P-C4' energy: -42.860 flat angles C4'-P-C4' energy: -38.291 flat angles P-C4'-P energy: -31.688 tors. eta vs tors. theta energy: -23.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1178.921186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.921186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.921186 (E_RNA) where: Base-Base interactions energy: -841.003 where: short stacking energy: -321.633 Base-Backbone interact. energy: -0.202 local terms energy: -337.715769 where: bonds (distance) C4'-P energy: -63.364 bonds (distance) P-C4' energy: -62.572 flat angles C4'-P-C4' energy: -75.935 flat angles P-C4'-P energy: -44.197 tors. eta vs tors. theta energy: -91.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1101.266249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.266249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.266249 (E_RNA) where: Base-Base interactions energy: -763.580 where: short stacking energy: -323.763 Base-Backbone interact. energy: 2.355 local terms energy: -340.041385 where: bonds (distance) C4'-P energy: -62.939 bonds (distance) P-C4' energy: -70.570 flat angles C4'-P-C4' energy: -70.537 flat angles P-C4'-P energy: -45.141 tors. eta vs tors. theta energy: -90.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1052.108884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.108884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.108884 (E_RNA) where: Base-Base interactions energy: -734.316 where: short stacking energy: -296.562 Base-Backbone interact. energy: 3.471 local terms energy: -321.263709 where: bonds (distance) C4'-P energy: -61.274 bonds (distance) P-C4' energy: -59.289 flat angles C4'-P-C4' energy: -73.005 flat angles P-C4'-P energy: -43.176 tors. eta vs tors. theta energy: -84.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -983.963100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.963100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.963100 (E_RNA) where: Base-Base interactions energy: -676.178 where: short stacking energy: -283.023 Base-Backbone interact. energy: 1.564 local terms energy: -309.348302 where: bonds (distance) C4'-P energy: -57.672 bonds (distance) P-C4' energy: -68.006 flat angles C4'-P-C4' energy: -59.788 flat angles P-C4'-P energy: -40.890 tors. eta vs tors. theta energy: -82.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -943.984109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.984109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.984109 (E_RNA) where: Base-Base interactions energy: -658.428 where: short stacking energy: -282.158 Base-Backbone interact. energy: 6.011 local terms energy: -291.566802 where: bonds (distance) C4'-P energy: -53.128 bonds (distance) P-C4' energy: -56.699 flat angles C4'-P-C4' energy: -60.674 flat angles P-C4'-P energy: -44.480 tors. eta vs tors. theta energy: -76.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -793.387747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.387747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.387747 (E_RNA) where: Base-Base interactions energy: -517.719 where: short stacking energy: -262.513 Base-Backbone interact. energy: -0.242 local terms energy: -275.427114 where: bonds (distance) C4'-P energy: -48.810 bonds (distance) P-C4' energy: -60.887 flat angles C4'-P-C4' energy: -64.813 flat angles P-C4'-P energy: -35.323 tors. eta vs tors. theta energy: -65.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -647.784617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.784617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.784617 (E_RNA) where: Base-Base interactions energy: -411.949 where: short stacking energy: -186.988 Base-Backbone interact. energy: 1.987 local terms energy: -237.822558 where: bonds (distance) C4'-P energy: -53.043 bonds (distance) P-C4' energy: -52.778 flat angles C4'-P-C4' energy: -56.352 flat angles P-C4'-P energy: -35.701 tors. eta vs tors. theta energy: -39.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -509.558564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.558564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.558564 (E_RNA) where: Base-Base interactions energy: -291.523 where: short stacking energy: -158.645 Base-Backbone interact. energy: 6.580 local terms energy: -224.615342 where: bonds (distance) C4'-P energy: -57.348 bonds (distance) P-C4' energy: -58.001 flat angles C4'-P-C4' energy: -52.872 flat angles P-C4'-P energy: -34.578 tors. eta vs tors. theta energy: -21.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -504.496933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.496933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.496933 (E_RNA) where: Base-Base interactions energy: -306.333 where: short stacking energy: -164.274 Base-Backbone interact. energy: 6.613 local terms energy: -204.777016 where: bonds (distance) C4'-P energy: -51.343 bonds (distance) P-C4' energy: -48.067 flat angles C4'-P-C4' energy: -51.834 flat angles P-C4'-P energy: -25.980 tors. eta vs tors. theta energy: -27.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -436.086847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.086847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.086847 (E_RNA) where: Base-Base interactions energy: -235.524 where: short stacking energy: -120.217 Base-Backbone interact. energy: -0.256 local terms energy: -200.306318 where: bonds (distance) C4'-P energy: -47.987 bonds (distance) P-C4' energy: -62.370 flat angles C4'-P-C4' energy: -48.229 flat angles P-C4'-P energy: -30.886 tors. eta vs tors. theta energy: -10.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1165.535361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.535361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.535361 (E_RNA) where: Base-Base interactions energy: -809.664 where: short stacking energy: -313.099 Base-Backbone interact. energy: -1.387 local terms energy: -354.483842 where: bonds (distance) C4'-P energy: -65.987 bonds (distance) P-C4' energy: -72.589 flat angles C4'-P-C4' energy: -75.773 flat angles P-C4'-P energy: -48.126 tors. eta vs tors. theta energy: -92.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1109.854041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.854041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.854041 (E_RNA) where: Base-Base interactions energy: -782.388 where: short stacking energy: -337.040 Base-Backbone interact. energy: -1.844 local terms energy: -325.621651 where: bonds (distance) C4'-P energy: -59.801 bonds (distance) P-C4' energy: -59.032 flat angles C4'-P-C4' energy: -69.609 flat angles P-C4'-P energy: -42.870 tors. eta vs tors. theta energy: -94.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1063.747369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.747369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.747369 (E_RNA) where: Base-Base interactions energy: -751.182 where: short stacking energy: -298.576 Base-Backbone interact. energy: -1.008 local terms energy: -311.557974 where: bonds (distance) C4'-P energy: -65.309 bonds (distance) P-C4' energy: -56.287 flat angles C4'-P-C4' energy: -59.020 flat angles P-C4'-P energy: -46.586 tors. eta vs tors. theta energy: -84.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -976.417949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.417949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.417949 (E_RNA) where: Base-Base interactions energy: -655.238 where: short stacking energy: -278.833 Base-Backbone interact. energy: -2.013 local terms energy: -319.167075 where: bonds (distance) C4'-P energy: -51.703 bonds (distance) P-C4' energy: -63.242 flat angles C4'-P-C4' energy: -71.896 flat angles P-C4'-P energy: -50.587 tors. eta vs tors. theta energy: -81.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -948.177649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.177649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.177649 (E_RNA) where: Base-Base interactions energy: -660.732 where: short stacking energy: -268.911 Base-Backbone interact. energy: -2.407 local terms energy: -285.038404 where: bonds (distance) C4'-P energy: -58.922 bonds (distance) P-C4' energy: -66.751 flat angles C4'-P-C4' energy: -58.565 flat angles P-C4'-P energy: -34.800 tors. eta vs tors. theta energy: -66.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -791.287529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.287529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.287529 (E_RNA) where: Base-Base interactions energy: -528.788 where: short stacking energy: -239.555 Base-Backbone interact. energy: 1.039 local terms energy: -263.538446 where: bonds (distance) C4'-P energy: -48.141 bonds (distance) P-C4' energy: -60.690 flat angles C4'-P-C4' energy: -65.170 flat angles P-C4'-P energy: -38.559 tors. eta vs tors. theta energy: -50.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -710.090928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.090928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.090928 (E_RNA) where: Base-Base interactions energy: -452.490 where: short stacking energy: -231.950 Base-Backbone interact. energy: -2.001 local terms energy: -255.599837 where: bonds (distance) C4'-P energy: -44.654 bonds (distance) P-C4' energy: -54.771 flat angles C4'-P-C4' energy: -60.263 flat angles P-C4'-P energy: -42.183 tors. eta vs tors. theta energy: -53.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -520.857699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.857699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.857699 (E_RNA) where: Base-Base interactions energy: -332.534 where: short stacking energy: -149.329 Base-Backbone interact. energy: 1.171 local terms energy: -189.494280 where: bonds (distance) C4'-P energy: -44.262 bonds (distance) P-C4' energy: -51.420 flat angles C4'-P-C4' energy: -40.301 flat angles P-C4'-P energy: -36.403 tors. eta vs tors. theta energy: -17.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -521.937063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.937063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.937063 (E_RNA) where: Base-Base interactions energy: -333.537 where: short stacking energy: -158.747 Base-Backbone interact. energy: -0.745 local terms energy: -187.655572 where: bonds (distance) C4'-P energy: -48.936 bonds (distance) P-C4' energy: -51.110 flat angles C4'-P-C4' energy: -39.736 flat angles P-C4'-P energy: -34.842 tors. eta vs tors. theta energy: -13.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -332.633005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.633005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.633005 (E_RNA) where: Base-Base interactions energy: -149.798 where: short stacking energy: -87.615 Base-Backbone interact. energy: -0.602 local terms energy: -182.232365 where: bonds (distance) C4'-P energy: -49.448 bonds (distance) P-C4' energy: -53.652 flat angles C4'-P-C4' energy: -50.480 flat angles P-C4'-P energy: -29.695 tors. eta vs tors. theta energy: 1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1149.857542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.857542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.857542 (E_RNA) where: Base-Base interactions energy: -826.283 where: short stacking energy: -320.590 Base-Backbone interact. energy: -2.562 local terms energy: -321.011834 where: bonds (distance) C4'-P energy: -58.441 bonds (distance) P-C4' energy: -61.466 flat angles C4'-P-C4' energy: -69.644 flat angles P-C4'-P energy: -43.924 tors. eta vs tors. theta energy: -87.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1095.848086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.848086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.848086 (E_RNA) where: Base-Base interactions energy: -764.780 where: short stacking energy: -319.675 Base-Backbone interact. energy: -2.077 local terms energy: -328.990944 where: bonds (distance) C4'-P energy: -61.415 bonds (distance) P-C4' energy: -56.948 flat angles C4'-P-C4' energy: -73.775 flat angles P-C4'-P energy: -45.062 tors. eta vs tors. theta energy: -91.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1079.551543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.551543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.551543 (E_RNA) where: Base-Base interactions energy: -738.080 where: short stacking energy: -306.680 Base-Backbone interact. energy: -1.970 local terms energy: -339.501605 where: bonds (distance) C4'-P energy: -58.687 bonds (distance) P-C4' energy: -60.299 flat angles C4'-P-C4' energy: -71.677 flat angles P-C4'-P energy: -49.790 tors. eta vs tors. theta energy: -99.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -955.005653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.005653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.005653 (E_RNA) where: Base-Base interactions energy: -656.552 where: short stacking energy: -280.431 Base-Backbone interact. energy: -0.479 local terms energy: -297.974371 where: bonds (distance) C4'-P energy: -56.145 bonds (distance) P-C4' energy: -57.064 flat angles C4'-P-C4' energy: -61.959 flat angles P-C4'-P energy: -52.048 tors. eta vs tors. theta energy: -70.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -925.359039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.359039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.359039 (E_RNA) where: Base-Base interactions energy: -628.717 where: short stacking energy: -264.447 Base-Backbone interact. energy: -1.184 local terms energy: -295.458895 where: bonds (distance) C4'-P energy: -66.542 bonds (distance) P-C4' energy: -59.710 flat angles C4'-P-C4' energy: -65.186 flat angles P-C4'-P energy: -38.421 tors. eta vs tors. theta energy: -65.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -799.310290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.310290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.310290 (E_RNA) where: Base-Base interactions energy: -512.355 where: short stacking energy: -230.870 Base-Backbone interact. energy: -1.511 local terms energy: -285.444172 where: bonds (distance) C4'-P energy: -55.886 bonds (distance) P-C4' energy: -65.913 flat angles C4'-P-C4' energy: -65.254 flat angles P-C4'-P energy: -39.737 tors. eta vs tors. theta energy: -58.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -703.450177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.450177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.450177 (E_RNA) where: Base-Base interactions energy: -441.904 where: short stacking energy: -208.768 Base-Backbone interact. energy: -1.427 local terms energy: -260.119784 where: bonds (distance) C4'-P energy: -50.258 bonds (distance) P-C4' energy: -62.024 flat angles C4'-P-C4' energy: -62.271 flat angles P-C4'-P energy: -39.346 tors. eta vs tors. theta energy: -46.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -465.161361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.161361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.161361 (E_RNA) where: Base-Base interactions energy: -258.942 where: short stacking energy: -134.219 Base-Backbone interact. energy: -1.462 local terms energy: -204.757267 where: bonds (distance) C4'-P energy: -55.999 bonds (distance) P-C4' energy: -47.810 flat angles C4'-P-C4' energy: -59.794 flat angles P-C4'-P energy: -31.662 tors. eta vs tors. theta energy: -9.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -498.296523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.296523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.296523 (E_RNA) where: Base-Base interactions energy: -297.231 where: short stacking energy: -153.193 Base-Backbone interact. energy: -2.163 local terms energy: -198.901889 where: bonds (distance) C4'-P energy: -50.512 bonds (distance) P-C4' energy: -59.832 flat angles C4'-P-C4' energy: -42.201 flat angles P-C4'-P energy: -21.294 tors. eta vs tors. theta energy: -25.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -343.786923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.786923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.786923 (E_RNA) where: Base-Base interactions energy: -172.088 where: short stacking energy: -98.892 Base-Backbone interact. energy: 3.659 local terms energy: -175.357833 where: bonds (distance) C4'-P energy: -46.232 bonds (distance) P-C4' energy: -61.429 flat angles C4'-P-C4' energy: -48.993 flat angles P-C4'-P energy: -16.140 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1157.011505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.011505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.011505 (E_RNA) where: Base-Base interactions energy: -806.528 where: short stacking energy: -308.003 Base-Backbone interact. energy: -1.777 local terms energy: -348.707212 where: bonds (distance) C4'-P energy: -62.141 bonds (distance) P-C4' energy: -71.337 flat angles C4'-P-C4' energy: -74.361 flat angles P-C4'-P energy: -51.307 tors. eta vs tors. theta energy: -89.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1080.417815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.417815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.417815 (E_RNA) where: Base-Base interactions energy: -750.751 where: short stacking energy: -298.353 Base-Backbone interact. energy: -0.796 local terms energy: -328.870729 where: bonds (distance) C4'-P energy: -54.632 bonds (distance) P-C4' energy: -59.715 flat angles C4'-P-C4' energy: -68.812 flat angles P-C4'-P energy: -49.117 tors. eta vs tors. theta energy: -96.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1069.916199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.916199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.916199 (E_RNA) where: Base-Base interactions energy: -744.561 where: short stacking energy: -312.584 Base-Backbone interact. energy: -2.295 local terms energy: -323.059861 where: bonds (distance) C4'-P energy: -58.708 bonds (distance) P-C4' energy: -64.746 flat angles C4'-P-C4' energy: -68.244 flat angles P-C4'-P energy: -43.679 tors. eta vs tors. theta energy: -87.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -949.434843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.434843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.434843 (E_RNA) where: Base-Base interactions energy: -646.712 where: short stacking energy: -257.117 Base-Backbone interact. energy: -2.140 local terms energy: -300.581995 where: bonds (distance) C4'-P energy: -62.206 bonds (distance) P-C4' energy: -56.247 flat angles C4'-P-C4' energy: -63.536 flat angles P-C4'-P energy: -41.647 tors. eta vs tors. theta energy: -76.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -930.824072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.824072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.824072 (E_RNA) where: Base-Base interactions energy: -634.104 where: short stacking energy: -288.402 Base-Backbone interact. energy: -0.178 local terms energy: -296.541807 where: bonds (distance) C4'-P energy: -57.380 bonds (distance) P-C4' energy: -59.610 flat angles C4'-P-C4' energy: -61.450 flat angles P-C4'-P energy: -33.718 tors. eta vs tors. theta energy: -84.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -766.792028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.792028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.792028 (E_RNA) where: Base-Base interactions energy: -487.831 where: short stacking energy: -214.637 Base-Backbone interact. energy: -1.995 local terms energy: -276.965376 where: bonds (distance) C4'-P energy: -63.491 bonds (distance) P-C4' energy: -58.345 flat angles C4'-P-C4' energy: -59.562 flat angles P-C4'-P energy: -41.056 tors. eta vs tors. theta energy: -54.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -662.114904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.114904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.114904 (E_RNA) where: Base-Base interactions energy: -409.881 where: short stacking energy: -189.040 Base-Backbone interact. energy: -1.558 local terms energy: -250.675922 where: bonds (distance) C4'-P energy: -58.893 bonds (distance) P-C4' energy: -49.748 flat angles C4'-P-C4' energy: -55.946 flat angles P-C4'-P energy: -36.048 tors. eta vs tors. theta energy: -50.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -482.012168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.012168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.012168 (E_RNA) where: Base-Base interactions energy: -272.742 where: short stacking energy: -154.411 Base-Backbone interact. energy: -0.988 local terms energy: -208.281805 where: bonds (distance) C4'-P energy: -48.915 bonds (distance) P-C4' energy: -46.981 flat angles C4'-P-C4' energy: -65.556 flat angles P-C4'-P energy: -26.238 tors. eta vs tors. theta energy: -20.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -444.229743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.229743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.229743 (E_RNA) where: Base-Base interactions energy: -233.826 where: short stacking energy: -129.443 Base-Backbone interact. energy: -0.013 local terms energy: -210.390330 where: bonds (distance) C4'-P energy: -47.288 bonds (distance) P-C4' energy: -52.624 flat angles C4'-P-C4' energy: -64.024 flat angles P-C4'-P energy: -30.797 tors. eta vs tors. theta energy: -15.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -273.493922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.493922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.493922 (E_RNA) where: Base-Base interactions energy: -106.079 where: short stacking energy: -62.623 Base-Backbone interact. energy: -0.629 local terms energy: -166.785773 where: bonds (distance) C4'-P energy: -51.943 bonds (distance) P-C4' energy: -63.882 flat angles C4'-P-C4' energy: -31.905 flat angles P-C4'-P energy: -29.900 tors. eta vs tors. theta energy: 10.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1155.532598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.532598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.532598 (E_RNA) where: Base-Base interactions energy: -820.978 where: short stacking energy: -321.754 Base-Backbone interact. energy: -0.067 local terms energy: -334.487980 where: bonds (distance) C4'-P energy: -60.577 bonds (distance) P-C4' energy: -66.577 flat angles C4'-P-C4' energy: -68.474 flat angles P-C4'-P energy: -47.393 tors. eta vs tors. theta energy: -91.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1091.355164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.355164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.355164 (E_RNA) where: Base-Base interactions energy: -766.401 where: short stacking energy: -312.071 Base-Backbone interact. energy: -2.035 local terms energy: -322.919050 where: bonds (distance) C4'-P energy: -58.172 bonds (distance) P-C4' energy: -64.022 flat angles C4'-P-C4' energy: -65.104 flat angles P-C4'-P energy: -45.795 tors. eta vs tors. theta energy: -89.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1059.145968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.145968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.145968 (E_RNA) where: Base-Base interactions energy: -739.074 where: short stacking energy: -302.378 Base-Backbone interact. energy: -2.561 local terms energy: -317.510386 where: bonds (distance) C4'-P energy: -58.699 bonds (distance) P-C4' energy: -60.462 flat angles C4'-P-C4' energy: -67.639 flat angles P-C4'-P energy: -49.623 tors. eta vs tors. theta energy: -81.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -962.558257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.558257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.558257 (E_RNA) where: Base-Base interactions energy: -657.920 where: short stacking energy: -286.301 Base-Backbone interact. energy: -0.711 local terms energy: -303.926790 where: bonds (distance) C4'-P energy: -55.765 bonds (distance) P-C4' energy: -60.823 flat angles C4'-P-C4' energy: -66.160 flat angles P-C4'-P energy: -47.170 tors. eta vs tors. theta energy: -74.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -897.409164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.409164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.409164 (E_RNA) where: Base-Base interactions energy: -606.299 where: short stacking energy: -266.604 Base-Backbone interact. energy: -1.682 local terms energy: -289.428856 where: bonds (distance) C4'-P energy: -45.253 bonds (distance) P-C4' energy: -64.523 flat angles C4'-P-C4' energy: -58.141 flat angles P-C4'-P energy: -43.893 tors. eta vs tors. theta energy: -77.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -790.915404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.915404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.915404 (E_RNA) where: Base-Base interactions energy: -509.264 where: short stacking energy: -228.030 Base-Backbone interact. energy: -0.732 local terms energy: -280.919085 where: bonds (distance) C4'-P energy: -58.449 bonds (distance) P-C4' energy: -55.756 flat angles C4'-P-C4' energy: -61.542 flat angles P-C4'-P energy: -43.547 tors. eta vs tors. theta energy: -61.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -695.201372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.201372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.201372 (E_RNA) where: Base-Base interactions energy: -432.169 where: short stacking energy: -229.851 Base-Backbone interact. energy: 1.588 local terms energy: -264.620312 where: bonds (distance) C4'-P energy: -34.759 bonds (distance) P-C4' energy: -63.319 flat angles C4'-P-C4' energy: -61.299 flat angles P-C4'-P energy: -42.843 tors. eta vs tors. theta energy: -62.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -506.307502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.307502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.307502 (E_RNA) where: Base-Base interactions energy: -295.653 where: short stacking energy: -147.510 Base-Backbone interact. energy: -0.199 local terms energy: -210.455480 where: bonds (distance) C4'-P energy: -48.983 bonds (distance) P-C4' energy: -50.739 flat angles C4'-P-C4' energy: -55.698 flat angles P-C4'-P energy: -32.366 tors. eta vs tors. theta energy: -22.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -400.308234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.308234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.308234 (E_RNA) where: Base-Base interactions energy: -212.082 where: short stacking energy: -113.562 Base-Backbone interact. energy: -2.798 local terms energy: -185.428437 where: bonds (distance) C4'-P energy: -56.178 bonds (distance) P-C4' energy: -48.990 flat angles C4'-P-C4' energy: -40.745 flat angles P-C4'-P energy: -30.604 tors. eta vs tors. theta energy: -8.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -316.142021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.142021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.142021 (E_RNA) where: Base-Base interactions energy: -130.697 where: short stacking energy: -98.979 Base-Backbone interact. energy: -0.378 local terms energy: -185.067121 where: bonds (distance) C4'-P energy: -63.675 bonds (distance) P-C4' energy: -56.755 flat angles C4'-P-C4' energy: -37.815 flat angles P-C4'-P energy: -20.448 tors. eta vs tors. theta energy: -6.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1157.801766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.801766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.801766 (E_RNA) where: Base-Base interactions energy: -816.044 where: short stacking energy: -305.208 Base-Backbone interact. energy: -1.558 local terms energy: -340.200097 where: bonds (distance) C4'-P energy: -68.771 bonds (distance) P-C4' energy: -60.378 flat angles C4'-P-C4' energy: -75.430 flat angles P-C4'-P energy: -47.759 tors. eta vs tors. theta energy: -87.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1104.434639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.434639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.434639 (E_RNA) where: Base-Base interactions energy: -774.678 where: short stacking energy: -308.229 Base-Backbone interact. energy: -1.257 local terms energy: -328.499221 where: bonds (distance) C4'-P energy: -55.854 bonds (distance) P-C4' energy: -64.966 flat angles C4'-P-C4' energy: -76.395 flat angles P-C4'-P energy: -40.457 tors. eta vs tors. theta energy: -90.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1066.821075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.821075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.821075 (E_RNA) where: Base-Base interactions energy: -754.248 where: short stacking energy: -297.651 Base-Backbone interact. energy: -0.736 local terms energy: -311.837540 where: bonds (distance) C4'-P energy: -48.333 bonds (distance) P-C4' energy: -63.500 flat angles C4'-P-C4' energy: -68.442 flat angles P-C4'-P energy: -44.632 tors. eta vs tors. theta energy: -86.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -958.293256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.293256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.293256 (E_RNA) where: Base-Base interactions energy: -650.710 where: short stacking energy: -285.690 Base-Backbone interact. energy: 2.704 local terms energy: -310.286903 where: bonds (distance) C4'-P energy: -62.258 bonds (distance) P-C4' energy: -61.701 flat angles C4'-P-C4' energy: -62.843 flat angles P-C4'-P energy: -46.703 tors. eta vs tors. theta energy: -76.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -932.899843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.899843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.899843 (E_RNA) where: Base-Base interactions energy: -621.295 where: short stacking energy: -264.024 Base-Backbone interact. energy: -0.967 local terms energy: -310.638080 where: bonds (distance) C4'-P energy: -64.875 bonds (distance) P-C4' energy: -55.328 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -38.338 tors. eta vs tors. theta energy: -81.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -828.675084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.675084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.675084 (E_RNA) where: Base-Base interactions energy: -537.090 where: short stacking energy: -241.032 Base-Backbone interact. energy: -0.695 local terms energy: -290.889221 where: bonds (distance) C4'-P energy: -66.045 bonds (distance) P-C4' energy: -62.148 flat angles C4'-P-C4' energy: -62.205 flat angles P-C4'-P energy: -43.735 tors. eta vs tors. theta energy: -56.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -706.939831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.939831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.939831 (E_RNA) where: Base-Base interactions energy: -475.696 where: short stacking energy: -224.022 Base-Backbone interact. energy: 1.985 local terms energy: -233.228768 where: bonds (distance) C4'-P energy: -34.100 bonds (distance) P-C4' energy: -44.904 flat angles C4'-P-C4' energy: -60.675 flat angles P-C4'-P energy: -41.324 tors. eta vs tors. theta energy: -52.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -501.562070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.562070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.562070 (E_RNA) where: Base-Base interactions energy: -298.092 where: short stacking energy: -163.575 Base-Backbone interact. energy: -0.424 local terms energy: -203.046511 where: bonds (distance) C4'-P energy: -45.251 bonds (distance) P-C4' energy: -45.893 flat angles C4'-P-C4' energy: -58.889 flat angles P-C4'-P energy: -24.868 tors. eta vs tors. theta energy: -28.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -444.642347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.642347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.642347 (E_RNA) where: Base-Base interactions energy: -265.004 where: short stacking energy: -134.661 Base-Backbone interact. energy: -0.591 local terms energy: -179.047873 where: bonds (distance) C4'-P energy: -49.853 bonds (distance) P-C4' energy: -46.031 flat angles C4'-P-C4' energy: -40.984 flat angles P-C4'-P energy: -35.866 tors. eta vs tors. theta energy: -6.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -268.741997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.741997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.741997 (E_RNA) where: Base-Base interactions energy: -111.569 where: short stacking energy: -106.342 Base-Backbone interact. energy: -0.703 local terms energy: -156.469788 where: bonds (distance) C4'-P energy: -42.295 bonds (distance) P-C4' energy: -48.826 flat angles C4'-P-C4' energy: -46.376 flat angles P-C4'-P energy: -17.726 tors. eta vs tors. theta energy: -1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1171.610237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.610237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.610237 (E_RNA) where: Base-Base interactions energy: -813.410 where: short stacking energy: -316.445 Base-Backbone interact. energy: -1.718 local terms energy: -356.482179 where: bonds (distance) C4'-P energy: -72.843 bonds (distance) P-C4' energy: -66.383 flat angles C4'-P-C4' energy: -76.617 flat angles P-C4'-P energy: -50.719 tors. eta vs tors. theta energy: -89.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1102.024998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.024998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.024998 (E_RNA) where: Base-Base interactions energy: -756.599 where: short stacking energy: -308.477 Base-Backbone interact. energy: -1.196 local terms energy: -344.230199 where: bonds (distance) C4'-P energy: -72.701 bonds (distance) P-C4' energy: -69.777 flat angles C4'-P-C4' energy: -70.549 flat angles P-C4'-P energy: -42.309 tors. eta vs tors. theta energy: -88.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1081.796807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.796807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.796807 (E_RNA) where: Base-Base interactions energy: -752.745 where: short stacking energy: -319.815 Base-Backbone interact. energy: 0.091 local terms energy: -329.143583 where: bonds (distance) C4'-P energy: -59.440 bonds (distance) P-C4' energy: -64.665 flat angles C4'-P-C4' energy: -76.245 flat angles P-C4'-P energy: -46.236 tors. eta vs tors. theta energy: -82.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -963.850491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.850491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.850491 (E_RNA) where: Base-Base interactions energy: -660.771 where: short stacking energy: -300.285 Base-Backbone interact. energy: -0.032 local terms energy: -303.047472 where: bonds (distance) C4'-P energy: -52.513 bonds (distance) P-C4' energy: -53.134 flat angles C4'-P-C4' energy: -67.560 flat angles P-C4'-P energy: -39.312 tors. eta vs tors. theta energy: -90.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -919.515463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.515463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.515463 (E_RNA) where: Base-Base interactions energy: -612.874 where: short stacking energy: -263.078 Base-Backbone interact. energy: -0.092 local terms energy: -306.549551 where: bonds (distance) C4'-P energy: -60.811 bonds (distance) P-C4' energy: -57.154 flat angles C4'-P-C4' energy: -67.937 flat angles P-C4'-P energy: -42.399 tors. eta vs tors. theta energy: -78.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -788.937253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.937253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.937253 (E_RNA) where: Base-Base interactions energy: -506.164 where: short stacking energy: -250.090 Base-Backbone interact. energy: -2.052 local terms energy: -280.721080 where: bonds (distance) C4'-P energy: -40.777 bonds (distance) P-C4' energy: -72.409 flat angles C4'-P-C4' energy: -63.909 flat angles P-C4'-P energy: -38.171 tors. eta vs tors. theta energy: -65.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -761.715602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.715602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.715602 (E_RNA) where: Base-Base interactions energy: -494.354 where: short stacking energy: -234.712 Base-Backbone interact. energy: -0.590 local terms energy: -266.771723 where: bonds (distance) C4'-P energy: -51.637 bonds (distance) P-C4' energy: -49.304 flat angles C4'-P-C4' energy: -62.461 flat angles P-C4'-P energy: -29.730 tors. eta vs tors. theta energy: -73.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -562.859590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.859590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.859590 (E_RNA) where: Base-Base interactions energy: -332.867 where: short stacking energy: -178.857 Base-Backbone interact. energy: -1.220 local terms energy: -228.772354 where: bonds (distance) C4'-P energy: -50.995 bonds (distance) P-C4' energy: -63.654 flat angles C4'-P-C4' energy: -52.886 flat angles P-C4'-P energy: -30.717 tors. eta vs tors. theta energy: -30.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -454.232456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.232456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.232456 (E_RNA) where: Base-Base interactions energy: -232.085 where: short stacking energy: -122.636 Base-Backbone interact. energy: -1.009 local terms energy: -221.138001 where: bonds (distance) C4'-P energy: -48.522 bonds (distance) P-C4' energy: -56.875 flat angles C4'-P-C4' energy: -60.350 flat angles P-C4'-P energy: -32.854 tors. eta vs tors. theta energy: -22.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -271.690418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.690418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.690418 (E_RNA) where: Base-Base interactions energy: -110.419 where: short stacking energy: -77.631 Base-Backbone interact. energy: 0.457 local terms energy: -161.728045 where: bonds (distance) C4'-P energy: -26.808 bonds (distance) P-C4' energy: -67.362 flat angles C4'-P-C4' energy: -50.405 flat angles P-C4'-P energy: -32.617 tors. eta vs tors. theta energy: 15.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1142.045891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.045891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.045891 (E_RNA) where: Base-Base interactions energy: -799.072 where: short stacking energy: -303.582 Base-Backbone interact. energy: -0.537 local terms energy: -342.436089 where: bonds (distance) C4'-P energy: -70.135 bonds (distance) P-C4' energy: -61.186 flat angles C4'-P-C4' energy: -72.169 flat angles P-C4'-P energy: -45.505 tors. eta vs tors. theta energy: -93.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1102.179949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.179949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.179949 (E_RNA) where: Base-Base interactions energy: -761.269 where: short stacking energy: -308.671 Base-Backbone interact. energy: -0.782 local terms energy: -340.128688 where: bonds (distance) C4'-P energy: -71.980 bonds (distance) P-C4' energy: -65.687 flat angles C4'-P-C4' energy: -68.467 flat angles P-C4'-P energy: -43.707 tors. eta vs tors. theta energy: -90.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1085.048376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.048376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.048376 (E_RNA) where: Base-Base interactions energy: -751.386 where: short stacking energy: -321.063 Base-Backbone interact. energy: -2.507 local terms energy: -331.154725 where: bonds (distance) C4'-P energy: -55.374 bonds (distance) P-C4' energy: -68.916 flat angles C4'-P-C4' energy: -70.639 flat angles P-C4'-P energy: -43.724 tors. eta vs tors. theta energy: -92.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -980.085841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.085841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.085841 (E_RNA) where: Base-Base interactions energy: -653.401 where: short stacking energy: -295.610 Base-Backbone interact. energy: -3.156 local terms energy: -323.529048 where: bonds (distance) C4'-P energy: -56.159 bonds (distance) P-C4' energy: -58.898 flat angles C4'-P-C4' energy: -68.470 flat angles P-C4'-P energy: -47.124 tors. eta vs tors. theta energy: -92.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -930.382257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.382257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.382257 (E_RNA) where: Base-Base interactions energy: -627.020 where: short stacking energy: -260.718 Base-Backbone interact. energy: 0.034 local terms energy: -303.396774 where: bonds (distance) C4'-P energy: -51.426 bonds (distance) P-C4' energy: -64.060 flat angles C4'-P-C4' energy: -69.301 flat angles P-C4'-P energy: -40.885 tors. eta vs tors. theta energy: -77.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -778.821750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.821750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.821750 (E_RNA) where: Base-Base interactions energy: -489.635 where: short stacking energy: -219.002 Base-Backbone interact. energy: 0.334 local terms energy: -289.520844 where: bonds (distance) C4'-P energy: -62.339 bonds (distance) P-C4' energy: -67.245 flat angles C4'-P-C4' energy: -60.628 flat angles P-C4'-P energy: -47.317 tors. eta vs tors. theta energy: -51.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -806.071930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.071930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.071930 (E_RNA) where: Base-Base interactions energy: -532.817 where: short stacking energy: -237.290 Base-Backbone interact. energy: -0.714 local terms energy: -272.541605 where: bonds (distance) C4'-P energy: -49.957 bonds (distance) P-C4' energy: -60.111 flat angles C4'-P-C4' energy: -60.553 flat angles P-C4'-P energy: -42.721 tors. eta vs tors. theta energy: -59.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -559.721454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.721454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.721454 (E_RNA) where: Base-Base interactions energy: -318.807 where: short stacking energy: -173.210 Base-Backbone interact. energy: -0.471 local terms energy: -240.444248 where: bonds (distance) C4'-P energy: -50.939 bonds (distance) P-C4' energy: -58.782 flat angles C4'-P-C4' energy: -50.485 flat angles P-C4'-P energy: -29.090 tors. eta vs tors. theta energy: -51.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -430.583797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.583797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.583797 (E_RNA) where: Base-Base interactions energy: -218.155 where: short stacking energy: -126.169 Base-Backbone interact. energy: -0.108 local terms energy: -212.319951 where: bonds (distance) C4'-P energy: -57.017 bonds (distance) P-C4' energy: -56.083 flat angles C4'-P-C4' energy: -58.768 flat angles P-C4'-P energy: -22.324 tors. eta vs tors. theta energy: -18.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -268.755554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.755554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.755554 (E_RNA) where: Base-Base interactions energy: -122.666 where: short stacking energy: -77.303 Base-Backbone interact. energy: 1.122 local terms energy: -147.210996 where: bonds (distance) C4'-P energy: -46.636 bonds (distance) P-C4' energy: -63.409 flat angles C4'-P-C4' energy: -31.359 flat angles P-C4'-P energy: -13.518 tors. eta vs tors. theta energy: 7.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1147.789364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.789364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.789364 (E_RNA) where: Base-Base interactions energy: -823.383 where: short stacking energy: -307.902 Base-Backbone interact. energy: 1.652 local terms energy: -326.058110 where: bonds (distance) C4'-P energy: -64.280 bonds (distance) P-C4' energy: -53.710 flat angles C4'-P-C4' energy: -70.618 flat angles P-C4'-P energy: -49.061 tors. eta vs tors. theta energy: -88.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1079.235293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.235293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.235293 (E_RNA) where: Base-Base interactions energy: -749.613 where: short stacking energy: -309.640 Base-Backbone interact. energy: -3.266 local terms energy: -326.355817 where: bonds (distance) C4'-P energy: -58.958 bonds (distance) P-C4' energy: -72.666 flat angles C4'-P-C4' energy: -65.622 flat angles P-C4'-P energy: -40.269 tors. eta vs tors. theta energy: -88.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1068.129562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.129562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.129562 (E_RNA) where: Base-Base interactions energy: -736.562 where: short stacking energy: -310.871 Base-Backbone interact. energy: -1.823 local terms energy: -329.744077 where: bonds (distance) C4'-P energy: -66.002 bonds (distance) P-C4' energy: -56.347 flat angles C4'-P-C4' energy: -70.633 flat angles P-C4'-P energy: -45.309 tors. eta vs tors. theta energy: -91.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -991.273630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.273630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.273630 (E_RNA) where: Base-Base interactions energy: -684.325 where: short stacking energy: -301.168 Base-Backbone interact. energy: -0.392 local terms energy: -306.556221 where: bonds (distance) C4'-P energy: -54.453 bonds (distance) P-C4' energy: -56.306 flat angles C4'-P-C4' energy: -64.622 flat angles P-C4'-P energy: -42.308 tors. eta vs tors. theta energy: -88.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -954.077255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.077255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.077255 (E_RNA) where: Base-Base interactions energy: -627.487 where: short stacking energy: -267.052 Base-Backbone interact. energy: -0.306 local terms energy: -326.284293 where: bonds (distance) C4'-P energy: -66.024 bonds (distance) P-C4' energy: -68.665 flat angles C4'-P-C4' energy: -63.690 flat angles P-C4'-P energy: -47.569 tors. eta vs tors. theta energy: -80.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -791.797041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.797041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.797041 (E_RNA) where: Base-Base interactions energy: -510.966 where: short stacking energy: -238.085 Base-Backbone interact. energy: -0.761 local terms energy: -280.069296 where: bonds (distance) C4'-P energy: -56.194 bonds (distance) P-C4' energy: -55.001 flat angles C4'-P-C4' energy: -60.163 flat angles P-C4'-P energy: -37.244 tors. eta vs tors. theta energy: -71.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -755.179420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.179420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.179420 (E_RNA) where: Base-Base interactions energy: -507.743 where: short stacking energy: -212.294 Base-Backbone interact. energy: 0.391 local terms energy: -247.827729 where: bonds (distance) C4'-P energy: -50.351 bonds (distance) P-C4' energy: -59.374 flat angles C4'-P-C4' energy: -54.667 flat angles P-C4'-P energy: -31.529 tors. eta vs tors. theta energy: -51.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -558.931650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.931650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.931650 (E_RNA) where: Base-Base interactions energy: -314.144 where: short stacking energy: -165.083 Base-Backbone interact. energy: 0.496 local terms energy: -245.283283 where: bonds (distance) C4'-P energy: -50.388 bonds (distance) P-C4' energy: -57.426 flat angles C4'-P-C4' energy: -59.078 flat angles P-C4'-P energy: -40.738 tors. eta vs tors. theta energy: -37.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -451.157459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.157459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.157459 (E_RNA) where: Base-Base interactions energy: -248.764 where: short stacking energy: -117.098 Base-Backbone interact. energy: -1.301 local terms energy: -201.092542 where: bonds (distance) C4'-P energy: -63.105 bonds (distance) P-C4' energy: -64.117 flat angles C4'-P-C4' energy: -37.094 flat angles P-C4'-P energy: -28.084 tors. eta vs tors. theta energy: -8.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -304.378748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.378748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.378748 (E_RNA) where: Base-Base interactions energy: -132.649 where: short stacking energy: -118.542 Base-Backbone interact. energy: -1.878 local terms energy: -169.852358 where: bonds (distance) C4'-P energy: -44.746 bonds (distance) P-C4' energy: -49.015 flat angles C4'-P-C4' energy: -47.240 flat angles P-C4'-P energy: -22.047 tors. eta vs tors. theta energy: -6.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1144.033508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.033508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.033508 (E_RNA) where: Base-Base interactions energy: -804.394 where: short stacking energy: -309.616 Base-Backbone interact. energy: 1.530 local terms energy: -341.169875 where: bonds (distance) C4'-P energy: -73.813 bonds (distance) P-C4' energy: -56.061 flat angles C4'-P-C4' energy: -80.047 flat angles P-C4'-P energy: -46.895 tors. eta vs tors. theta energy: -84.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1087.759137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.759137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.759137 (E_RNA) where: Base-Base interactions energy: -757.835 where: short stacking energy: -304.065 Base-Backbone interact. energy: -2.683 local terms energy: -327.241369 where: bonds (distance) C4'-P energy: -56.218 bonds (distance) P-C4' energy: -70.342 flat angles C4'-P-C4' energy: -68.095 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: -89.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1066.541117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.541117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.541117 (E_RNA) where: Base-Base interactions energy: -738.800 where: short stacking energy: -316.624 Base-Backbone interact. energy: -3.065 local terms energy: -324.675711 where: bonds (distance) C4'-P energy: -60.191 bonds (distance) P-C4' energy: -50.996 flat angles C4'-P-C4' energy: -67.945 flat angles P-C4'-P energy: -54.397 tors. eta vs tors. theta energy: -91.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -973.423415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.423415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.423415 (E_RNA) where: Base-Base interactions energy: -637.611 where: short stacking energy: -288.911 Base-Backbone interact. energy: -1.474 local terms energy: -334.338258 where: bonds (distance) C4'-P energy: -64.639 bonds (distance) P-C4' energy: -66.126 flat angles C4'-P-C4' energy: -71.355 flat angles P-C4'-P energy: -40.635 tors. eta vs tors. theta energy: -91.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -932.666824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.666824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.666824 (E_RNA) where: Base-Base interactions energy: -627.457 where: short stacking energy: -270.675 Base-Backbone interact. energy: -1.533 local terms energy: -303.676528 where: bonds (distance) C4'-P energy: -60.770 bonds (distance) P-C4' energy: -62.389 flat angles C4'-P-C4' energy: -58.711 flat angles P-C4'-P energy: -51.019 tors. eta vs tors. theta energy: -70.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -801.458824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.458824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.458824 (E_RNA) where: Base-Base interactions energy: -524.298 where: short stacking energy: -250.438 Base-Backbone interact. energy: -1.598 local terms energy: -275.563091 where: bonds (distance) C4'-P energy: -59.570 bonds (distance) P-C4' energy: -58.639 flat angles C4'-P-C4' energy: -60.399 flat angles P-C4'-P energy: -33.846 tors. eta vs tors. theta energy: -63.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -811.166125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.166125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.166125 (E_RNA) where: Base-Base interactions energy: -535.519 where: short stacking energy: -224.933 Base-Backbone interact. energy: -0.115 local terms energy: -275.531516 where: bonds (distance) C4'-P energy: -50.108 bonds (distance) P-C4' energy: -63.186 flat angles C4'-P-C4' energy: -58.108 flat angles P-C4'-P energy: -43.202 tors. eta vs tors. theta energy: -60.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -475.997546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.997546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.997546 (E_RNA) where: Base-Base interactions energy: -258.393 where: short stacking energy: -143.625 Base-Backbone interact. energy: -1.392 local terms energy: -216.211956 where: bonds (distance) C4'-P energy: -47.966 bonds (distance) P-C4' energy: -49.657 flat angles C4'-P-C4' energy: -62.018 flat angles P-C4'-P energy: -39.125 tors. eta vs tors. theta energy: -17.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -540.890908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.890908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.890908 (E_RNA) where: Base-Base interactions energy: -293.156 where: short stacking energy: -140.732 Base-Backbone interact. energy: -0.523 local terms energy: -247.212418 where: bonds (distance) C4'-P energy: -62.912 bonds (distance) P-C4' energy: -58.808 flat angles C4'-P-C4' energy: -49.665 flat angles P-C4'-P energy: -42.597 tors. eta vs tors. theta energy: -33.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -280.845528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.845528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.845528 (E_RNA) where: Base-Base interactions energy: -105.218 where: short stacking energy: -90.235 Base-Backbone interact. energy: 3.884 local terms energy: -179.511228 where: bonds (distance) C4'-P energy: -57.967 bonds (distance) P-C4' energy: -47.493 flat angles C4'-P-C4' energy: -55.611 flat angles P-C4'-P energy: -23.630 tors. eta vs tors. theta energy: 5.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1146.821561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.821561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.821561 (E_RNA) where: Base-Base interactions energy: -821.392 where: short stacking energy: -301.165 Base-Backbone interact. energy: 3.324 local terms energy: -328.753243 where: bonds (distance) C4'-P energy: -61.443 bonds (distance) P-C4' energy: -66.088 flat angles C4'-P-C4' energy: -67.686 flat angles P-C4'-P energy: -49.627 tors. eta vs tors. theta energy: -83.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1085.432853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.432853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.432853 (E_RNA) where: Base-Base interactions energy: -749.882 where: short stacking energy: -304.302 Base-Backbone interact. energy: 0.055 local terms energy: -335.605642 where: bonds (distance) C4'-P energy: -70.060 bonds (distance) P-C4' energy: -59.786 flat angles C4'-P-C4' energy: -63.199 flat angles P-C4'-P energy: -49.686 tors. eta vs tors. theta energy: -92.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1052.392481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.392481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.392481 (E_RNA) where: Base-Base interactions energy: -724.760 where: short stacking energy: -290.879 Base-Backbone interact. energy: -1.712 local terms energy: -325.920322 where: bonds (distance) C4'-P energy: -51.052 bonds (distance) P-C4' energy: -70.895 flat angles C4'-P-C4' energy: -68.120 flat angles P-C4'-P energy: -47.868 tors. eta vs tors. theta energy: -87.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -972.297719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.297719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.297719 (E_RNA) where: Base-Base interactions energy: -659.206 where: short stacking energy: -296.739 Base-Backbone interact. energy: -1.428 local terms energy: -311.663495 where: bonds (distance) C4'-P energy: -60.753 bonds (distance) P-C4' energy: -57.236 flat angles C4'-P-C4' energy: -63.298 flat angles P-C4'-P energy: -43.837 tors. eta vs tors. theta energy: -86.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -931.671482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.671482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.671482 (E_RNA) where: Base-Base interactions energy: -637.728 where: short stacking energy: -245.949 Base-Backbone interact. energy: -0.902 local terms energy: -293.041171 where: bonds (distance) C4'-P energy: -50.962 bonds (distance) P-C4' energy: -67.762 flat angles C4'-P-C4' energy: -68.434 flat angles P-C4'-P energy: -37.559 tors. eta vs tors. theta energy: -68.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -780.825020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.825020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.825020 (E_RNA) where: Base-Base interactions energy: -484.015 where: short stacking energy: -229.956 Base-Backbone interact. energy: 1.408 local terms energy: -298.218042 where: bonds (distance) C4'-P energy: -70.260 bonds (distance) P-C4' energy: -60.609 flat angles C4'-P-C4' energy: -74.303 flat angles P-C4'-P energy: -36.768 tors. eta vs tors. theta energy: -56.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -845.762745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.762745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.762745 (E_RNA) where: Base-Base interactions energy: -570.309 where: short stacking energy: -243.534 Base-Backbone interact. energy: -1.290 local terms energy: -274.164460 where: bonds (distance) C4'-P energy: -59.347 bonds (distance) P-C4' energy: -55.826 flat angles C4'-P-C4' energy: -58.325 flat angles P-C4'-P energy: -37.321 tors. eta vs tors. theta energy: -63.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -483.291583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.291583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.291583 (E_RNA) where: Base-Base interactions energy: -269.532 where: short stacking energy: -156.147 Base-Backbone interact. energy: 0.954 local terms energy: -214.712956 where: bonds (distance) C4'-P energy: -37.884 bonds (distance) P-C4' energy: -55.012 flat angles C4'-P-C4' energy: -56.187 flat angles P-C4'-P energy: -31.949 tors. eta vs tors. theta energy: -33.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -518.502881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.502881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.502881 (E_RNA) where: Base-Base interactions energy: -296.513 where: short stacking energy: -144.011 Base-Backbone interact. energy: -0.350 local terms energy: -221.639552 where: bonds (distance) C4'-P energy: -54.647 bonds (distance) P-C4' energy: -60.276 flat angles C4'-P-C4' energy: -56.075 flat angles P-C4'-P energy: -30.902 tors. eta vs tors. theta energy: -19.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -299.117207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.117207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.117207 (E_RNA) where: Base-Base interactions energy: -93.537 where: short stacking energy: -75.898 Base-Backbone interact. energy: -0.728 local terms energy: -204.852321 where: bonds (distance) C4'-P energy: -51.872 bonds (distance) P-C4' energy: -66.537 flat angles C4'-P-C4' energy: -55.124 flat angles P-C4'-P energy: -32.955 tors. eta vs tors. theta energy: 1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1154.404151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.404151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.404151 (E_RNA) where: Base-Base interactions energy: -813.879 where: short stacking energy: -307.603 Base-Backbone interact. energy: 0.439 local terms energy: -340.963328 where: bonds (distance) C4'-P energy: -64.979 bonds (distance) P-C4' energy: -65.042 flat angles C4'-P-C4' energy: -77.025 flat angles P-C4'-P energy: -45.720 tors. eta vs tors. theta energy: -88.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1093.461911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.461911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.461911 (E_RNA) where: Base-Base interactions energy: -768.060 where: short stacking energy: -309.948 Base-Backbone interact. energy: -0.574 local terms energy: -324.828027 where: bonds (distance) C4'-P energy: -60.831 bonds (distance) P-C4' energy: -71.251 flat angles C4'-P-C4' energy: -57.911 flat angles P-C4'-P energy: -50.975 tors. eta vs tors. theta energy: -83.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1066.449789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.449789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.449789 (E_RNA) where: Base-Base interactions energy: -746.421 where: short stacking energy: -303.666 Base-Backbone interact. energy: -1.327 local terms energy: -318.702200 where: bonds (distance) C4'-P energy: -59.737 bonds (distance) P-C4' energy: -53.639 flat angles C4'-P-C4' energy: -67.417 flat angles P-C4'-P energy: -45.750 tors. eta vs tors. theta energy: -92.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -951.084343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.084343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.084343 (E_RNA) where: Base-Base interactions energy: -641.529 where: short stacking energy: -281.563 Base-Backbone interact. energy: -0.449 local terms energy: -309.106268 where: bonds (distance) C4'-P energy: -63.635 bonds (distance) P-C4' energy: -63.721 flat angles C4'-P-C4' energy: -64.398 flat angles P-C4'-P energy: -41.723 tors. eta vs tors. theta energy: -75.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -895.960348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.960348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.960348 (E_RNA) where: Base-Base interactions energy: -594.447 where: short stacking energy: -231.255 Base-Backbone interact. energy: -2.233 local terms energy: -299.280379 where: bonds (distance) C4'-P energy: -59.683 bonds (distance) P-C4' energy: -59.221 flat angles C4'-P-C4' energy: -60.812 flat angles P-C4'-P energy: -45.668 tors. eta vs tors. theta energy: -73.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -826.231487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.231487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.231487 (E_RNA) where: Base-Base interactions energy: -553.126 where: short stacking energy: -245.324 Base-Backbone interact. energy: -0.497 local terms energy: -272.608669 where: bonds (distance) C4'-P energy: -62.468 bonds (distance) P-C4' energy: -48.822 flat angles C4'-P-C4' energy: -62.582 flat angles P-C4'-P energy: -31.126 tors. eta vs tors. theta energy: -67.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -782.693518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.693518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.693518 (E_RNA) where: Base-Base interactions energy: -505.939 where: short stacking energy: -224.330 Base-Backbone interact. energy: -2.823 local terms energy: -273.931363 where: bonds (distance) C4'-P energy: -52.590 bonds (distance) P-C4' energy: -68.531 flat angles C4'-P-C4' energy: -61.324 flat angles P-C4'-P energy: -29.703 tors. eta vs tors. theta energy: -61.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -511.486344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.486344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.486344 (E_RNA) where: Base-Base interactions energy: -275.426 where: short stacking energy: -127.954 Base-Backbone interact. energy: 1.810 local terms energy: -237.870217 where: bonds (distance) C4'-P energy: -54.510 bonds (distance) P-C4' energy: -54.066 flat angles C4'-P-C4' energy: -58.385 flat angles P-C4'-P energy: -43.145 tors. eta vs tors. theta energy: -27.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -460.566281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.566281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.566281 (E_RNA) where: Base-Base interactions energy: -274.197 where: short stacking energy: -154.870 Base-Backbone interact. energy: -1.231 local terms energy: -185.138665 where: bonds (distance) C4'-P energy: -40.576 bonds (distance) P-C4' energy: -51.866 flat angles C4'-P-C4' energy: -44.972 flat angles P-C4'-P energy: -23.554 tors. eta vs tors. theta energy: -24.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -261.059530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.059530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.059530 (E_RNA) where: Base-Base interactions energy: -90.793 where: short stacking energy: -75.109 Base-Backbone interact. energy: 1.034 local terms energy: -171.301368 where: bonds (distance) C4'-P energy: -41.460 bonds (distance) P-C4' energy: -59.901 flat angles C4'-P-C4' energy: -39.738 flat angles P-C4'-P energy: -38.366 tors. eta vs tors. theta energy: 8.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1156.022683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.022683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.022683 (E_RNA) where: Base-Base interactions energy: -814.457 where: short stacking energy: -303.542 Base-Backbone interact. energy: -0.691 local terms energy: -340.875124 where: bonds (distance) C4'-P energy: -69.444 bonds (distance) P-C4' energy: -60.998 flat angles C4'-P-C4' energy: -73.255 flat angles P-C4'-P energy: -45.587 tors. eta vs tors. theta energy: -91.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1086.970708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.970708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.970708 (E_RNA) where: Base-Base interactions energy: -759.873 where: short stacking energy: -308.361 Base-Backbone interact. energy: -1.071 local terms energy: -326.027642 where: bonds (distance) C4'-P energy: -58.056 bonds (distance) P-C4' energy: -58.142 flat angles C4'-P-C4' energy: -68.154 flat angles P-C4'-P energy: -51.269 tors. eta vs tors. theta energy: -90.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1038.415036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.415036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.415036 (E_RNA) where: Base-Base interactions energy: -731.148 where: short stacking energy: -299.149 Base-Backbone interact. energy: -0.807 local terms energy: -306.460218 where: bonds (distance) C4'-P energy: -57.275 bonds (distance) P-C4' energy: -58.881 flat angles C4'-P-C4' energy: -66.558 flat angles P-C4'-P energy: -43.389 tors. eta vs tors. theta energy: -80.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -963.218180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.218180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.218180 (E_RNA) where: Base-Base interactions energy: -657.840 where: short stacking energy: -293.906 Base-Backbone interact. energy: -2.440 local terms energy: -302.937836 where: bonds (distance) C4'-P energy: -54.174 bonds (distance) P-C4' energy: -61.649 flat angles C4'-P-C4' energy: -64.842 flat angles P-C4'-P energy: -30.852 tors. eta vs tors. theta energy: -91.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -913.995511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.995511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.995511 (E_RNA) where: Base-Base interactions energy: -621.717 where: short stacking energy: -253.354 Base-Backbone interact. energy: -1.947 local terms energy: -290.330572 where: bonds (distance) C4'-P energy: -54.286 bonds (distance) P-C4' energy: -57.300 flat angles C4'-P-C4' energy: -67.357 flat angles P-C4'-P energy: -39.231 tors. eta vs tors. theta energy: -72.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -807.812445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.812445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.812445 (E_RNA) where: Base-Base interactions energy: -528.854 where: short stacking energy: -241.967 Base-Backbone interact. energy: 1.144 local terms energy: -280.102942 where: bonds (distance) C4'-P energy: -63.750 bonds (distance) P-C4' energy: -51.516 flat angles C4'-P-C4' energy: -54.230 flat angles P-C4'-P energy: -40.630 tors. eta vs tors. theta energy: -69.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -772.481180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.481180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.481180 (E_RNA) where: Base-Base interactions energy: -507.967 where: short stacking energy: -248.019 Base-Backbone interact. energy: 0.132 local terms energy: -264.645739 where: bonds (distance) C4'-P energy: -53.083 bonds (distance) P-C4' energy: -58.098 flat angles C4'-P-C4' energy: -49.756 flat angles P-C4'-P energy: -35.237 tors. eta vs tors. theta energy: -68.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -530.818455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.818455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.818455 (E_RNA) where: Base-Base interactions energy: -314.719 where: short stacking energy: -176.312 Base-Backbone interact. energy: 0.169 local terms energy: -216.268071 where: bonds (distance) C4'-P energy: -49.571 bonds (distance) P-C4' energy: -54.337 flat angles C4'-P-C4' energy: -48.335 flat angles P-C4'-P energy: -26.828 tors. eta vs tors. theta energy: -37.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -453.273121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.273121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.273121 (E_RNA) where: Base-Base interactions energy: -235.433 where: short stacking energy: -148.006 Base-Backbone interact. energy: -1.107 local terms energy: -216.733613 where: bonds (distance) C4'-P energy: -45.793 bonds (distance) P-C4' energy: -52.541 flat angles C4'-P-C4' energy: -60.117 flat angles P-C4'-P energy: -34.965 tors. eta vs tors. theta energy: -23.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -271.447413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.447413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.447413 (E_RNA) where: Base-Base interactions energy: -96.464 where: short stacking energy: -86.104 Base-Backbone interact. energy: 0.476 local terms energy: -175.459355 where: bonds (distance) C4'-P energy: -51.324 bonds (distance) P-C4' energy: -55.273 flat angles C4'-P-C4' energy: -43.584 flat angles P-C4'-P energy: -31.142 tors. eta vs tors. theta energy: 5.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1142.414215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.414215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.414215 (E_RNA) where: Base-Base interactions energy: -811.613 where: short stacking energy: -318.809 Base-Backbone interact. energy: 0.067 local terms energy: -330.868368 where: bonds (distance) C4'-P energy: -61.364 bonds (distance) P-C4' energy: -65.192 flat angles C4'-P-C4' energy: -70.647 flat angles P-C4'-P energy: -49.208 tors. eta vs tors. theta energy: -84.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1090.398423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.398423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.398423 (E_RNA) where: Base-Base interactions energy: -754.806 where: short stacking energy: -303.792 Base-Backbone interact. energy: -2.741 local terms energy: -332.852144 where: bonds (distance) C4'-P energy: -62.174 bonds (distance) P-C4' energy: -56.520 flat angles C4'-P-C4' energy: -74.588 flat angles P-C4'-P energy: -51.155 tors. eta vs tors. theta energy: -88.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1037.855941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.855941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.855941 (E_RNA) where: Base-Base interactions energy: -720.038 where: short stacking energy: -312.108 Base-Backbone interact. energy: 0.119 local terms energy: -317.937093 where: bonds (distance) C4'-P energy: -54.854 bonds (distance) P-C4' energy: -56.589 flat angles C4'-P-C4' energy: -69.837 flat angles P-C4'-P energy: -44.097 tors. eta vs tors. theta energy: -92.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -959.729900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.729900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.729900 (E_RNA) where: Base-Base interactions energy: -634.078 where: short stacking energy: -307.323 Base-Backbone interact. energy: 0.046 local terms energy: -325.697637 where: bonds (distance) C4'-P energy: -67.989 bonds (distance) P-C4' energy: -59.983 flat angles C4'-P-C4' energy: -65.979 flat angles P-C4'-P energy: -42.299 tors. eta vs tors. theta energy: -89.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -905.520419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.520419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.520419 (E_RNA) where: Base-Base interactions energy: -593.401 where: short stacking energy: -255.417 Base-Backbone interact. energy: 1.450 local terms energy: -313.570143 where: bonds (distance) C4'-P energy: -52.015 bonds (distance) P-C4' energy: -65.864 flat angles C4'-P-C4' energy: -68.744 flat angles P-C4'-P energy: -48.577 tors. eta vs tors. theta energy: -78.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -828.279367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.279367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.279367 (E_RNA) where: Base-Base interactions energy: -540.294 where: short stacking energy: -234.653 Base-Backbone interact. energy: -2.054 local terms energy: -285.931975 where: bonds (distance) C4'-P energy: -60.212 bonds (distance) P-C4' energy: -63.611 flat angles C4'-P-C4' energy: -59.558 flat angles P-C4'-P energy: -37.073 tors. eta vs tors. theta energy: -65.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -770.452240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.452240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.452240 (E_RNA) where: Base-Base interactions energy: -493.525 where: short stacking energy: -229.235 Base-Backbone interact. energy: 0.363 local terms energy: -277.290190 where: bonds (distance) C4'-P energy: -51.015 bonds (distance) P-C4' energy: -59.854 flat angles C4'-P-C4' energy: -74.162 flat angles P-C4'-P energy: -35.147 tors. eta vs tors. theta energy: -57.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -486.803842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.803842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.803842 (E_RNA) where: Base-Base interactions energy: -299.390 where: short stacking energy: -144.374 Base-Backbone interact. energy: 3.730 local terms energy: -191.144281 where: bonds (distance) C4'-P energy: -58.316 bonds (distance) P-C4' energy: -50.082 flat angles C4'-P-C4' energy: -46.440 flat angles P-C4'-P energy: -23.367 tors. eta vs tors. theta energy: -12.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -483.860233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.860233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.860233 (E_RNA) where: Base-Base interactions energy: -266.504 where: short stacking energy: -138.100 Base-Backbone interact. energy: 1.025 local terms energy: -218.381218 where: bonds (distance) C4'-P energy: -58.413 bonds (distance) P-C4' energy: -59.485 flat angles C4'-P-C4' energy: -48.571 flat angles P-C4'-P energy: -21.514 tors. eta vs tors. theta energy: -30.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -309.008018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.008018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.008018 (E_RNA) where: Base-Base interactions energy: -144.655 where: short stacking energy: -93.322 Base-Backbone interact. energy: 1.109 local terms energy: -165.461916 where: bonds (distance) C4'-P energy: -51.896 bonds (distance) P-C4' energy: -51.765 flat angles C4'-P-C4' energy: -44.322 flat angles P-C4'-P energy: -16.395 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1175.136829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.136829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.136829 (E_RNA) where: Base-Base interactions energy: -832.250 where: short stacking energy: -319.587 Base-Backbone interact. energy: -0.757 local terms energy: -342.129110 where: bonds (distance) C4'-P energy: -70.646 bonds (distance) P-C4' energy: -67.946 flat angles C4'-P-C4' energy: -70.002 flat angles P-C4'-P energy: -47.720 tors. eta vs tors. theta energy: -85.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1087.453952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.453952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.453952 (E_RNA) where: Base-Base interactions energy: -757.749 where: short stacking energy: -311.022 Base-Backbone interact. energy: 0.362 local terms energy: -330.067321 where: bonds (distance) C4'-P energy: -56.126 bonds (distance) P-C4' energy: -67.535 flat angles C4'-P-C4' energy: -64.593 flat angles P-C4'-P energy: -44.489 tors. eta vs tors. theta energy: -97.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1056.336500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.336500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.336500 (E_RNA) where: Base-Base interactions energy: -715.470 where: short stacking energy: -307.308 Base-Backbone interact. energy: -2.950 local terms energy: -337.916683 where: bonds (distance) C4'-P energy: -56.312 bonds (distance) P-C4' energy: -68.934 flat angles C4'-P-C4' energy: -71.686 flat angles P-C4'-P energy: -53.691 tors. eta vs tors. theta energy: -87.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -944.654996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.654996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.654996 (E_RNA) where: Base-Base interactions energy: -620.085 where: short stacking energy: -278.208 Base-Backbone interact. energy: -1.370 local terms energy: -323.199048 where: bonds (distance) C4'-P energy: -62.233 bonds (distance) P-C4' energy: -65.404 flat angles C4'-P-C4' energy: -70.187 flat angles P-C4'-P energy: -45.803 tors. eta vs tors. theta energy: -79.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -891.289845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.289845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.289845 (E_RNA) where: Base-Base interactions energy: -589.276 where: short stacking energy: -233.155 Base-Backbone interact. energy: -2.001 local terms energy: -300.013095 where: bonds (distance) C4'-P energy: -48.432 bonds (distance) P-C4' energy: -60.516 flat angles C4'-P-C4' energy: -70.187 flat angles P-C4'-P energy: -46.138 tors. eta vs tors. theta energy: -74.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -856.487140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.487140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.487140 (E_RNA) where: Base-Base interactions energy: -575.013 where: short stacking energy: -257.138 Base-Backbone interact. energy: -1.257 local terms energy: -280.217203 where: bonds (distance) C4'-P energy: -50.358 bonds (distance) P-C4' energy: -61.671 flat angles C4'-P-C4' energy: -59.725 flat angles P-C4'-P energy: -37.732 tors. eta vs tors. theta energy: -70.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -735.292029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.292029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.292029 (E_RNA) where: Base-Base interactions energy: -481.274 where: short stacking energy: -229.608 Base-Backbone interact. energy: 1.658 local terms energy: -255.676147 where: bonds (distance) C4'-P energy: -57.520 bonds (distance) P-C4' energy: -56.370 flat angles C4'-P-C4' energy: -49.589 flat angles P-C4'-P energy: -31.879 tors. eta vs tors. theta energy: -60.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -557.449191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.449191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.449191 (E_RNA) where: Base-Base interactions energy: -338.219 where: short stacking energy: -168.569 Base-Backbone interact. energy: -0.805 local terms energy: -218.424762 where: bonds (distance) C4'-P energy: -54.436 bonds (distance) P-C4' energy: -62.194 flat angles C4'-P-C4' energy: -49.306 flat angles P-C4'-P energy: -32.299 tors. eta vs tors. theta energy: -20.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -503.456009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.456009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.456009 (E_RNA) where: Base-Base interactions energy: -278.974 where: short stacking energy: -154.332 Base-Backbone interact. energy: 3.012 local terms energy: -227.494145 where: bonds (distance) C4'-P energy: -55.590 bonds (distance) P-C4' energy: -54.332 flat angles C4'-P-C4' energy: -51.802 flat angles P-C4'-P energy: -32.433 tors. eta vs tors. theta energy: -33.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -292.094650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.094650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.094650 (E_RNA) where: Base-Base interactions energy: -113.465 where: short stacking energy: -82.288 Base-Backbone interact. energy: 4.932 local terms energy: -183.561762 where: bonds (distance) C4'-P energy: -55.700 bonds (distance) P-C4' energy: -61.172 flat angles C4'-P-C4' energy: -45.156 flat angles P-C4'-P energy: -31.580 tors. eta vs tors. theta energy: 10.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1179.587716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.587716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.587716 (E_RNA) where: Base-Base interactions energy: -841.546 where: short stacking energy: -313.812 Base-Backbone interact. energy: -0.877 local terms energy: -337.165276 where: bonds (distance) C4'-P energy: -65.921 bonds (distance) P-C4' energy: -61.498 flat angles C4'-P-C4' energy: -68.386 flat angles P-C4'-P energy: -51.411 tors. eta vs tors. theta energy: -89.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1092.802439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.802439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.802439 (E_RNA) where: Base-Base interactions energy: -762.149 where: short stacking energy: -318.939 Base-Backbone interact. energy: -2.408 local terms energy: -328.245349 where: bonds (distance) C4'-P energy: -53.356 bonds (distance) P-C4' energy: -61.716 flat angles C4'-P-C4' energy: -69.034 flat angles P-C4'-P energy: -50.012 tors. eta vs tors. theta energy: -94.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1054.191269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.191269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.191269 (E_RNA) where: Base-Base interactions energy: -742.988 where: short stacking energy: -292.227 Base-Backbone interact. energy: -0.685 local terms energy: -310.517895 where: bonds (distance) C4'-P energy: -65.921 bonds (distance) P-C4' energy: -63.134 flat angles C4'-P-C4' energy: -64.155 flat angles P-C4'-P energy: -43.099 tors. eta vs tors. theta energy: -74.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -941.116015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.116015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.116015 (E_RNA) where: Base-Base interactions energy: -638.087 where: short stacking energy: -287.718 Base-Backbone interact. energy: -1.139 local terms energy: -301.890560 where: bonds (distance) C4'-P energy: -53.281 bonds (distance) P-C4' energy: -52.151 flat angles C4'-P-C4' energy: -62.858 flat angles P-C4'-P energy: -45.768 tors. eta vs tors. theta energy: -87.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -865.728331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.728331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.728331 (E_RNA) where: Base-Base interactions energy: -584.332 where: short stacking energy: -250.820 Base-Backbone interact. energy: -0.645 local terms energy: -280.751675 where: bonds (distance) C4'-P energy: -57.916 bonds (distance) P-C4' energy: -55.953 flat angles C4'-P-C4' energy: -60.238 flat angles P-C4'-P energy: -39.112 tors. eta vs tors. theta energy: -67.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -824.204632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.204632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.204632 (E_RNA) where: Base-Base interactions energy: -547.305 where: short stacking energy: -240.423 Base-Backbone interact. energy: -2.206 local terms energy: -274.693342 where: bonds (distance) C4'-P energy: -51.931 bonds (distance) P-C4' energy: -52.182 flat angles C4'-P-C4' energy: -59.722 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: -61.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -753.744419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.744419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.744419 (E_RNA) where: Base-Base interactions energy: -507.191 where: short stacking energy: -231.340 Base-Backbone interact. energy: -1.152 local terms energy: -245.401454 where: bonds (distance) C4'-P energy: -43.378 bonds (distance) P-C4' energy: -55.678 flat angles C4'-P-C4' energy: -52.532 flat angles P-C4'-P energy: -37.487 tors. eta vs tors. theta energy: -56.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -536.738821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.738821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.738821 (E_RNA) where: Base-Base interactions energy: -313.736 where: short stacking energy: -140.421 Base-Backbone interact. energy: 2.515 local terms energy: -225.517756 where: bonds (distance) C4'-P energy: -60.456 bonds (distance) P-C4' energy: -54.097 flat angles C4'-P-C4' energy: -51.333 flat angles P-C4'-P energy: -35.491 tors. eta vs tors. theta energy: -24.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -457.732552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.732552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.732552 (E_RNA) where: Base-Base interactions energy: -268.915 where: short stacking energy: -150.848 Base-Backbone interact. energy: -0.845 local terms energy: -187.972507 where: bonds (distance) C4'-P energy: -39.446 bonds (distance) P-C4' energy: -50.629 flat angles C4'-P-C4' energy: -50.302 flat angles P-C4'-P energy: -32.281 tors. eta vs tors. theta energy: -15.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -296.457135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.457135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.457135 (E_RNA) where: Base-Base interactions energy: -99.936 where: short stacking energy: -81.734 Base-Backbone interact. energy: -1.533 local terms energy: -194.988556 where: bonds (distance) C4'-P energy: -63.276 bonds (distance) P-C4' energy: -53.401 flat angles C4'-P-C4' energy: -53.316 flat angles P-C4'-P energy: -27.270 tors. eta vs tors. theta energy: 2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1146.668759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.668759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.668759 (E_RNA) where: Base-Base interactions energy: -812.054 where: short stacking energy: -310.431 Base-Backbone interact. energy: -2.462 local terms energy: -332.152086 where: bonds (distance) C4'-P energy: -59.246 bonds (distance) P-C4' energy: -65.995 flat angles C4'-P-C4' energy: -68.561 flat angles P-C4'-P energy: -51.067 tors. eta vs tors. theta energy: -87.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1092.841995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.841995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.841995 (E_RNA) where: Base-Base interactions energy: -777.828 where: short stacking energy: -304.114 Base-Backbone interact. energy: -2.661 local terms energy: -312.353387 where: bonds (distance) C4'-P energy: -51.967 bonds (distance) P-C4' energy: -65.439 flat angles C4'-P-C4' energy: -60.128 flat angles P-C4'-P energy: -41.388 tors. eta vs tors. theta energy: -93.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1064.224115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.224115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.224115 (E_RNA) where: Base-Base interactions energy: -743.018 where: short stacking energy: -303.656 Base-Backbone interact. energy: -1.711 local terms energy: -319.494972 where: bonds (distance) C4'-P energy: -56.536 bonds (distance) P-C4' energy: -64.601 flat angles C4'-P-C4' energy: -70.110 flat angles P-C4'-P energy: -45.204 tors. eta vs tors. theta energy: -83.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -961.639946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.639946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.639946 (E_RNA) where: Base-Base interactions energy: -636.881 where: short stacking energy: -297.907 Base-Backbone interact. energy: -1.637 local terms energy: -323.121737 where: bonds (distance) C4'-P energy: -63.874 bonds (distance) P-C4' energy: -58.994 flat angles C4'-P-C4' energy: -71.601 flat angles P-C4'-P energy: -28.289 tors. eta vs tors. theta energy: -100.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -849.552847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.552847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.552847 (E_RNA) where: Base-Base interactions energy: -545.267 where: short stacking energy: -244.902 Base-Backbone interact. energy: -0.391 local terms energy: -303.895790 where: bonds (distance) C4'-P energy: -60.240 bonds (distance) P-C4' energy: -62.794 flat angles C4'-P-C4' energy: -71.425 flat angles P-C4'-P energy: -45.843 tors. eta vs tors. theta energy: -63.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -833.381735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.381735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.381735 (E_RNA) where: Base-Base interactions energy: -554.838 where: short stacking energy: -222.524 Base-Backbone interact. energy: 0.026 local terms energy: -278.569962 where: bonds (distance) C4'-P energy: -63.493 bonds (distance) P-C4' energy: -59.032 flat angles C4'-P-C4' energy: -62.151 flat angles P-C4'-P energy: -38.734 tors. eta vs tors. theta energy: -55.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -734.844205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.844205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.844205 (E_RNA) where: Base-Base interactions energy: -482.067 where: short stacking energy: -215.858 Base-Backbone interact. energy: 0.251 local terms energy: -253.029082 where: bonds (distance) C4'-P energy: -55.537 bonds (distance) P-C4' energy: -56.193 flat angles C4'-P-C4' energy: -61.569 flat angles P-C4'-P energy: -46.447 tors. eta vs tors. theta energy: -33.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -529.955404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.955404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.955404 (E_RNA) where: Base-Base interactions energy: -309.486 where: short stacking energy: -147.896 Base-Backbone interact. energy: -1.121 local terms energy: -219.348560 where: bonds (distance) C4'-P energy: -57.868 bonds (distance) P-C4' energy: -55.860 flat angles C4'-P-C4' energy: -55.652 flat angles P-C4'-P energy: -37.517 tors. eta vs tors. theta energy: -12.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -482.422979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.422979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.422979 (E_RNA) where: Base-Base interactions energy: -223.586 where: short stacking energy: -128.244 Base-Backbone interact. energy: -0.444 local terms energy: -258.393096 where: bonds (distance) C4'-P energy: -65.697 bonds (distance) P-C4' energy: -69.544 flat angles C4'-P-C4' energy: -55.611 flat angles P-C4'-P energy: -48.328 tors. eta vs tors. theta energy: -19.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -275.804477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.804477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.804477 (E_RNA) where: Base-Base interactions energy: -65.944 where: short stacking energy: -64.984 Base-Backbone interact. energy: -0.845 local terms energy: -209.014925 where: bonds (distance) C4'-P energy: -64.143 bonds (distance) P-C4' energy: -67.094 flat angles C4'-P-C4' energy: -58.535 flat angles P-C4'-P energy: -13.456 tors. eta vs tors. theta energy: -5.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1160.278687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.278687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.278687 (E_RNA) where: Base-Base interactions energy: -821.908 where: short stacking energy: -317.747 Base-Backbone interact. energy: -1.528 local terms energy: -336.842806 where: bonds (distance) C4'-P energy: -69.880 bonds (distance) P-C4' energy: -64.086 flat angles C4'-P-C4' energy: -71.329 flat angles P-C4'-P energy: -45.055 tors. eta vs tors. theta energy: -86.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1094.139967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.139967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.139967 (E_RNA) where: Base-Base interactions energy: -757.830 where: short stacking energy: -313.908 Base-Backbone interact. energy: -1.394 local terms energy: -334.916172 where: bonds (distance) C4'-P energy: -60.099 bonds (distance) P-C4' energy: -68.185 flat angles C4'-P-C4' energy: -70.709 flat angles P-C4'-P energy: -44.443 tors. eta vs tors. theta energy: -91.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1067.564876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.564876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.564876 (E_RNA) where: Base-Base interactions energy: -740.337 where: short stacking energy: -319.566 Base-Backbone interact. energy: -0.633 local terms energy: -326.595057 where: bonds (distance) C4'-P energy: -60.209 bonds (distance) P-C4' energy: -55.058 flat angles C4'-P-C4' energy: -74.941 flat angles P-C4'-P energy: -46.407 tors. eta vs tors. theta energy: -89.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -919.855696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.855696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.855696 (E_RNA) where: Base-Base interactions energy: -609.904 where: short stacking energy: -287.551 Base-Backbone interact. energy: -1.192 local terms energy: -308.759858 where: bonds (distance) C4'-P energy: -56.172 bonds (distance) P-C4' energy: -67.969 flat angles C4'-P-C4' energy: -64.216 flat angles P-C4'-P energy: -40.822 tors. eta vs tors. theta energy: -79.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -868.622668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.622668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.622668 (E_RNA) where: Base-Base interactions energy: -579.018 where: short stacking energy: -247.937 Base-Backbone interact. energy: -3.863 local terms energy: -285.741426 where: bonds (distance) C4'-P energy: -63.305 bonds (distance) P-C4' energy: -44.329 flat angles C4'-P-C4' energy: -69.706 flat angles P-C4'-P energy: -38.060 tors. eta vs tors. theta energy: -70.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -771.987775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.987775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.987775 (E_RNA) where: Base-Base interactions energy: -489.227 where: short stacking energy: -224.499 Base-Backbone interact. energy: 0.898 local terms energy: -283.658610 where: bonds (distance) C4'-P energy: -48.975 bonds (distance) P-C4' energy: -63.068 flat angles C4'-P-C4' energy: -73.832 flat angles P-C4'-P energy: -47.284 tors. eta vs tors. theta energy: -50.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -818.538240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.538240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.538240 (E_RNA) where: Base-Base interactions energy: -549.368 where: short stacking energy: -233.656 Base-Backbone interact. energy: -0.920 local terms energy: -268.250142 where: bonds (distance) C4'-P energy: -58.349 bonds (distance) P-C4' energy: -54.729 flat angles C4'-P-C4' energy: -61.080 flat angles P-C4'-P energy: -34.155 tors. eta vs tors. theta energy: -59.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -530.285264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.285264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.285264 (E_RNA) where: Base-Base interactions energy: -308.573 where: short stacking energy: -155.639 Base-Backbone interact. energy: -1.128 local terms energy: -220.584138 where: bonds (distance) C4'-P energy: -48.623 bonds (distance) P-C4' energy: -62.980 flat angles C4'-P-C4' energy: -62.068 flat angles P-C4'-P energy: -27.979 tors. eta vs tors. theta energy: -18.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -452.098749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.098749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.098749 (E_RNA) where: Base-Base interactions energy: -256.529 where: short stacking energy: -148.117 Base-Backbone interact. energy: -1.940 local terms energy: -193.629185 where: bonds (distance) C4'-P energy: -53.807 bonds (distance) P-C4' energy: -44.287 flat angles C4'-P-C4' energy: -46.550 flat angles P-C4'-P energy: -34.281 tors. eta vs tors. theta energy: -14.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -262.439507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.439507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.439507 (E_RNA) where: Base-Base interactions energy: -97.476 where: short stacking energy: -90.127 Base-Backbone interact. energy: 1.997 local terms energy: -166.960867 where: bonds (distance) C4'-P energy: -51.596 bonds (distance) P-C4' energy: -58.715 flat angles C4'-P-C4' energy: -42.211 flat angles P-C4'-P energy: -19.644 tors. eta vs tors. theta energy: 5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1140.612715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.612715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.612715 (E_RNA) where: Base-Base interactions energy: -799.054 where: short stacking energy: -315.438 Base-Backbone interact. energy: -3.055 local terms energy: -338.503567 where: bonds (distance) C4'-P energy: -54.246 bonds (distance) P-C4' energy: -79.194 flat angles C4'-P-C4' energy: -72.031 flat angles P-C4'-P energy: -50.362 tors. eta vs tors. theta energy: -82.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1084.432058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.432058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.432058 (E_RNA) where: Base-Base interactions energy: -749.103 where: short stacking energy: -310.166 Base-Backbone interact. energy: -1.692 local terms energy: -333.637017 where: bonds (distance) C4'-P energy: -59.168 bonds (distance) P-C4' energy: -57.696 flat angles C4'-P-C4' energy: -74.397 flat angles P-C4'-P energy: -50.500 tors. eta vs tors. theta energy: -91.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1042.182696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.182696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.182696 (E_RNA) where: Base-Base interactions energy: -728.622 where: short stacking energy: -293.107 Base-Backbone interact. energy: -1.213 local terms energy: -312.347192 where: bonds (distance) C4'-P energy: -64.487 bonds (distance) P-C4' energy: -48.506 flat angles C4'-P-C4' energy: -71.606 flat angles P-C4'-P energy: -48.851 tors. eta vs tors. theta energy: -78.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -937.749260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.749260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.749260 (E_RNA) where: Base-Base interactions energy: -622.189 where: short stacking energy: -289.101 Base-Backbone interact. energy: -0.238 local terms energy: -315.322958 where: bonds (distance) C4'-P energy: -62.757 bonds (distance) P-C4' energy: -51.983 flat angles C4'-P-C4' energy: -72.063 flat angles P-C4'-P energy: -40.282 tors. eta vs tors. theta energy: -88.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -854.636310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.636310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.636310 (E_RNA) where: Base-Base interactions energy: -569.436 where: short stacking energy: -245.103 Base-Backbone interact. energy: -0.440 local terms energy: -284.760300 where: bonds (distance) C4'-P energy: -60.965 bonds (distance) P-C4' energy: -55.194 flat angles C4'-P-C4' energy: -66.863 flat angles P-C4'-P energy: -36.724 tors. eta vs tors. theta energy: -65.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -775.063092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.063092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.063092 (E_RNA) where: Base-Base interactions energy: -498.245 where: short stacking energy: -233.566 Base-Backbone interact. energy: -1.402 local terms energy: -275.416412 where: bonds (distance) C4'-P energy: -57.740 bonds (distance) P-C4' energy: -58.860 flat angles C4'-P-C4' energy: -64.587 flat angles P-C4'-P energy: -33.961 tors. eta vs tors. theta energy: -60.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -771.303223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.303223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.303223 (E_RNA) where: Base-Base interactions energy: -505.452 where: short stacking energy: -215.280 Base-Backbone interact. energy: 0.299 local terms energy: -266.150805 where: bonds (distance) C4'-P energy: -52.992 bonds (distance) P-C4' energy: -59.283 flat angles C4'-P-C4' energy: -59.611 flat angles P-C4'-P energy: -35.015 tors. eta vs tors. theta energy: -59.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -498.888490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.888490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.888490 (E_RNA) where: Base-Base interactions energy: -276.923 where: short stacking energy: -132.211 Base-Backbone interact. energy: 0.299 local terms energy: -222.264438 where: bonds (distance) C4'-P energy: -42.184 bonds (distance) P-C4' energy: -68.189 flat angles C4'-P-C4' energy: -50.917 flat angles P-C4'-P energy: -40.034 tors. eta vs tors. theta energy: -20.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -488.756188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.756188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.756188 (E_RNA) where: Base-Base interactions energy: -285.281 where: short stacking energy: -152.749 Base-Backbone interact. energy: 4.158 local terms energy: -207.632953 where: bonds (distance) C4'-P energy: -56.311 bonds (distance) P-C4' energy: -60.179 flat angles C4'-P-C4' energy: -48.074 flat angles P-C4'-P energy: -30.973 tors. eta vs tors. theta energy: -12.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -288.067473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.067473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.067473 (E_RNA) where: Base-Base interactions energy: -137.914 where: short stacking energy: -84.439 Base-Backbone interact. energy: -1.273 local terms energy: -148.880485 where: bonds (distance) C4'-P energy: -38.328 bonds (distance) P-C4' energy: -54.503 flat angles C4'-P-C4' energy: -37.885 flat angles P-C4'-P energy: -26.639 tors. eta vs tors. theta energy: 8.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1160.075233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.075233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.075233 (E_RNA) where: Base-Base interactions energy: -834.236 where: short stacking energy: -316.160 Base-Backbone interact. energy: 1.594 local terms energy: -327.433413 where: bonds (distance) C4'-P energy: -58.293 bonds (distance) P-C4' energy: -63.999 flat angles C4'-P-C4' energy: -75.684 flat angles P-C4'-P energy: -42.306 tors. eta vs tors. theta energy: -87.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1071.807299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.807299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.807299 (E_RNA) where: Base-Base interactions energy: -747.168 where: short stacking energy: -307.624 Base-Backbone interact. energy: -0.179 local terms energy: -324.460419 where: bonds (distance) C4'-P energy: -59.560 bonds (distance) P-C4' energy: -65.321 flat angles C4'-P-C4' energy: -69.622 flat angles P-C4'-P energy: -49.072 tors. eta vs tors. theta energy: -80.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1068.901867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.901867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.901867 (E_RNA) where: Base-Base interactions energy: -750.794 where: short stacking energy: -302.698 Base-Backbone interact. energy: -0.691 local terms energy: -317.417003 where: bonds (distance) C4'-P energy: -59.539 bonds (distance) P-C4' energy: -53.773 flat angles C4'-P-C4' energy: -64.899 flat angles P-C4'-P energy: -49.141 tors. eta vs tors. theta energy: -90.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -927.325504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.325504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.325504 (E_RNA) where: Base-Base interactions energy: -612.518 where: short stacking energy: -288.666 Base-Backbone interact. energy: -1.382 local terms energy: -313.425900 where: bonds (distance) C4'-P energy: -50.994 bonds (distance) P-C4' energy: -64.485 flat angles C4'-P-C4' energy: -71.664 flat angles P-C4'-P energy: -45.418 tors. eta vs tors. theta energy: -80.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -865.008338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.008338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.008338 (E_RNA) where: Base-Base interactions energy: -594.995 where: short stacking energy: -261.278 Base-Backbone interact. energy: -2.799 local terms energy: -267.214105 where: bonds (distance) C4'-P energy: -44.798 bonds (distance) P-C4' energy: -60.565 flat angles C4'-P-C4' energy: -59.954 flat angles P-C4'-P energy: -40.848 tors. eta vs tors. theta energy: -61.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -775.466342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.466342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.466342 (E_RNA) where: Base-Base interactions energy: -524.277 where: short stacking energy: -214.674 Base-Backbone interact. energy: 2.369 local terms energy: -253.557823 where: bonds (distance) C4'-P energy: -53.906 bonds (distance) P-C4' energy: -42.967 flat angles C4'-P-C4' energy: -66.186 flat angles P-C4'-P energy: -33.112 tors. eta vs tors. theta energy: -57.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -766.447934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.447934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.447934 (E_RNA) where: Base-Base interactions energy: -510.847 where: short stacking energy: -223.919 Base-Backbone interact. energy: 0.226 local terms energy: -255.826750 where: bonds (distance) C4'-P energy: -48.751 bonds (distance) P-C4' energy: -63.301 flat angles C4'-P-C4' energy: -60.431 flat angles P-C4'-P energy: -42.366 tors. eta vs tors. theta energy: -40.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -479.776212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.776212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.776212 (E_RNA) where: Base-Base interactions energy: -281.082 where: short stacking energy: -156.241 Base-Backbone interact. energy: -2.169 local terms energy: -196.524660 where: bonds (distance) C4'-P energy: -51.479 bonds (distance) P-C4' energy: -45.393 flat angles C4'-P-C4' energy: -55.345 flat angles P-C4'-P energy: -29.664 tors. eta vs tors. theta energy: -14.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -462.689924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.689924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.689924 (E_RNA) where: Base-Base interactions energy: -247.396 where: short stacking energy: -109.491 Base-Backbone interact. energy: -1.191 local terms energy: -214.102885 where: bonds (distance) C4'-P energy: -63.445 bonds (distance) P-C4' energy: -54.905 flat angles C4'-P-C4' energy: -47.040 flat angles P-C4'-P energy: -35.903 tors. eta vs tors. theta energy: -12.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -277.305803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.305803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.305803 (E_RNA) where: Base-Base interactions energy: -100.475 where: short stacking energy: -69.663 Base-Backbone interact. energy: -1.484 local terms energy: -175.347299 where: bonds (distance) C4'-P energy: -42.537 bonds (distance) P-C4' energy: -63.056 flat angles C4'-P-C4' energy: -49.813 flat angles P-C4'-P energy: -32.106 tors. eta vs tors. theta energy: 12.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1147.280418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.280418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.280418 (E_RNA) where: Base-Base interactions energy: -798.604 where: short stacking energy: -307.447 Base-Backbone interact. energy: -1.771 local terms energy: -346.905404 where: bonds (distance) C4'-P energy: -68.192 bonds (distance) P-C4' energy: -74.928 flat angles C4'-P-C4' energy: -69.213 flat angles P-C4'-P energy: -44.209 tors. eta vs tors. theta energy: -90.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1081.877934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.877934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.877934 (E_RNA) where: Base-Base interactions energy: -765.713 where: short stacking energy: -308.178 Base-Backbone interact. energy: 0.101 local terms energy: -316.265509 where: bonds (distance) C4'-P energy: -53.566 bonds (distance) P-C4' energy: -65.751 flat angles C4'-P-C4' energy: -57.445 flat angles P-C4'-P energy: -46.446 tors. eta vs tors. theta energy: -93.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1058.949276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.949276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.949276 (E_RNA) where: Base-Base interactions energy: -731.540 where: short stacking energy: -321.058 Base-Backbone interact. energy: -0.016 local terms energy: -327.393702 where: bonds (distance) C4'-P energy: -59.499 bonds (distance) P-C4' energy: -64.068 flat angles C4'-P-C4' energy: -67.413 flat angles P-C4'-P energy: -49.595 tors. eta vs tors. theta energy: -86.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -924.984577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.984577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.984577 (E_RNA) where: Base-Base interactions energy: -603.307 where: short stacking energy: -287.236 Base-Backbone interact. energy: 0.659 local terms energy: -322.336092 where: bonds (distance) C4'-P energy: -60.257 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -70.115 flat angles P-C4'-P energy: -48.568 tors. eta vs tors. theta energy: -82.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -905.302641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.302641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.302641 (E_RNA) where: Base-Base interactions energy: -602.507 where: short stacking energy: -274.904 Base-Backbone interact. energy: -1.499 local terms energy: -301.296042 where: bonds (distance) C4'-P energy: -59.797 bonds (distance) P-C4' energy: -54.937 flat angles C4'-P-C4' energy: -69.441 flat angles P-C4'-P energy: -42.579 tors. eta vs tors. theta energy: -74.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -842.502448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.502448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.502448 (E_RNA) where: Base-Base interactions energy: -575.251 where: short stacking energy: -243.683 Base-Backbone interact. energy: 0.618 local terms energy: -267.869563 where: bonds (distance) C4'-P energy: -56.034 bonds (distance) P-C4' energy: -59.302 flat angles C4'-P-C4' energy: -65.423 flat angles P-C4'-P energy: -21.365 tors. eta vs tors. theta energy: -65.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -748.636010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.636010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.636010 (E_RNA) where: Base-Base interactions energy: -501.299 where: short stacking energy: -236.825 Base-Backbone interact. energy: -1.363 local terms energy: -245.974132 where: bonds (distance) C4'-P energy: -45.059 bonds (distance) P-C4' energy: -48.870 flat angles C4'-P-C4' energy: -59.318 flat angles P-C4'-P energy: -40.171 tors. eta vs tors. theta energy: -52.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -501.007671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.007671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.007671 (E_RNA) where: Base-Base interactions energy: -286.813 where: short stacking energy: -173.125 Base-Backbone interact. energy: 1.295 local terms energy: -215.489730 where: bonds (distance) C4'-P energy: -52.837 bonds (distance) P-C4' energy: -44.682 flat angles C4'-P-C4' energy: -56.781 flat angles P-C4'-P energy: -33.982 tors. eta vs tors. theta energy: -27.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -430.355835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.355835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.355835 (E_RNA) where: Base-Base interactions energy: -229.188 where: short stacking energy: -119.888 Base-Backbone interact. energy: -0.946 local terms energy: -200.222497 where: bonds (distance) C4'-P energy: -54.078 bonds (distance) P-C4' energy: -51.044 flat angles C4'-P-C4' energy: -47.590 flat angles P-C4'-P energy: -36.453 tors. eta vs tors. theta energy: -11.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -263.412520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.412520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.412520 (E_RNA) where: Base-Base interactions energy: -92.849 where: short stacking energy: -78.193 Base-Backbone interact. energy: 1.097 local terms energy: -171.660811 where: bonds (distance) C4'-P energy: -55.560 bonds (distance) P-C4' energy: -39.493 flat angles C4'-P-C4' energy: -52.244 flat angles P-C4'-P energy: -33.076 tors. eta vs tors. theta energy: 8.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1142.373541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.373541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.373541 (E_RNA) where: Base-Base interactions energy: -812.272 where: short stacking energy: -320.166 Base-Backbone interact. energy: -1.049 local terms energy: -329.052337 where: bonds (distance) C4'-P energy: -61.075 bonds (distance) P-C4' energy: -66.210 flat angles C4'-P-C4' energy: -75.595 flat angles P-C4'-P energy: -46.332 tors. eta vs tors. theta energy: -79.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1092.149200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.149200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.149200 (E_RNA) where: Base-Base interactions energy: -774.310 where: short stacking energy: -310.537 Base-Backbone interact. energy: -0.433 local terms energy: -317.406055 where: bonds (distance) C4'-P energy: -49.319 bonds (distance) P-C4' energy: -64.907 flat angles C4'-P-C4' energy: -66.609 flat angles P-C4'-P energy: -47.317 tors. eta vs tors. theta energy: -89.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1054.207868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.207868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.207868 (E_RNA) where: Base-Base interactions energy: -750.485 where: short stacking energy: -300.037 Base-Backbone interact. energy: -0.623 local terms energy: -303.099346 where: bonds (distance) C4'-P energy: -66.134 bonds (distance) P-C4' energy: -51.446 flat angles C4'-P-C4' energy: -69.664 flat angles P-C4'-P energy: -39.542 tors. eta vs tors. theta energy: -76.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -915.767472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.767472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.767472 (E_RNA) where: Base-Base interactions energy: -607.368 where: short stacking energy: -275.709 Base-Backbone interact. energy: 2.737 local terms energy: -311.136224 where: bonds (distance) C4'-P energy: -59.441 bonds (distance) P-C4' energy: -60.929 flat angles C4'-P-C4' energy: -64.717 flat angles P-C4'-P energy: -44.474 tors. eta vs tors. theta energy: -81.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -929.382165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.382165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.382165 (E_RNA) where: Base-Base interactions energy: -627.133 where: short stacking energy: -279.348 Base-Backbone interact. energy: 0.986 local terms energy: -303.234904 where: bonds (distance) C4'-P energy: -47.892 bonds (distance) P-C4' energy: -69.778 flat angles C4'-P-C4' energy: -59.449 flat angles P-C4'-P energy: -41.725 tors. eta vs tors. theta energy: -84.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -781.754896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.754896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.754896 (E_RNA) where: Base-Base interactions energy: -506.115 where: short stacking energy: -235.654 Base-Backbone interact. energy: -2.115 local terms energy: -273.524988 where: bonds (distance) C4'-P energy: -57.892 bonds (distance) P-C4' energy: -50.881 flat angles C4'-P-C4' energy: -61.418 flat angles P-C4'-P energy: -45.374 tors. eta vs tors. theta energy: -57.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -857.399343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.399343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.399343 (E_RNA) where: Base-Base interactions energy: -586.362 where: short stacking energy: -240.274 Base-Backbone interact. energy: -3.986 local terms energy: -267.051124 where: bonds (distance) C4'-P energy: -52.033 bonds (distance) P-C4' energy: -51.513 flat angles C4'-P-C4' energy: -55.611 flat angles P-C4'-P energy: -37.952 tors. eta vs tors. theta energy: -69.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -503.456930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.456930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.456930 (E_RNA) where: Base-Base interactions energy: -298.538 where: short stacking energy: -130.824 Base-Backbone interact. energy: -1.940 local terms energy: -202.979007 where: bonds (distance) C4'-P energy: -49.271 bonds (distance) P-C4' energy: -59.275 flat angles C4'-P-C4' energy: -53.775 flat angles P-C4'-P energy: -26.656 tors. eta vs tors. theta energy: -14.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -374.112561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.112561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.112561 (E_RNA) where: Base-Base interactions energy: -185.051 where: short stacking energy: -100.681 Base-Backbone interact. energy: -2.205 local terms energy: -186.856056 where: bonds (distance) C4'-P energy: -56.366 bonds (distance) P-C4' energy: -52.909 flat angles C4'-P-C4' energy: -55.775 flat angles P-C4'-P energy: -25.879 tors. eta vs tors. theta energy: 4.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -265.145511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.145511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.145511 (E_RNA) where: Base-Base interactions energy: -84.798 where: short stacking energy: -69.805 Base-Backbone interact. energy: 1.674 local terms energy: -182.021261 where: bonds (distance) C4'-P energy: -49.964 bonds (distance) P-C4' energy: -64.609 flat angles C4'-P-C4' energy: -50.062 flat angles P-C4'-P energy: -23.601 tors. eta vs tors. theta energy: 6.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1175.725345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.725345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.725345 (E_RNA) where: Base-Base interactions energy: -814.444 where: short stacking energy: -316.007 Base-Backbone interact. energy: -2.344 local terms energy: -358.937678 where: bonds (distance) C4'-P energy: -73.457 bonds (distance) P-C4' energy: -72.925 flat angles C4'-P-C4' energy: -72.821 flat angles P-C4'-P energy: -49.251 tors. eta vs tors. theta energy: -90.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1070.286945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.286945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.286945 (E_RNA) where: Base-Base interactions energy: -735.577 where: short stacking energy: -302.025 Base-Backbone interact. energy: -2.728 local terms energy: -331.982006 where: bonds (distance) C4'-P energy: -67.054 bonds (distance) P-C4' energy: -65.686 flat angles C4'-P-C4' energy: -65.652 flat angles P-C4'-P energy: -47.902 tors. eta vs tors. theta energy: -85.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1044.408094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.408094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.408094 (E_RNA) where: Base-Base interactions energy: -717.843 where: short stacking energy: -296.160 Base-Backbone interact. energy: -1.506 local terms energy: -325.058728 where: bonds (distance) C4'-P energy: -70.010 bonds (distance) P-C4' energy: -69.325 flat angles C4'-P-C4' energy: -60.436 flat angles P-C4'-P energy: -48.122 tors. eta vs tors. theta energy: -77.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -926.548677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.548677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.548677 (E_RNA) where: Base-Base interactions energy: -619.541 where: short stacking energy: -266.846 Base-Backbone interact. energy: 1.117 local terms energy: -308.123840 where: bonds (distance) C4'-P energy: -62.934 bonds (distance) P-C4' energy: -48.192 flat angles C4'-P-C4' energy: -69.654 flat angles P-C4'-P energy: -45.924 tors. eta vs tors. theta energy: -81.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -902.989159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.989159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.989159 (E_RNA) where: Base-Base interactions energy: -614.637 where: short stacking energy: -271.064 Base-Backbone interact. energy: 0.461 local terms energy: -288.812526 where: bonds (distance) C4'-P energy: -59.424 bonds (distance) P-C4' energy: -57.505 flat angles C4'-P-C4' energy: -64.081 flat angles P-C4'-P energy: -41.434 tors. eta vs tors. theta energy: -66.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -808.430136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.430136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.430136 (E_RNA) where: Base-Base interactions energy: -527.277 where: short stacking energy: -245.853 Base-Backbone interact. energy: -1.522 local terms energy: -279.631525 where: bonds (distance) C4'-P energy: -59.916 bonds (distance) P-C4' energy: -69.774 flat angles C4'-P-C4' energy: -51.539 flat angles P-C4'-P energy: -33.280 tors. eta vs tors. theta energy: -65.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -845.124233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.124233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.124233 (E_RNA) where: Base-Base interactions energy: -551.411 where: short stacking energy: -246.842 Base-Backbone interact. energy: -1.441 local terms energy: -292.272036 where: bonds (distance) C4'-P energy: -53.160 bonds (distance) P-C4' energy: -66.461 flat angles C4'-P-C4' energy: -68.698 flat angles P-C4'-P energy: -35.181 tors. eta vs tors. theta energy: -68.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -486.451412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.451412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.451412 (E_RNA) where: Base-Base interactions energy: -259.150 where: short stacking energy: -135.682 Base-Backbone interact. energy: -0.800 local terms energy: -226.501606 where: bonds (distance) C4'-P energy: -46.107 bonds (distance) P-C4' energy: -67.758 flat angles C4'-P-C4' energy: -50.687 flat angles P-C4'-P energy: -41.729 tors. eta vs tors. theta energy: -20.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -370.570025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.570025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.570025 (E_RNA) where: Base-Base interactions energy: -196.456 where: short stacking energy: -102.919 Base-Backbone interact. energy: -1.179 local terms energy: -172.935507 where: bonds (distance) C4'-P energy: -44.731 bonds (distance) P-C4' energy: -56.820 flat angles C4'-P-C4' energy: -49.019 flat angles P-C4'-P energy: -29.431 tors. eta vs tors. theta energy: 7.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -263.965140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.965140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.965140 (E_RNA) where: Base-Base interactions energy: -96.837 where: short stacking energy: -73.273 Base-Backbone interact. energy: -1.450 local terms energy: -165.678806 where: bonds (distance) C4'-P energy: -63.674 bonds (distance) P-C4' energy: -43.890 flat angles C4'-P-C4' energy: -53.238 flat angles P-C4'-P energy: -22.209 tors. eta vs tors. theta energy: 17.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1164.422774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.422774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.422774 (E_RNA) where: Base-Base interactions energy: -826.713 where: short stacking energy: -321.615 Base-Backbone interact. energy: -1.122 local terms energy: -336.587595 where: bonds (distance) C4'-P energy: -57.735 bonds (distance) P-C4' energy: -58.153 flat angles C4'-P-C4' energy: -73.844 flat angles P-C4'-P energy: -56.298 tors. eta vs tors. theta energy: -90.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1073.701499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.701499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.701499 (E_RNA) where: Base-Base interactions energy: -757.900 where: short stacking energy: -301.750 Base-Backbone interact. energy: 1.192 local terms energy: -316.993924 where: bonds (distance) C4'-P energy: -58.495 bonds (distance) P-C4' energy: -54.819 flat angles C4'-P-C4' energy: -70.658 flat angles P-C4'-P energy: -40.868 tors. eta vs tors. theta energy: -92.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1049.756163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.756163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.756163 (E_RNA) where: Base-Base interactions energy: -734.748 where: short stacking energy: -314.515 Base-Backbone interact. energy: -1.207 local terms energy: -313.800984 where: bonds (distance) C4'-P energy: -60.845 bonds (distance) P-C4' energy: -59.423 flat angles C4'-P-C4' energy: -56.529 flat angles P-C4'-P energy: -51.049 tors. eta vs tors. theta energy: -85.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -981.519657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.519657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.519657 (E_RNA) where: Base-Base interactions energy: -656.355 where: short stacking energy: -284.515 Base-Backbone interact. energy: -3.192 local terms energy: -321.971877 where: bonds (distance) C4'-P energy: -60.190 bonds (distance) P-C4' energy: -63.946 flat angles C4'-P-C4' energy: -71.022 flat angles P-C4'-P energy: -41.530 tors. eta vs tors. theta energy: -85.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -905.541830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.541830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.541830 (E_RNA) where: Base-Base interactions energy: -597.518 where: short stacking energy: -293.276 Base-Backbone interact. energy: 0.007 local terms energy: -308.030732 where: bonds (distance) C4'-P energy: -64.669 bonds (distance) P-C4' energy: -64.088 flat angles C4'-P-C4' energy: -59.010 flat angles P-C4'-P energy: -38.071 tors. eta vs tors. theta energy: -82.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -844.697899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.697899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.697899 (E_RNA) where: Base-Base interactions energy: -544.692 where: short stacking energy: -258.529 Base-Backbone interact. energy: -0.958 local terms energy: -299.047809 where: bonds (distance) C4'-P energy: -59.387 bonds (distance) P-C4' energy: -62.061 flat angles C4'-P-C4' energy: -68.936 flat angles P-C4'-P energy: -34.296 tors. eta vs tors. theta energy: -74.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -728.687640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.687640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.687640 (E_RNA) where: Base-Base interactions energy: -484.247 where: short stacking energy: -199.091 Base-Backbone interact. energy: -2.128 local terms energy: -242.312753 where: bonds (distance) C4'-P energy: -49.763 bonds (distance) P-C4' energy: -57.187 flat angles C4'-P-C4' energy: -57.058 flat angles P-C4'-P energy: -32.646 tors. eta vs tors. theta energy: -45.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -472.250403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.250403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.250403 (E_RNA) where: Base-Base interactions energy: -257.659 where: short stacking energy: -137.563 Base-Backbone interact. energy: -1.200 local terms energy: -213.391101 where: bonds (distance) C4'-P energy: -55.198 bonds (distance) P-C4' energy: -54.615 flat angles C4'-P-C4' energy: -46.128 flat angles P-C4'-P energy: -33.831 tors. eta vs tors. theta energy: -23.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -363.574696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.574696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.574696 (E_RNA) where: Base-Base interactions energy: -195.350 where: short stacking energy: -114.747 Base-Backbone interact. energy: -1.723 local terms energy: -166.501460 where: bonds (distance) C4'-P energy: -52.479 bonds (distance) P-C4' energy: -38.781 flat angles C4'-P-C4' energy: -48.392 flat angles P-C4'-P energy: -16.808 tors. eta vs tors. theta energy: -10.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -265.259922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.259922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.259922 (E_RNA) where: Base-Base interactions energy: -92.658 where: short stacking energy: -82.229 Base-Backbone interact. energy: 0.234 local terms energy: -172.835922 where: bonds (distance) C4'-P energy: -51.328 bonds (distance) P-C4' energy: -54.857 flat angles C4'-P-C4' energy: -46.976 flat angles P-C4'-P energy: -23.992 tors. eta vs tors. theta energy: 4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1128.568283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.568283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.568283 (E_RNA) where: Base-Base interactions energy: -791.806 where: short stacking energy: -314.062 Base-Backbone interact. energy: -0.224 local terms energy: -336.538234 where: bonds (distance) C4'-P energy: -67.211 bonds (distance) P-C4' energy: -59.500 flat angles C4'-P-C4' energy: -68.313 flat angles P-C4'-P energy: -48.270 tors. eta vs tors. theta energy: -93.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1076.012765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.012765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.012765 (E_RNA) where: Base-Base interactions energy: -739.097 where: short stacking energy: -313.179 Base-Backbone interact. energy: -0.546 local terms energy: -336.369984 where: bonds (distance) C4'-P energy: -57.525 bonds (distance) P-C4' energy: -63.356 flat angles C4'-P-C4' energy: -70.489 flat angles P-C4'-P energy: -54.229 tors. eta vs tors. theta energy: -90.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1066.645669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.645669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.645669 (E_RNA) where: Base-Base interactions energy: -756.246 where: short stacking energy: -321.450 Base-Backbone interact. energy: -2.510 local terms energy: -307.890370 where: bonds (distance) C4'-P energy: -49.757 bonds (distance) P-C4' energy: -52.414 flat angles C4'-P-C4' energy: -73.827 flat angles P-C4'-P energy: -39.859 tors. eta vs tors. theta energy: -92.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -955.809172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.809172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.809172 (E_RNA) where: Base-Base interactions energy: -623.876 where: short stacking energy: -283.954 Base-Backbone interact. energy: -0.860 local terms energy: -331.072895 where: bonds (distance) C4'-P energy: -64.574 bonds (distance) P-C4' energy: -62.101 flat angles C4'-P-C4' energy: -69.317 flat angles P-C4'-P energy: -48.921 tors. eta vs tors. theta energy: -86.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -906.600975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.600975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.600975 (E_RNA) where: Base-Base interactions energy: -604.856 where: short stacking energy: -286.741 Base-Backbone interact. energy: -2.538 local terms energy: -299.207182 where: bonds (distance) C4'-P energy: -55.114 bonds (distance) P-C4' energy: -58.438 flat angles C4'-P-C4' energy: -63.621 flat angles P-C4'-P energy: -37.419 tors. eta vs tors. theta energy: -84.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -820.528449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.528449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.528449 (E_RNA) where: Base-Base interactions energy: -535.971 where: short stacking energy: -252.059 Base-Backbone interact. energy: -1.466 local terms energy: -283.091219 where: bonds (distance) C4'-P energy: -53.853 bonds (distance) P-C4' energy: -57.960 flat angles C4'-P-C4' energy: -58.004 flat angles P-C4'-P energy: -50.201 tors. eta vs tors. theta energy: -63.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -716.419253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.419253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.419253 (E_RNA) where: Base-Base interactions energy: -449.649 where: short stacking energy: -189.029 Base-Backbone interact. energy: -0.788 local terms energy: -265.981844 where: bonds (distance) C4'-P energy: -57.186 bonds (distance) P-C4' energy: -58.366 flat angles C4'-P-C4' energy: -65.006 flat angles P-C4'-P energy: -41.637 tors. eta vs tors. theta energy: -43.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -470.292732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.292732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.292732 (E_RNA) where: Base-Base interactions energy: -255.799 where: short stacking energy: -145.322 Base-Backbone interact. energy: 0.814 local terms energy: -215.307503 where: bonds (distance) C4'-P energy: -54.412 bonds (distance) P-C4' energy: -61.474 flat angles C4'-P-C4' energy: -56.436 flat angles P-C4'-P energy: -28.265 tors. eta vs tors. theta energy: -14.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -340.364538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.364538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.364538 (E_RNA) where: Base-Base interactions energy: -140.701 where: short stacking energy: -106.942 Base-Backbone interact. energy: -1.069 local terms energy: -198.594332 where: bonds (distance) C4'-P energy: -63.143 bonds (distance) P-C4' energy: -55.107 flat angles C4'-P-C4' energy: -55.286 flat angles P-C4'-P energy: -22.637 tors. eta vs tors. theta energy: -2.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -270.966813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.966813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.966813 (E_RNA) where: Base-Base interactions energy: -98.748 where: short stacking energy: -75.510 Base-Backbone interact. energy: -0.026 local terms energy: -172.191946 where: bonds (distance) C4'-P energy: -59.482 bonds (distance) P-C4' energy: -48.638 flat angles C4'-P-C4' energy: -42.122 flat angles P-C4'-P energy: -16.933 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1152.168953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.168953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.168953 (E_RNA) where: Base-Base interactions energy: -812.764 where: short stacking energy: -305.872 Base-Backbone interact. energy: -3.235 local terms energy: -336.170318 where: bonds (distance) C4'-P energy: -53.739 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -71.678 flat angles P-C4'-P energy: -59.474 tors. eta vs tors. theta energy: -89.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1092.215846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.215846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.215846 (E_RNA) where: Base-Base interactions energy: -761.414 where: short stacking energy: -311.655 Base-Backbone interact. energy: 0.138 local terms energy: -330.939045 where: bonds (distance) C4'-P energy: -52.730 bonds (distance) P-C4' energy: -69.820 flat angles C4'-P-C4' energy: -68.671 flat angles P-C4'-P energy: -46.072 tors. eta vs tors. theta energy: -93.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1065.096423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.096423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.096423 (E_RNA) where: Base-Base interactions energy: -743.436 where: short stacking energy: -321.018 Base-Backbone interact. energy: -0.910 local terms energy: -320.751086 where: bonds (distance) C4'-P energy: -66.414 bonds (distance) P-C4' energy: -61.372 flat angles C4'-P-C4' energy: -68.384 flat angles P-C4'-P energy: -39.204 tors. eta vs tors. theta energy: -85.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -938.011423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.011423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.011423 (E_RNA) where: Base-Base interactions energy: -620.956 where: short stacking energy: -277.949 Base-Backbone interact. energy: -0.240 local terms energy: -316.815602 where: bonds (distance) C4'-P energy: -51.817 bonds (distance) P-C4' energy: -64.537 flat angles C4'-P-C4' energy: -71.910 flat angles P-C4'-P energy: -49.849 tors. eta vs tors. theta energy: -78.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -891.457102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.457102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.457102 (E_RNA) where: Base-Base interactions energy: -584.742 where: short stacking energy: -264.805 Base-Backbone interact. energy: -2.003 local terms energy: -304.712554 where: bonds (distance) C4'-P energy: -54.199 bonds (distance) P-C4' energy: -61.747 flat angles C4'-P-C4' energy: -62.481 flat angles P-C4'-P energy: -43.614 tors. eta vs tors. theta energy: -82.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -821.219161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.219161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.219161 (E_RNA) where: Base-Base interactions energy: -538.470 where: short stacking energy: -257.309 Base-Backbone interact. energy: -0.485 local terms energy: -282.263829 where: bonds (distance) C4'-P energy: -66.502 bonds (distance) P-C4' energy: -62.551 flat angles C4'-P-C4' energy: -54.802 flat angles P-C4'-P energy: -29.422 tors. eta vs tors. theta energy: -68.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -662.112204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.112204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.112204 (E_RNA) where: Base-Base interactions energy: -407.777 where: short stacking energy: -196.882 Base-Backbone interact. energy: -1.728 local terms energy: -252.607136 where: bonds (distance) C4'-P energy: -41.150 bonds (distance) P-C4' energy: -64.418 flat angles C4'-P-C4' energy: -56.380 flat angles P-C4'-P energy: -43.590 tors. eta vs tors. theta energy: -47.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -504.297443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.297443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.297443 (E_RNA) where: Base-Base interactions energy: -257.811 where: short stacking energy: -132.013 Base-Backbone interact. energy: -1.070 local terms energy: -245.416179 where: bonds (distance) C4'-P energy: -58.962 bonds (distance) P-C4' energy: -63.874 flat angles C4'-P-C4' energy: -60.148 flat angles P-C4'-P energy: -33.530 tors. eta vs tors. theta energy: -28.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -339.249815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.249815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.249815 (E_RNA) where: Base-Base interactions energy: -145.294 where: short stacking energy: -90.846 Base-Backbone interact. energy: -1.657 local terms energy: -192.298529 where: bonds (distance) C4'-P energy: -64.239 bonds (distance) P-C4' energy: -58.368 flat angles C4'-P-C4' energy: -31.613 flat angles P-C4'-P energy: -28.753 tors. eta vs tors. theta energy: -9.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -271.854276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.854276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.854276 (E_RNA) where: Base-Base interactions energy: -118.214 where: short stacking energy: -87.047 Base-Backbone interact. energy: -1.490 local terms energy: -152.150177 where: bonds (distance) C4'-P energy: -52.998 bonds (distance) P-C4' energy: -52.310 flat angles C4'-P-C4' energy: -49.085 flat angles P-C4'-P energy: -8.179 tors. eta vs tors. theta energy: 10.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1150.580815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.580815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.580815 (E_RNA) where: Base-Base interactions energy: -809.826 where: short stacking energy: -318.952 Base-Backbone interact. energy: -1.554 local terms energy: -339.201385 where: bonds (distance) C4'-P energy: -63.981 bonds (distance) P-C4' energy: -63.229 flat angles C4'-P-C4' energy: -69.812 flat angles P-C4'-P energy: -53.717 tors. eta vs tors. theta energy: -88.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1085.639354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.639354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.639354 (E_RNA) where: Base-Base interactions energy: -742.392 where: short stacking energy: -307.288 Base-Backbone interact. energy: -0.970 local terms energy: -342.276698 where: bonds (distance) C4'-P energy: -65.956 bonds (distance) P-C4' energy: -65.271 flat angles C4'-P-C4' energy: -76.141 flat angles P-C4'-P energy: -46.379 tors. eta vs tors. theta energy: -88.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1071.926662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.926662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.926662 (E_RNA) where: Base-Base interactions energy: -753.884 where: short stacking energy: -323.551 Base-Backbone interact. energy: 0.381 local terms energy: -318.423304 where: bonds (distance) C4'-P energy: -56.410 bonds (distance) P-C4' energy: -58.161 flat angles C4'-P-C4' energy: -62.491 flat angles P-C4'-P energy: -49.159 tors. eta vs tors. theta energy: -92.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -911.725827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.725827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.725827 (E_RNA) where: Base-Base interactions energy: -615.128 where: short stacking energy: -257.414 Base-Backbone interact. energy: 2.271 local terms energy: -298.868807 where: bonds (distance) C4'-P energy: -58.798 bonds (distance) P-C4' energy: -55.255 flat angles C4'-P-C4' energy: -61.709 flat angles P-C4'-P energy: -44.443 tors. eta vs tors. theta energy: -78.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -841.275959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.275959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.275959 (E_RNA) where: Base-Base interactions energy: -556.979 where: short stacking energy: -251.096 Base-Backbone interact. energy: -0.232 local terms energy: -284.064402 where: bonds (distance) C4'-P energy: -51.229 bonds (distance) P-C4' energy: -54.637 flat angles C4'-P-C4' energy: -62.393 flat angles P-C4'-P energy: -53.293 tors. eta vs tors. theta energy: -62.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -830.937839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.937839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.937839 (E_RNA) where: Base-Base interactions energy: -557.912 where: short stacking energy: -248.747 Base-Backbone interact. energy: -2.723 local terms energy: -270.302565 where: bonds (distance) C4'-P energy: -43.176 bonds (distance) P-C4' energy: -58.841 flat angles C4'-P-C4' energy: -62.924 flat angles P-C4'-P energy: -35.199 tors. eta vs tors. theta energy: -70.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -658.369833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.369833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.369833 (E_RNA) where: Base-Base interactions energy: -401.825 where: short stacking energy: -209.436 Base-Backbone interact. energy: 0.082 local terms energy: -256.626944 where: bonds (distance) C4'-P energy: -47.207 bonds (distance) P-C4' energy: -57.373 flat angles C4'-P-C4' energy: -60.617 flat angles P-C4'-P energy: -37.434 tors. eta vs tors. theta energy: -53.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -499.366808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.366808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.366808 (E_RNA) where: Base-Base interactions energy: -283.249 where: short stacking energy: -143.908 Base-Backbone interact. energy: -2.023 local terms energy: -214.095096 where: bonds (distance) C4'-P energy: -46.510 bonds (distance) P-C4' energy: -66.547 flat angles C4'-P-C4' energy: -45.903 flat angles P-C4'-P energy: -26.166 tors. eta vs tors. theta energy: -28.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -291.045815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.045815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.045815 (E_RNA) where: Base-Base interactions energy: -103.258 where: short stacking energy: -71.563 Base-Backbone interact. energy: 0.238 local terms energy: -188.025566 where: bonds (distance) C4'-P energy: -53.185 bonds (distance) P-C4' energy: -63.545 flat angles C4'-P-C4' energy: -40.246 flat angles P-C4'-P energy: -34.888 tors. eta vs tors. theta energy: 3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -283.077303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.077303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.077303 (E_RNA) where: Base-Base interactions energy: -118.531 where: short stacking energy: -78.765 Base-Backbone interact. energy: -1.746 local terms energy: -162.800268 where: bonds (distance) C4'-P energy: -58.799 bonds (distance) P-C4' energy: -48.867 flat angles C4'-P-C4' energy: -44.280 flat angles P-C4'-P energy: -26.317 tors. eta vs tors. theta energy: 15.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1166.450587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.450587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.450587 (E_RNA) where: Base-Base interactions energy: -818.003 where: short stacking energy: -317.946 Base-Backbone interact. energy: -2.123 local terms energy: -346.325159 where: bonds (distance) C4'-P energy: -61.451 bonds (distance) P-C4' energy: -60.847 flat angles C4'-P-C4' energy: -76.277 flat angles P-C4'-P energy: -51.653 tors. eta vs tors. theta energy: -96.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1091.664069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.664069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.664069 (E_RNA) where: Base-Base interactions energy: -764.073 where: short stacking energy: -323.122 Base-Backbone interact. energy: -1.197 local terms energy: -326.393604 where: bonds (distance) C4'-P energy: -56.472 bonds (distance) P-C4' energy: -60.722 flat angles C4'-P-C4' energy: -70.930 flat angles P-C4'-P energy: -45.590 tors. eta vs tors. theta energy: -92.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1064.627349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.627349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.627349 (E_RNA) where: Base-Base interactions energy: -755.842 where: short stacking energy: -301.118 Base-Backbone interact. energy: -3.377 local terms energy: -305.408286 where: bonds (distance) C4'-P energy: -59.298 bonds (distance) P-C4' energy: -57.614 flat angles C4'-P-C4' energy: -63.237 flat angles P-C4'-P energy: -46.124 tors. eta vs tors. theta energy: -79.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -933.742548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.742548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.742548 (E_RNA) where: Base-Base interactions energy: -617.198 where: short stacking energy: -280.720 Base-Backbone interact. energy: -1.801 local terms energy: -314.743668 where: bonds (distance) C4'-P energy: -55.998 bonds (distance) P-C4' energy: -63.714 flat angles C4'-P-C4' energy: -70.992 flat angles P-C4'-P energy: -41.675 tors. eta vs tors. theta energy: -82.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -849.136593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.136593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.136593 (E_RNA) where: Base-Base interactions energy: -551.503 where: short stacking energy: -254.464 Base-Backbone interact. energy: -3.231 local terms energy: -294.402495 where: bonds (distance) C4'-P energy: -64.747 bonds (distance) P-C4' energy: -56.690 flat angles C4'-P-C4' energy: -62.471 flat angles P-C4'-P energy: -42.523 tors. eta vs tors. theta energy: -67.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -864.021311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.021311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.021311 (E_RNA) where: Base-Base interactions energy: -585.878 where: short stacking energy: -260.369 Base-Backbone interact. energy: -2.578 local terms energy: -275.565924 where: bonds (distance) C4'-P energy: -44.927 bonds (distance) P-C4' energy: -63.974 flat angles C4'-P-C4' energy: -61.060 flat angles P-C4'-P energy: -33.957 tors. eta vs tors. theta energy: -71.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -654.828532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.828532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.828532 (E_RNA) where: Base-Base interactions energy: -424.901 where: short stacking energy: -200.008 Base-Backbone interact. energy: -2.953 local terms energy: -226.974557 where: bonds (distance) C4'-P energy: -41.776 bonds (distance) P-C4' energy: -58.979 flat angles C4'-P-C4' energy: -64.517 flat angles P-C4'-P energy: -22.401 tors. eta vs tors. theta energy: -39.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -550.672201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.672201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.672201 (E_RNA) where: Base-Base interactions energy: -324.819 where: short stacking energy: -199.846 Base-Backbone interact. energy: -1.649 local terms energy: -224.204364 where: bonds (distance) C4'-P energy: -64.372 bonds (distance) P-C4' energy: -47.685 flat angles C4'-P-C4' energy: -40.110 flat angles P-C4'-P energy: -28.976 tors. eta vs tors. theta energy: -43.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -291.287043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.287043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.287043 (E_RNA) where: Base-Base interactions energy: -104.946 where: short stacking energy: -88.108 Base-Backbone interact. energy: -2.049 local terms energy: -184.292261 where: bonds (distance) C4'-P energy: -46.006 bonds (distance) P-C4' energy: -53.283 flat angles C4'-P-C4' energy: -53.030 flat angles P-C4'-P energy: -29.082 tors. eta vs tors. theta energy: -2.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -265.036079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.036079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.036079 (E_RNA) where: Base-Base interactions energy: -96.077 where: short stacking energy: -77.640 Base-Backbone interact. energy: 2.348 local terms energy: -171.307237 where: bonds (distance) C4'-P energy: -30.891 bonds (distance) P-C4' energy: -70.184 flat angles C4'-P-C4' energy: -50.379 flat angles P-C4'-P energy: -31.342 tors. eta vs tors. theta energy: 11.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1158.824291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.824291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.824291 (E_RNA) where: Base-Base interactions energy: -833.256 where: short stacking energy: -308.146 Base-Backbone interact. energy: -3.274 local terms energy: -322.294396 where: bonds (distance) C4'-P energy: -59.360 bonds (distance) P-C4' energy: -66.211 flat angles C4'-P-C4' energy: -62.225 flat angles P-C4'-P energy: -43.303 tors. eta vs tors. theta energy: -91.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1088.384122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.384122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.384122 (E_RNA) where: Base-Base interactions energy: -756.768 where: short stacking energy: -318.322 Base-Backbone interact. energy: -1.506 local terms energy: -330.110123 where: bonds (distance) C4'-P energy: -64.286 bonds (distance) P-C4' energy: -65.070 flat angles C4'-P-C4' energy: -66.421 flat angles P-C4'-P energy: -37.771 tors. eta vs tors. theta energy: -96.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1060.983033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.983033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.983033 (E_RNA) where: Base-Base interactions energy: -747.373 where: short stacking energy: -326.091 Base-Backbone interact. energy: -1.179 local terms energy: -312.431251 where: bonds (distance) C4'-P energy: -46.944 bonds (distance) P-C4' energy: -64.444 flat angles C4'-P-C4' energy: -63.550 flat angles P-C4'-P energy: -47.456 tors. eta vs tors. theta energy: -90.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -920.193007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.193007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.193007 (E_RNA) where: Base-Base interactions energy: -605.826 where: short stacking energy: -273.572 Base-Backbone interact. energy: -3.308 local terms energy: -311.059262 where: bonds (distance) C4'-P energy: -58.949 bonds (distance) P-C4' energy: -64.148 flat angles C4'-P-C4' energy: -70.880 flat angles P-C4'-P energy: -37.189 tors. eta vs tors. theta energy: -79.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -911.863413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.863413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.863413 (E_RNA) where: Base-Base interactions energy: -611.575 where: short stacking energy: -259.252 Base-Backbone interact. energy: -0.972 local terms energy: -299.316497 where: bonds (distance) C4'-P energy: -55.747 bonds (distance) P-C4' energy: -67.472 flat angles C4'-P-C4' energy: -68.015 flat angles P-C4'-P energy: -38.972 tors. eta vs tors. theta energy: -69.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -822.501239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.501239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.501239 (E_RNA) where: Base-Base interactions energy: -541.011 where: short stacking energy: -254.140 Base-Backbone interact. energy: 3.137 local terms energy: -284.627697 where: bonds (distance) C4'-P energy: -58.753 bonds (distance) P-C4' energy: -48.914 flat angles C4'-P-C4' energy: -69.835 flat angles P-C4'-P energy: -36.241 tors. eta vs tors. theta energy: -70.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -630.299771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.299771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.299771 (E_RNA) where: Base-Base interactions energy: -372.131 where: short stacking energy: -161.928 Base-Backbone interact. energy: -2.717 local terms energy: -255.451338 where: bonds (distance) C4'-P energy: -60.255 bonds (distance) P-C4' energy: -72.626 flat angles C4'-P-C4' energy: -58.407 flat angles P-C4'-P energy: -34.778 tors. eta vs tors. theta energy: -29.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -463.392152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.392152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.392152 (E_RNA) where: Base-Base interactions energy: -262.184 where: short stacking energy: -134.055 Base-Backbone interact. energy: 2.385 local terms energy: -203.593602 where: bonds (distance) C4'-P energy: -59.089 bonds (distance) P-C4' energy: -51.891 flat angles C4'-P-C4' energy: -50.444 flat angles P-C4'-P energy: -23.339 tors. eta vs tors. theta energy: -18.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -290.499430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.499430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.499430 (E_RNA) where: Base-Base interactions energy: -101.753 where: short stacking energy: -84.700 Base-Backbone interact. energy: -1.787 local terms energy: -186.959251 where: bonds (distance) C4'-P energy: -52.351 bonds (distance) P-C4' energy: -54.819 flat angles C4'-P-C4' energy: -49.360 flat angles P-C4'-P energy: -34.727 tors. eta vs tors. theta energy: 4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -297.934309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.934309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.934309 (E_RNA) where: Base-Base interactions energy: -117.917 where: short stacking energy: -104.004 Base-Backbone interact. energy: -2.655 local terms energy: -177.362472 where: bonds (distance) C4'-P energy: -56.546 bonds (distance) P-C4' energy: -49.077 flat angles C4'-P-C4' energy: -44.694 flat angles P-C4'-P energy: -24.928 tors. eta vs tors. theta energy: -2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1162.348199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.348199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.348199 (E_RNA) where: Base-Base interactions energy: -815.309 where: short stacking energy: -300.871 Base-Backbone interact. energy: -1.304 local terms energy: -345.735697 where: bonds (distance) C4'-P energy: -63.378 bonds (distance) P-C4' energy: -67.063 flat angles C4'-P-C4' energy: -76.966 flat angles P-C4'-P energy: -48.908 tors. eta vs tors. theta energy: -89.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1099.625645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.625645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.625645 (E_RNA) where: Base-Base interactions energy: -757.480 where: short stacking energy: -309.282 Base-Backbone interact. energy: -0.048 local terms energy: -342.097519 where: bonds (distance) C4'-P energy: -67.743 bonds (distance) P-C4' energy: -55.163 flat angles C4'-P-C4' energy: -71.446 flat angles P-C4'-P energy: -54.856 tors. eta vs tors. theta energy: -92.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1049.210997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.210997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.210997 (E_RNA) where: Base-Base interactions energy: -722.513 where: short stacking energy: -281.494 Base-Backbone interact. energy: -3.424 local terms energy: -323.273833 where: bonds (distance) C4'-P energy: -61.058 bonds (distance) P-C4' energy: -68.256 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -39.760 tors. eta vs tors. theta energy: -82.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -970.975120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.975120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.975120 (E_RNA) where: Base-Base interactions energy: -664.081 where: short stacking energy: -299.283 Base-Backbone interact. energy: 4.325 local terms energy: -311.219185 where: bonds (distance) C4'-P energy: -60.635 bonds (distance) P-C4' energy: -55.116 flat angles C4'-P-C4' energy: -65.178 flat angles P-C4'-P energy: -50.680 tors. eta vs tors. theta energy: -79.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -918.664879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.664879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.664879 (E_RNA) where: Base-Base interactions energy: -608.994 where: short stacking energy: -271.000 Base-Backbone interact. energy: -0.381 local terms energy: -309.289855 where: bonds (distance) C4'-P energy: -59.798 bonds (distance) P-C4' energy: -68.219 flat angles C4'-P-C4' energy: -58.890 flat angles P-C4'-P energy: -38.069 tors. eta vs tors. theta energy: -84.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -808.159315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.159315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.159315 (E_RNA) where: Base-Base interactions energy: -538.296 where: short stacking energy: -256.702 Base-Backbone interact. energy: 1.172 local terms energy: -271.035344 where: bonds (distance) C4'-P energy: -55.234 bonds (distance) P-C4' energy: -48.117 flat angles C4'-P-C4' energy: -61.622 flat angles P-C4'-P energy: -43.006 tors. eta vs tors. theta energy: -63.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -634.960013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.960013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.960013 (E_RNA) where: Base-Base interactions energy: -382.291 where: short stacking energy: -175.583 Base-Backbone interact. energy: -0.146 local terms energy: -252.522474 where: bonds (distance) C4'-P energy: -51.411 bonds (distance) P-C4' energy: -56.474 flat angles C4'-P-C4' energy: -60.885 flat angles P-C4'-P energy: -42.281 tors. eta vs tors. theta energy: -41.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -499.809009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.809009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.809009 (E_RNA) where: Base-Base interactions energy: -267.439 where: short stacking energy: -144.788 Base-Backbone interact. energy: -0.405 local terms energy: -231.964625 where: bonds (distance) C4'-P energy: -50.401 bonds (distance) P-C4' energy: -53.846 flat angles C4'-P-C4' energy: -58.247 flat angles P-C4'-P energy: -36.875 tors. eta vs tors. theta energy: -32.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -288.119329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.119329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.119329 (E_RNA) where: Base-Base interactions energy: -99.950 where: short stacking energy: -64.391 Base-Backbone interact. energy: 1.327 local terms energy: -189.496715 where: bonds (distance) C4'-P energy: -57.631 bonds (distance) P-C4' energy: -50.402 flat angles C4'-P-C4' energy: -53.786 flat angles P-C4'-P energy: -36.577 tors. eta vs tors. theta energy: 8.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -269.644752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.644752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.644752 (E_RNA) where: Base-Base interactions energy: -101.181 where: short stacking energy: -81.785 Base-Backbone interact. energy: 4.509 local terms energy: -172.973125 where: bonds (distance) C4'-P energy: -53.645 bonds (distance) P-C4' energy: -63.712 flat angles C4'-P-C4' energy: -52.593 flat angles P-C4'-P energy: -13.023 tors. eta vs tors. theta energy: 10.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1165.552586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.552586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.552586 (E_RNA) where: Base-Base interactions energy: -851.127 where: short stacking energy: -320.957 Base-Backbone interact. energy: -2.690 local terms energy: -311.735377 where: bonds (distance) C4'-P energy: -66.507 bonds (distance) P-C4' energy: -54.209 flat angles C4'-P-C4' energy: -68.118 flat angles P-C4'-P energy: -36.176 tors. eta vs tors. theta energy: -86.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1072.907365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.907365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.907365 (E_RNA) where: Base-Base interactions energy: -749.514 where: short stacking energy: -312.568 Base-Backbone interact. energy: 0.051 local terms energy: -323.445147 where: bonds (distance) C4'-P energy: -56.695 bonds (distance) P-C4' energy: -64.223 flat angles C4'-P-C4' energy: -67.960 flat angles P-C4'-P energy: -46.667 tors. eta vs tors. theta energy: -87.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1074.823172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.823172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.823172 (E_RNA) where: Base-Base interactions energy: -742.401 where: short stacking energy: -300.980 Base-Backbone interact. energy: -1.757 local terms energy: -330.664963 where: bonds (distance) C4'-P energy: -65.296 bonds (distance) P-C4' energy: -67.643 flat angles C4'-P-C4' energy: -67.426 flat angles P-C4'-P energy: -46.621 tors. eta vs tors. theta energy: -83.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -940.105045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.105045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.105045 (E_RNA) where: Base-Base interactions energy: -632.104 where: short stacking energy: -275.235 Base-Backbone interact. energy: -2.338 local terms energy: -305.662718 where: bonds (distance) C4'-P energy: -56.404 bonds (distance) P-C4' energy: -57.753 flat angles C4'-P-C4' energy: -71.708 flat angles P-C4'-P energy: -49.481 tors. eta vs tors. theta energy: -70.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -910.470409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.470409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.470409 (E_RNA) where: Base-Base interactions energy: -602.559 where: short stacking energy: -269.466 Base-Backbone interact. energy: 1.917 local terms energy: -309.828132 where: bonds (distance) C4'-P energy: -50.578 bonds (distance) P-C4' energy: -66.568 flat angles C4'-P-C4' energy: -67.916 flat angles P-C4'-P energy: -45.000 tors. eta vs tors. theta energy: -79.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -821.420625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.420625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.420625 (E_RNA) where: Base-Base interactions energy: -526.551 where: short stacking energy: -246.006 Base-Backbone interact. energy: -2.381 local terms energy: -292.488730 where: bonds (distance) C4'-P energy: -63.049 bonds (distance) P-C4' energy: -58.615 flat angles C4'-P-C4' energy: -76.150 flat angles P-C4'-P energy: -37.477 tors. eta vs tors. theta energy: -57.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -661.306563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.306563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.306563 (E_RNA) where: Base-Base interactions energy: -414.700 where: short stacking energy: -192.143 Base-Backbone interact. energy: -1.466 local terms energy: -245.140473 where: bonds (distance) C4'-P energy: -53.790 bonds (distance) P-C4' energy: -56.095 flat angles C4'-P-C4' energy: -53.930 flat angles P-C4'-P energy: -37.797 tors. eta vs tors. theta energy: -43.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -495.013050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.013050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.013050 (E_RNA) where: Base-Base interactions energy: -277.608 where: short stacking energy: -139.439 Base-Backbone interact. energy: -1.121 local terms energy: -216.284470 where: bonds (distance) C4'-P energy: -55.301 bonds (distance) P-C4' energy: -59.166 flat angles C4'-P-C4' energy: -51.489 flat angles P-C4'-P energy: -30.540 tors. eta vs tors. theta energy: -19.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -294.526950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.526950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.526950 (E_RNA) where: Base-Base interactions energy: -107.240 where: short stacking energy: -93.467 Base-Backbone interact. energy: -1.010 local terms energy: -186.277240 where: bonds (distance) C4'-P energy: -49.834 bonds (distance) P-C4' energy: -53.069 flat angles C4'-P-C4' energy: -48.197 flat angles P-C4'-P energy: -16.015 tors. eta vs tors. theta energy: -19.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -266.285809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.285809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.285809 (E_RNA) where: Base-Base interactions energy: -74.163 where: short stacking energy: -67.566 Base-Backbone interact. energy: -2.337 local terms energy: -189.786392 where: bonds (distance) C4'-P energy: -56.482 bonds (distance) P-C4' energy: -63.487 flat angles C4'-P-C4' energy: -46.506 flat angles P-C4'-P energy: -32.157 tors. eta vs tors. theta energy: 8.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1173.815697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.815697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.815697 (E_RNA) where: Base-Base interactions energy: -834.465 where: short stacking energy: -310.803 Base-Backbone interact. energy: 4.021 local terms energy: -343.371348 where: bonds (distance) C4'-P energy: -67.917 bonds (distance) P-C4' energy: -64.337 flat angles C4'-P-C4' energy: -70.303 flat angles P-C4'-P energy: -51.759 tors. eta vs tors. theta energy: -89.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1068.731089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.731089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.731089 (E_RNA) where: Base-Base interactions energy: -733.653 where: short stacking energy: -322.054 Base-Backbone interact. energy: 0.603 local terms energy: -335.681840 where: bonds (distance) C4'-P energy: -55.308 bonds (distance) P-C4' energy: -69.105 flat angles C4'-P-C4' energy: -72.151 flat angles P-C4'-P energy: -47.354 tors. eta vs tors. theta energy: -91.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1059.561677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.561677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.561677 (E_RNA) where: Base-Base interactions energy: -747.932 where: short stacking energy: -308.303 Base-Backbone interact. energy: -1.770 local terms energy: -309.858999 where: bonds (distance) C4'-P energy: -54.660 bonds (distance) P-C4' energy: -60.846 flat angles C4'-P-C4' energy: -61.277 flat angles P-C4'-P energy: -50.295 tors. eta vs tors. theta energy: -82.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -930.124961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.124961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.124961 (E_RNA) where: Base-Base interactions energy: -631.236 where: short stacking energy: -289.896 Base-Backbone interact. energy: 0.032 local terms energy: -298.921116 where: bonds (distance) C4'-P energy: -58.344 bonds (distance) P-C4' energy: -64.368 flat angles C4'-P-C4' energy: -65.041 flat angles P-C4'-P energy: -29.638 tors. eta vs tors. theta energy: -81.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -892.344393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.344393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.344393 (E_RNA) where: Base-Base interactions energy: -591.841 where: short stacking energy: -263.917 Base-Backbone interact. energy: -1.789 local terms energy: -298.714201 where: bonds (distance) C4'-P energy: -60.729 bonds (distance) P-C4' energy: -61.501 flat angles C4'-P-C4' energy: -64.659 flat angles P-C4'-P energy: -39.365 tors. eta vs tors. theta energy: -72.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -806.439540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.439540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.439540 (E_RNA) where: Base-Base interactions energy: -536.049 where: short stacking energy: -251.288 Base-Backbone interact. energy: -3.610 local terms energy: -266.780811 where: bonds (distance) C4'-P energy: -58.924 bonds (distance) P-C4' energy: -63.608 flat angles C4'-P-C4' energy: -56.520 flat angles P-C4'-P energy: -35.889 tors. eta vs tors. theta energy: -51.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -679.092603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.092603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.092603 (E_RNA) where: Base-Base interactions energy: -415.463 where: short stacking energy: -181.067 Base-Backbone interact. energy: -1.494 local terms energy: -262.135329 where: bonds (distance) C4'-P energy: -59.681 bonds (distance) P-C4' energy: -52.723 flat angles C4'-P-C4' energy: -57.090 flat angles P-C4'-P energy: -43.934 tors. eta vs tors. theta energy: -48.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -499.181417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.181417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.181417 (E_RNA) where: Base-Base interactions energy: -280.864 where: short stacking energy: -144.933 Base-Backbone interact. energy: 2.294 local terms energy: -220.611618 where: bonds (distance) C4'-P energy: -59.071 bonds (distance) P-C4' energy: -59.645 flat angles C4'-P-C4' energy: -48.410 flat angles P-C4'-P energy: -37.373 tors. eta vs tors. theta energy: -16.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -294.458189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.458189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.458189 (E_RNA) where: Base-Base interactions energy: -101.088 where: short stacking energy: -85.997 Base-Backbone interact. energy: -0.975 local terms energy: -192.395739 where: bonds (distance) C4'-P energy: -61.458 bonds (distance) P-C4' energy: -60.380 flat angles C4'-P-C4' energy: -52.583 flat angles P-C4'-P energy: -25.200 tors. eta vs tors. theta energy: 7.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -279.692396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.692396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.692396 (E_RNA) where: Base-Base interactions energy: -99.976 where: short stacking energy: -87.322 Base-Backbone interact. energy: 3.125 local terms energy: -182.841666 where: bonds (distance) C4'-P energy: -58.124 bonds (distance) P-C4' energy: -60.682 flat angles C4'-P-C4' energy: -40.916 flat angles P-C4'-P energy: -32.887 tors. eta vs tors. theta energy: 9.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1155.656268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.656268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.656268 (E_RNA) where: Base-Base interactions energy: -817.541 where: short stacking energy: -321.050 Base-Backbone interact. energy: -0.669 local terms energy: -337.446388 where: bonds (distance) C4'-P energy: -67.050 bonds (distance) P-C4' energy: -59.708 flat angles C4'-P-C4' energy: -71.255 flat angles P-C4'-P energy: -51.885 tors. eta vs tors. theta energy: -87.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1080.870047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.870047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.870047 (E_RNA) where: Base-Base interactions energy: -769.224 where: short stacking energy: -320.502 Base-Backbone interact. energy: -0.121 local terms energy: -311.524958 where: bonds (distance) C4'-P energy: -60.861 bonds (distance) P-C4' energy: -49.675 flat angles C4'-P-C4' energy: -68.355 flat angles P-C4'-P energy: -48.738 tors. eta vs tors. theta energy: -83.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1068.759133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.759133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.759133 (E_RNA) where: Base-Base interactions energy: -759.081 where: short stacking energy: -315.604 Base-Backbone interact. energy: -2.663 local terms energy: -307.014828 where: bonds (distance) C4'-P energy: -59.538 bonds (distance) P-C4' energy: -52.594 flat angles C4'-P-C4' energy: -69.886 flat angles P-C4'-P energy: -31.626 tors. eta vs tors. theta energy: -93.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -937.404397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.404397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.404397 (E_RNA) where: Base-Base interactions energy: -637.162 where: short stacking energy: -292.973 Base-Backbone interact. energy: -0.305 local terms energy: -299.937630 where: bonds (distance) C4'-P energy: -61.494 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -66.070 flat angles P-C4'-P energy: -36.669 tors. eta vs tors. theta energy: -75.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -824.839089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.839089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.839089 (E_RNA) where: Base-Base interactions energy: -538.152 where: short stacking energy: -251.418 Base-Backbone interact. energy: 0.135 local terms energy: -286.821326 where: bonds (distance) C4'-P energy: -62.441 bonds (distance) P-C4' energy: -58.906 flat angles C4'-P-C4' energy: -55.191 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: -67.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -832.924915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.924915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.924915 (E_RNA) where: Base-Base interactions energy: -563.494 where: short stacking energy: -240.631 Base-Backbone interact. energy: 2.909 local terms energy: -272.339692 where: bonds (distance) C4'-P energy: -52.371 bonds (distance) P-C4' energy: -60.350 flat angles C4'-P-C4' energy: -70.031 flat angles P-C4'-P energy: -32.279 tors. eta vs tors. theta energy: -57.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -653.803366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.803366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.803366 (E_RNA) where: Base-Base interactions energy: -391.815 where: short stacking energy: -189.790 Base-Backbone interact. energy: -0.578 local terms energy: -261.410497 where: bonds (distance) C4'-P energy: -59.169 bonds (distance) P-C4' energy: -50.075 flat angles C4'-P-C4' energy: -63.362 flat angles P-C4'-P energy: -45.824 tors. eta vs tors. theta energy: -42.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -490.133571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.133571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.133571 (E_RNA) where: Base-Base interactions energy: -262.379 where: short stacking energy: -144.430 Base-Backbone interact. energy: 1.566 local terms energy: -229.320766 where: bonds (distance) C4'-P energy: -53.949 bonds (distance) P-C4' energy: -67.800 flat angles C4'-P-C4' energy: -53.477 flat angles P-C4'-P energy: -30.575 tors. eta vs tors. theta energy: -23.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -283.814172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.814172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.814172 (E_RNA) where: Base-Base interactions energy: -95.034 where: short stacking energy: -75.081 Base-Backbone interact. energy: -1.225 local terms energy: -187.554836 where: bonds (distance) C4'-P energy: -57.048 bonds (distance) P-C4' energy: -56.915 flat angles C4'-P-C4' energy: -53.015 flat angles P-C4'-P energy: -27.254 tors. eta vs tors. theta energy: 6.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -294.914921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.914921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.914921 (E_RNA) where: Base-Base interactions energy: -115.729 where: short stacking energy: -85.488 Base-Backbone interact. energy: -0.758 local terms energy: -178.428546 where: bonds (distance) C4'-P energy: -47.432 bonds (distance) P-C4' energy: -60.234 flat angles C4'-P-C4' energy: -50.494 flat angles P-C4'-P energy: -21.759 tors. eta vs tors. theta energy: 1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1147.082175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.082175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.082175 (E_RNA) where: Base-Base interactions energy: -819.914 where: short stacking energy: -329.097 Base-Backbone interact. energy: -1.623 local terms energy: -325.545525 where: bonds (distance) C4'-P energy: -65.906 bonds (distance) P-C4' energy: -60.247 flat angles C4'-P-C4' energy: -72.265 flat angles P-C4'-P energy: -42.397 tors. eta vs tors. theta energy: -84.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1075.386490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.386490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.386490 (E_RNA) where: Base-Base interactions energy: -742.758 where: short stacking energy: -312.140 Base-Backbone interact. energy: -1.254 local terms energy: -331.373691 where: bonds (distance) C4'-P energy: -60.864 bonds (distance) P-C4' energy: -70.475 flat angles C4'-P-C4' energy: -70.316 flat angles P-C4'-P energy: -44.371 tors. eta vs tors. theta energy: -85.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1078.510401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.510401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.510401 (E_RNA) where: Base-Base interactions energy: -736.386 where: short stacking energy: -306.467 Base-Backbone interact. energy: -1.686 local terms energy: -340.438393 where: bonds (distance) C4'-P energy: -63.044 bonds (distance) P-C4' energy: -62.703 flat angles C4'-P-C4' energy: -71.010 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: -96.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -928.490145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.490145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.490145 (E_RNA) where: Base-Base interactions energy: -626.076 where: short stacking energy: -265.770 Base-Backbone interact. energy: -1.105 local terms energy: -301.309761 where: bonds (distance) C4'-P energy: -54.729 bonds (distance) P-C4' energy: -59.830 flat angles C4'-P-C4' energy: -64.603 flat angles P-C4'-P energy: -39.677 tors. eta vs tors. theta energy: -82.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -851.873628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.873628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.873628 (E_RNA) where: Base-Base interactions energy: -566.062 where: short stacking energy: -266.848 Base-Backbone interact. energy: 5.459 local terms energy: -291.270212 where: bonds (distance) C4'-P energy: -65.008 bonds (distance) P-C4' energy: -53.267 flat angles C4'-P-C4' energy: -66.828 flat angles P-C4'-P energy: -33.135 tors. eta vs tors. theta energy: -73.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -812.669265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.669265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.669265 (E_RNA) where: Base-Base interactions energy: -530.648 where: short stacking energy: -234.230 Base-Backbone interact. energy: -0.726 local terms energy: -281.295165 where: bonds (distance) C4'-P energy: -51.028 bonds (distance) P-C4' energy: -57.776 flat angles C4'-P-C4' energy: -70.777 flat angles P-C4'-P energy: -47.718 tors. eta vs tors. theta energy: -53.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -620.050761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.050761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.050761 (E_RNA) where: Base-Base interactions energy: -367.857 where: short stacking energy: -175.468 Base-Backbone interact. energy: -1.931 local terms energy: -250.262570 where: bonds (distance) C4'-P energy: -62.323 bonds (distance) P-C4' energy: -67.140 flat angles C4'-P-C4' energy: -50.557 flat angles P-C4'-P energy: -33.828 tors. eta vs tors. theta energy: -36.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -525.727355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.727355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.727355 (E_RNA) where: Base-Base interactions energy: -313.540 where: short stacking energy: -166.935 Base-Backbone interact. energy: -0.539 local terms energy: -211.648806 where: bonds (distance) C4'-P energy: -46.942 bonds (distance) P-C4' energy: -61.098 flat angles C4'-P-C4' energy: -50.704 flat angles P-C4'-P energy: -25.892 tors. eta vs tors. theta energy: -27.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -284.418709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.418709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.418709 (E_RNA) where: Base-Base interactions energy: -105.960 where: short stacking energy: -78.372 Base-Backbone interact. energy: 0.008 local terms energy: -178.466521 where: bonds (distance) C4'-P energy: -56.983 bonds (distance) P-C4' energy: -50.346 flat angles C4'-P-C4' energy: -45.246 flat angles P-C4'-P energy: -24.567 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -264.171584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.171584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.171584 (E_RNA) where: Base-Base interactions energy: -95.879 where: short stacking energy: -83.678 Base-Backbone interact. energy: -0.977 local terms energy: -167.315336 where: bonds (distance) C4'-P energy: -42.593 bonds (distance) P-C4' energy: -45.707 flat angles C4'-P-C4' energy: -46.270 flat angles P-C4'-P energy: -37.766 tors. eta vs tors. theta energy: 5.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1144.117950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.117950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.117950 (E_RNA) where: Base-Base interactions energy: -793.926 where: short stacking energy: -312.131 Base-Backbone interact. energy: -0.915 local terms energy: -349.276878 where: bonds (distance) C4'-P energy: -58.644 bonds (distance) P-C4' energy: -74.342 flat angles C4'-P-C4' energy: -76.687 flat angles P-C4'-P energy: -50.849 tors. eta vs tors. theta energy: -88.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1077.134051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.134051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.134051 (E_RNA) where: Base-Base interactions energy: -743.328 where: short stacking energy: -325.243 Base-Backbone interact. energy: 0.819 local terms energy: -334.624995 where: bonds (distance) C4'-P energy: -62.357 bonds (distance) P-C4' energy: -64.818 flat angles C4'-P-C4' energy: -70.212 flat angles P-C4'-P energy: -49.629 tors. eta vs tors. theta energy: -87.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1062.008012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.008012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.008012 (E_RNA) where: Base-Base interactions energy: -746.242 where: short stacking energy: -311.833 Base-Backbone interact. energy: 1.214 local terms energy: -316.979599 where: bonds (distance) C4'-P energy: -59.494 bonds (distance) P-C4' energy: -53.455 flat angles C4'-P-C4' energy: -68.891 flat angles P-C4'-P energy: -42.818 tors. eta vs tors. theta energy: -92.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -947.383260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.383260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.383260 (E_RNA) where: Base-Base interactions energy: -638.932 where: short stacking energy: -271.251 Base-Backbone interact. energy: -2.787 local terms energy: -305.663749 where: bonds (distance) C4'-P energy: -51.388 bonds (distance) P-C4' energy: -60.715 flat angles C4'-P-C4' energy: -66.802 flat angles P-C4'-P energy: -43.203 tors. eta vs tors. theta energy: -83.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -813.149741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.149741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.149741 (E_RNA) where: Base-Base interactions energy: -525.394 where: short stacking energy: -252.795 Base-Backbone interact. energy: -1.565 local terms energy: -286.189847 where: bonds (distance) C4'-P energy: -58.846 bonds (distance) P-C4' energy: -59.428 flat angles C4'-P-C4' energy: -59.399 flat angles P-C4'-P energy: -43.523 tors. eta vs tors. theta energy: -64.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -797.707077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.707077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.707077 (E_RNA) where: Base-Base interactions energy: -526.067 where: short stacking energy: -234.114 Base-Backbone interact. energy: -0.564 local terms energy: -271.075144 where: bonds (distance) C4'-P energy: -46.110 bonds (distance) P-C4' energy: -62.164 flat angles C4'-P-C4' energy: -61.606 flat angles P-C4'-P energy: -36.055 tors. eta vs tors. theta energy: -65.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -623.842825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.842825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.842825 (E_RNA) where: Base-Base interactions energy: -373.232 where: short stacking energy: -168.820 Base-Backbone interact. energy: -0.055 local terms energy: -250.555750 where: bonds (distance) C4'-P energy: -61.565 bonds (distance) P-C4' energy: -64.514 flat angles C4'-P-C4' energy: -46.905 flat angles P-C4'-P energy: -37.918 tors. eta vs tors. theta energy: -39.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -507.343468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.343468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.343468 (E_RNA) where: Base-Base interactions energy: -282.957 where: short stacking energy: -135.867 Base-Backbone interact. energy: 0.101 local terms energy: -224.487596 where: bonds (distance) C4'-P energy: -51.441 bonds (distance) P-C4' energy: -68.183 flat angles C4'-P-C4' energy: -51.020 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: -20.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -277.769562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.769562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.769562 (E_RNA) where: Base-Base interactions energy: -86.844 where: short stacking energy: -77.177 Base-Backbone interact. energy: 1.416 local terms energy: -192.341420 where: bonds (distance) C4'-P energy: -56.590 bonds (distance) P-C4' energy: -61.282 flat angles C4'-P-C4' energy: -52.604 flat angles P-C4'-P energy: -30.689 tors. eta vs tors. theta energy: 8.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -283.513878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.513878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.513878 (E_RNA) where: Base-Base interactions energy: -95.939 where: short stacking energy: -73.128 Base-Backbone interact. energy: -1.141 local terms energy: -186.434165 where: bonds (distance) C4'-P energy: -59.722 bonds (distance) P-C4' energy: -65.477 flat angles C4'-P-C4' energy: -48.198 flat angles P-C4'-P energy: -28.443 tors. eta vs tors. theta energy: 15.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1137.229136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.229136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.229136 (E_RNA) where: Base-Base interactions energy: -802.532 where: short stacking energy: -317.116 Base-Backbone interact. energy: 1.028 local terms energy: -335.725179 where: bonds (distance) C4'-P energy: -67.136 bonds (distance) P-C4' energy: -61.092 flat angles C4'-P-C4' energy: -69.990 flat angles P-C4'-P energy: -52.459 tors. eta vs tors. theta energy: -85.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1087.650736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.650736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.650736 (E_RNA) where: Base-Base interactions energy: -751.478 where: short stacking energy: -318.157 Base-Backbone interact. energy: 3.859 local terms energy: -340.032050 where: bonds (distance) C4'-P energy: -65.454 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -74.243 flat angles P-C4'-P energy: -45.972 tors. eta vs tors. theta energy: -91.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1047.138777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.138777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.138777 (E_RNA) where: Base-Base interactions energy: -720.251 where: short stacking energy: -288.619 Base-Backbone interact. energy: -2.206 local terms energy: -324.681613 where: bonds (distance) C4'-P energy: -65.757 bonds (distance) P-C4' energy: -60.970 flat angles C4'-P-C4' energy: -62.950 flat angles P-C4'-P energy: -45.799 tors. eta vs tors. theta energy: -89.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -943.971311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.971311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.971311 (E_RNA) where: Base-Base interactions energy: -635.563 where: short stacking energy: -265.503 Base-Backbone interact. energy: -2.443 local terms energy: -305.965054 where: bonds (distance) C4'-P energy: -62.096 bonds (distance) P-C4' energy: -56.794 flat angles C4'-P-C4' energy: -63.347 flat angles P-C4'-P energy: -43.522 tors. eta vs tors. theta energy: -80.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -818.850689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.850689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.850689 (E_RNA) where: Base-Base interactions energy: -529.347 where: short stacking energy: -243.576 Base-Backbone interact. energy: -0.603 local terms energy: -288.900996 where: bonds (distance) C4'-P energy: -63.367 bonds (distance) P-C4' energy: -50.059 flat angles C4'-P-C4' energy: -68.234 flat angles P-C4'-P energy: -47.559 tors. eta vs tors. theta energy: -59.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -836.924057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.924057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.924057 (E_RNA) where: Base-Base interactions energy: -565.140 where: short stacking energy: -235.072 Base-Backbone interact. energy: -1.147 local terms energy: -270.636505 where: bonds (distance) C4'-P energy: -51.322 bonds (distance) P-C4' energy: -56.720 flat angles C4'-P-C4' energy: -64.776 flat angles P-C4'-P energy: -40.905 tors. eta vs tors. theta energy: -56.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -661.724348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.724348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.724348 (E_RNA) where: Base-Base interactions energy: -409.026 where: short stacking energy: -181.283 Base-Backbone interact. energy: -2.333 local terms energy: -250.364616 where: bonds (distance) C4'-P energy: -56.085 bonds (distance) P-C4' energy: -53.300 flat angles C4'-P-C4' energy: -65.862 flat angles P-C4'-P energy: -35.651 tors. eta vs tors. theta energy: -39.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -489.109322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.109322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.109322 (E_RNA) where: Base-Base interactions energy: -284.247 where: short stacking energy: -144.316 Base-Backbone interact. energy: -1.316 local terms energy: -203.546175 where: bonds (distance) C4'-P energy: -56.334 bonds (distance) P-C4' energy: -60.407 flat angles C4'-P-C4' energy: -47.084 flat angles P-C4'-P energy: -25.612 tors. eta vs tors. theta energy: -14.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -305.178407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.178407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.178407 (E_RNA) where: Base-Base interactions energy: -138.912 where: short stacking energy: -100.205 Base-Backbone interact. energy: -0.046 local terms energy: -166.220601 where: bonds (distance) C4'-P energy: -47.672 bonds (distance) P-C4' energy: -65.605 flat angles C4'-P-C4' energy: -38.476 flat angles P-C4'-P energy: -17.908 tors. eta vs tors. theta energy: 3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -273.656503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.656503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.656503 (E_RNA) where: Base-Base interactions energy: -84.101 where: short stacking energy: -79.112 Base-Backbone interact. energy: -1.372 local terms energy: -188.183127 where: bonds (distance) C4'-P energy: -48.563 bonds (distance) P-C4' energy: -65.835 flat angles C4'-P-C4' energy: -46.366 flat angles P-C4'-P energy: -25.804 tors. eta vs tors. theta energy: -1.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1148.321180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.321180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.321180 (E_RNA) where: Base-Base interactions energy: -814.594 where: short stacking energy: -312.867 Base-Backbone interact. energy: 3.219 local terms energy: -336.946118 where: bonds (distance) C4'-P energy: -63.575 bonds (distance) P-C4' energy: -67.865 flat angles C4'-P-C4' energy: -68.462 flat angles P-C4'-P energy: -51.965 tors. eta vs tors. theta energy: -85.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1082.814433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.814433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.814433 (E_RNA) where: Base-Base interactions energy: -738.402 where: short stacking energy: -329.855 Base-Backbone interact. energy: -0.857 local terms energy: -343.555615 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -60.495 flat angles C4'-P-C4' energy: -71.957 flat angles P-C4'-P energy: -48.342 tors. eta vs tors. theta energy: -98.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1072.554754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.554754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.554754 (E_RNA) where: Base-Base interactions energy: -754.906 where: short stacking energy: -300.541 Base-Backbone interact. energy: -2.724 local terms energy: -314.924756 where: bonds (distance) C4'-P energy: -56.192 bonds (distance) P-C4' energy: -64.065 flat angles C4'-P-C4' energy: -69.402 flat angles P-C4'-P energy: -42.578 tors. eta vs tors. theta energy: -82.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -905.422523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.422523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.422523 (E_RNA) where: Base-Base interactions energy: -617.654 where: short stacking energy: -273.306 Base-Backbone interact. energy: -0.139 local terms energy: -287.629755 where: bonds (distance) C4'-P energy: -52.782 bonds (distance) P-C4' energy: -58.714 flat angles C4'-P-C4' energy: -65.646 flat angles P-C4'-P energy: -33.928 tors. eta vs tors. theta energy: -76.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -835.012709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.012709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.012709 (E_RNA) where: Base-Base interactions energy: -528.841 where: short stacking energy: -246.442 Base-Backbone interact. energy: -1.944 local terms energy: -304.227724 where: bonds (distance) C4'-P energy: -65.126 bonds (distance) P-C4' energy: -60.892 flat angles C4'-P-C4' energy: -65.609 flat angles P-C4'-P energy: -44.193 tors. eta vs tors. theta energy: -68.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -855.443344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.443344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.443344 (E_RNA) where: Base-Base interactions energy: -582.674 where: short stacking energy: -255.298 Base-Backbone interact. energy: -0.023 local terms energy: -272.746716 where: bonds (distance) C4'-P energy: -50.202 bonds (distance) P-C4' energy: -60.425 flat angles C4'-P-C4' energy: -65.176 flat angles P-C4'-P energy: -34.971 tors. eta vs tors. theta energy: -61.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -684.527959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.527959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.527959 (E_RNA) where: Base-Base interactions energy: -427.290 where: short stacking energy: -207.189 Base-Backbone interact. energy: 0.368 local terms energy: -257.605803 where: bonds (distance) C4'-P energy: -58.828 bonds (distance) P-C4' energy: -63.482 flat angles C4'-P-C4' energy: -45.418 flat angles P-C4'-P energy: -42.454 tors. eta vs tors. theta energy: -47.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -495.134417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.134417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.134417 (E_RNA) where: Base-Base interactions energy: -283.765 where: short stacking energy: -142.021 Base-Backbone interact. energy: 0.727 local terms energy: -212.096431 where: bonds (distance) C4'-P energy: -49.816 bonds (distance) P-C4' energy: -45.561 flat angles C4'-P-C4' energy: -54.701 flat angles P-C4'-P energy: -44.539 tors. eta vs tors. theta energy: -17.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -287.113552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.113552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.113552 (E_RNA) where: Base-Base interactions energy: -100.466 where: short stacking energy: -85.475 Base-Backbone interact. energy: 0.042 local terms energy: -186.690032 where: bonds (distance) C4'-P energy: -63.996 bonds (distance) P-C4' energy: -64.006 flat angles C4'-P-C4' energy: -37.458 flat angles P-C4'-P energy: -22.191 tors. eta vs tors. theta energy: 0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -249.859916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.859916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.859916 (E_RNA) where: Base-Base interactions energy: -94.794 where: short stacking energy: -75.768 Base-Backbone interact. energy: 1.221 local terms energy: -156.286278 where: bonds (distance) C4'-P energy: -44.049 bonds (distance) P-C4' energy: -46.651 flat angles C4'-P-C4' energy: -44.366 flat angles P-C4'-P energy: -25.284 tors. eta vs tors. theta energy: 4.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1137.223837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.223837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.223837 (E_RNA) where: Base-Base interactions energy: -796.847 where: short stacking energy: -296.045 Base-Backbone interact. energy: -2.450 local terms energy: -337.926434 where: bonds (distance) C4'-P energy: -57.332 bonds (distance) P-C4' energy: -68.108 flat angles C4'-P-C4' energy: -71.018 flat angles P-C4'-P energy: -56.439 tors. eta vs tors. theta energy: -85.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1077.678877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.678877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.678877 (E_RNA) where: Base-Base interactions energy: -757.742 where: short stacking energy: -327.486 Base-Backbone interact. energy: 0.263 local terms energy: -320.200031 where: bonds (distance) C4'-P energy: -58.386 bonds (distance) P-C4' energy: -53.633 flat angles C4'-P-C4' energy: -65.165 flat angles P-C4'-P energy: -48.328 tors. eta vs tors. theta energy: -94.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1040.616541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.616541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.616541 (E_RNA) where: Base-Base interactions energy: -722.633 where: short stacking energy: -300.992 Base-Backbone interact. energy: -2.340 local terms energy: -315.642590 where: bonds (distance) C4'-P energy: -63.168 bonds (distance) P-C4' energy: -50.606 flat angles C4'-P-C4' energy: -70.736 flat angles P-C4'-P energy: -48.105 tors. eta vs tors. theta energy: -83.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -918.847190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.847190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.847190 (E_RNA) where: Base-Base interactions energy: -618.998 where: short stacking energy: -272.388 Base-Backbone interact. energy: -1.728 local terms energy: -298.121631 where: bonds (distance) C4'-P energy: -56.189 bonds (distance) P-C4' energy: -48.557 flat angles C4'-P-C4' energy: -66.056 flat angles P-C4'-P energy: -48.035 tors. eta vs tors. theta energy: -79.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -849.351412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.351412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.351412 (E_RNA) where: Base-Base interactions energy: -553.229 where: short stacking energy: -254.693 Base-Backbone interact. energy: -0.109 local terms energy: -296.013424 where: bonds (distance) C4'-P energy: -58.768 bonds (distance) P-C4' energy: -58.134 flat angles C4'-P-C4' energy: -68.038 flat angles P-C4'-P energy: -45.767 tors. eta vs tors. theta energy: -65.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -841.899789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.899789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.899789 (E_RNA) where: Base-Base interactions energy: -577.643 where: short stacking energy: -226.502 Base-Backbone interact. energy: -1.972 local terms energy: -262.284816 where: bonds (distance) C4'-P energy: -53.536 bonds (distance) P-C4' energy: -59.635 flat angles C4'-P-C4' energy: -62.912 flat angles P-C4'-P energy: -36.056 tors. eta vs tors. theta energy: -50.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -640.502496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.502496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.502496 (E_RNA) where: Base-Base interactions energy: -399.214 where: short stacking energy: -198.222 Base-Backbone interact. energy: -2.537 local terms energy: -238.751229 where: bonds (distance) C4'-P energy: -59.729 bonds (distance) P-C4' energy: -49.265 flat angles C4'-P-C4' energy: -54.747 flat angles P-C4'-P energy: -27.710 tors. eta vs tors. theta energy: -47.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -504.501174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.501174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.501174 (E_RNA) where: Base-Base interactions energy: -274.621 where: short stacking energy: -162.693 Base-Backbone interact. energy: -0.840 local terms energy: -229.039901 where: bonds (distance) C4'-P energy: -58.479 bonds (distance) P-C4' energy: -57.629 flat angles C4'-P-C4' energy: -62.260 flat angles P-C4'-P energy: -17.469 tors. eta vs tors. theta energy: -33.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -318.243562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.243562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.243562 (E_RNA) where: Base-Base interactions energy: -126.389 where: short stacking energy: -106.898 Base-Backbone interact. energy: -0.876 local terms energy: -190.978598 where: bonds (distance) C4'-P energy: -50.926 bonds (distance) P-C4' energy: -47.406 flat angles C4'-P-C4' energy: -48.587 flat angles P-C4'-P energy: -40.632 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -273.917559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.917559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.917559 (E_RNA) where: Base-Base interactions energy: -96.172 where: short stacking energy: -82.397 Base-Backbone interact. energy: 0.554 local terms energy: -178.299278 where: bonds (distance) C4'-P energy: -54.573 bonds (distance) P-C4' energy: -61.645 flat angles C4'-P-C4' energy: -36.596 flat angles P-C4'-P energy: -32.555 tors. eta vs tors. theta energy: 7.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1138.726054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.726054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.726054 (E_RNA) where: Base-Base interactions energy: -795.679 where: short stacking energy: -318.320 Base-Backbone interact. energy: -1.572 local terms energy: -341.475250 where: bonds (distance) C4'-P energy: -68.576 bonds (distance) P-C4' energy: -70.463 flat angles C4'-P-C4' energy: -71.401 flat angles P-C4'-P energy: -45.819 tors. eta vs tors. theta energy: -85.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1086.706220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.706220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.706220 (E_RNA) where: Base-Base interactions energy: -747.424 where: short stacking energy: -320.151 Base-Backbone interact. energy: -1.749 local terms energy: -337.533408 where: bonds (distance) C4'-P energy: -69.555 bonds (distance) P-C4' energy: -59.678 flat angles C4'-P-C4' energy: -67.263 flat angles P-C4'-P energy: -43.678 tors. eta vs tors. theta energy: -97.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1041.294786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.294786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.294786 (E_RNA) where: Base-Base interactions energy: -736.817 where: short stacking energy: -298.768 Base-Backbone interact. energy: -1.589 local terms energy: -302.889046 where: bonds (distance) C4'-P energy: -64.767 bonds (distance) P-C4' energy: -55.815 flat angles C4'-P-C4' energy: -61.093 flat angles P-C4'-P energy: -39.237 tors. eta vs tors. theta energy: -81.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -917.201901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.201901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.201901 (E_RNA) where: Base-Base interactions energy: -616.084 where: short stacking energy: -291.618 Base-Backbone interact. energy: 0.391 local terms energy: -301.508554 where: bonds (distance) C4'-P energy: -53.467 bonds (distance) P-C4' energy: -63.914 flat angles C4'-P-C4' energy: -59.362 flat angles P-C4'-P energy: -47.867 tors. eta vs tors. theta energy: -76.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -882.272401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.272401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.272401 (E_RNA) where: Base-Base interactions energy: -582.333 where: short stacking energy: -259.857 Base-Backbone interact. energy: -0.993 local terms energy: -298.946989 where: bonds (distance) C4'-P energy: -64.665 bonds (distance) P-C4' energy: -48.961 flat angles C4'-P-C4' energy: -63.509 flat angles P-C4'-P energy: -54.497 tors. eta vs tors. theta energy: -67.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -813.753966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.753966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.753966 (E_RNA) where: Base-Base interactions energy: -518.734 where: short stacking energy: -251.282 Base-Backbone interact. energy: 0.979 local terms energy: -295.998831 where: bonds (distance) C4'-P energy: -60.209 bonds (distance) P-C4' energy: -62.244 flat angles C4'-P-C4' energy: -61.059 flat angles P-C4'-P energy: -44.123 tors. eta vs tors. theta energy: -68.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -682.521181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.521181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.521181 (E_RNA) where: Base-Base interactions energy: -441.019 where: short stacking energy: -203.904 Base-Backbone interact. energy: -0.923 local terms energy: -240.579183 where: bonds (distance) C4'-P energy: -40.534 bonds (distance) P-C4' energy: -59.226 flat angles C4'-P-C4' energy: -54.344 flat angles P-C4'-P energy: -35.999 tors. eta vs tors. theta energy: -50.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -492.199447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.199447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.199447 (E_RNA) where: Base-Base interactions energy: -286.805 where: short stacking energy: -162.241 Base-Backbone interact. energy: 0.938 local terms energy: -206.332198 where: bonds (distance) C4'-P energy: -40.175 bonds (distance) P-C4' energy: -52.519 flat angles C4'-P-C4' energy: -48.590 flat angles P-C4'-P energy: -32.779 tors. eta vs tors. theta energy: -32.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -281.999044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.999044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.999044 (E_RNA) where: Base-Base interactions energy: -97.707 where: short stacking energy: -89.223 Base-Backbone interact. energy: 2.778 local terms energy: -187.070710 where: bonds (distance) C4'-P energy: -48.986 bonds (distance) P-C4' energy: -64.498 flat angles C4'-P-C4' energy: -47.215 flat angles P-C4'-P energy: -19.995 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -254.611954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.611954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.611954 (E_RNA) where: Base-Base interactions energy: -75.849 where: short stacking energy: -61.102 Base-Backbone interact. energy: 2.670 local terms energy: -181.433493 where: bonds (distance) C4'-P energy: -53.303 bonds (distance) P-C4' energy: -61.187 flat angles C4'-P-C4' energy: -41.948 flat angles P-C4'-P energy: -37.114 tors. eta vs tors. theta energy: 12.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1123.396599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.396599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.396599 (E_RNA) where: Base-Base interactions energy: -806.383 where: short stacking energy: -297.863 Base-Backbone interact. energy: -2.314 local terms energy: -314.699962 where: bonds (distance) C4'-P energy: -65.316 bonds (distance) P-C4' energy: -57.173 flat angles C4'-P-C4' energy: -69.737 flat angles P-C4'-P energy: -37.297 tors. eta vs tors. theta energy: -85.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1078.259460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.259460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.259460 (E_RNA) where: Base-Base interactions energy: -727.656 where: short stacking energy: -308.271 Base-Backbone interact. energy: -1.622 local terms energy: -348.981285 where: bonds (distance) C4'-P energy: -59.267 bonds (distance) P-C4' energy: -70.134 flat angles C4'-P-C4' energy: -75.858 flat angles P-C4'-P energy: -48.143 tors. eta vs tors. theta energy: -95.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1055.425995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.425995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.425995 (E_RNA) where: Base-Base interactions energy: -726.957 where: short stacking energy: -302.035 Base-Backbone interact. energy: 1.803 local terms energy: -330.272722 where: bonds (distance) C4'-P energy: -65.450 bonds (distance) P-C4' energy: -58.868 flat angles C4'-P-C4' energy: -73.808 flat angles P-C4'-P energy: -45.259 tors. eta vs tors. theta energy: -86.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -912.364542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.364542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.364542 (E_RNA) where: Base-Base interactions energy: -599.480 where: short stacking energy: -259.062 Base-Backbone interact. energy: -0.937 local terms energy: -311.947912 where: bonds (distance) C4'-P energy: -63.194 bonds (distance) P-C4' energy: -63.925 flat angles C4'-P-C4' energy: -65.045 flat angles P-C4'-P energy: -45.317 tors. eta vs tors. theta energy: -74.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -903.344411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.344411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.344411 (E_RNA) where: Base-Base interactions energy: -621.694 where: short stacking energy: -269.414 Base-Backbone interact. energy: -2.423 local terms energy: -279.227503 where: bonds (distance) C4'-P energy: -49.558 bonds (distance) P-C4' energy: -54.721 flat angles C4'-P-C4' energy: -61.105 flat angles P-C4'-P energy: -42.486 tors. eta vs tors. theta energy: -71.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -801.637958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.637958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.637958 (E_RNA) where: Base-Base interactions energy: -505.929 where: short stacking energy: -226.826 Base-Backbone interact. energy: -2.111 local terms energy: -293.598028 where: bonds (distance) C4'-P energy: -58.595 bonds (distance) P-C4' energy: -66.821 flat angles C4'-P-C4' energy: -64.497 flat angles P-C4'-P energy: -43.808 tors. eta vs tors. theta energy: -59.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -656.629540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.629540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.629540 (E_RNA) where: Base-Base interactions energy: -388.701 where: short stacking energy: -172.651 Base-Backbone interact. energy: -1.102 local terms energy: -266.825601 where: bonds (distance) C4'-P energy: -66.589 bonds (distance) P-C4' energy: -64.986 flat angles C4'-P-C4' energy: -57.857 flat angles P-C4'-P energy: -30.218 tors. eta vs tors. theta energy: -47.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -508.236070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.236070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.236070 (E_RNA) where: Base-Base interactions energy: -281.481 where: short stacking energy: -160.631 Base-Backbone interact. energy: -0.354 local terms energy: -226.401389 where: bonds (distance) C4'-P energy: -57.691 bonds (distance) P-C4' energy: -47.822 flat angles C4'-P-C4' energy: -49.711 flat angles P-C4'-P energy: -34.110 tors. eta vs tors. theta energy: -37.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -274.976864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.976864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.976864 (E_RNA) where: Base-Base interactions energy: -100.204 where: short stacking energy: -94.779 Base-Backbone interact. energy: 0.325 local terms energy: -175.097295 where: bonds (distance) C4'-P energy: -58.882 bonds (distance) P-C4' energy: -60.395 flat angles C4'-P-C4' energy: -43.964 flat angles P-C4'-P energy: -11.469 tors. eta vs tors. theta energy: -0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -264.665770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.665770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.665770 (E_RNA) where: Base-Base interactions energy: -99.349 where: short stacking energy: -83.330 Base-Backbone interact. energy: 3.105 local terms energy: -168.421437 where: bonds (distance) C4'-P energy: -49.753 bonds (distance) P-C4' energy: -60.195 flat angles C4'-P-C4' energy: -37.267 flat angles P-C4'-P energy: -20.609 tors. eta vs tors. theta energy: -0.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1125.616640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.616640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.616640 (E_RNA) where: Base-Base interactions energy: -793.589 where: short stacking energy: -296.414 Base-Backbone interact. energy: -2.353 local terms energy: -329.674989 where: bonds (distance) C4'-P energy: -66.668 bonds (distance) P-C4' energy: -67.250 flat angles C4'-P-C4' energy: -64.470 flat angles P-C4'-P energy: -50.614 tors. eta vs tors. theta energy: -80.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1056.622490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.622490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.622490 (E_RNA) where: Base-Base interactions energy: -725.240 where: short stacking energy: -307.381 Base-Backbone interact. energy: 1.204 local terms energy: -332.586855 where: bonds (distance) C4'-P energy: -58.304 bonds (distance) P-C4' energy: -67.726 flat angles C4'-P-C4' energy: -70.598 flat angles P-C4'-P energy: -47.731 tors. eta vs tors. theta energy: -88.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1073.189940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.189940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.189940 (E_RNA) where: Base-Base interactions energy: -750.511 where: short stacking energy: -336.009 Base-Backbone interact. energy: 2.019 local terms energy: -324.698242 where: bonds (distance) C4'-P energy: -50.155 bonds (distance) P-C4' energy: -54.745 flat angles C4'-P-C4' energy: -73.673 flat angles P-C4'-P energy: -51.004 tors. eta vs tors. theta energy: -95.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -912.929371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.929371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.929371 (E_RNA) where: Base-Base interactions energy: -618.945 where: short stacking energy: -265.814 Base-Backbone interact. energy: -1.481 local terms energy: -292.503298 where: bonds (distance) C4'-P energy: -52.529 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -50.176 flat angles P-C4'-P energy: -45.500 tors. eta vs tors. theta energy: -83.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -877.139532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.139532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.139532 (E_RNA) where: Base-Base interactions energy: -581.378 where: short stacking energy: -253.157 Base-Backbone interact. energy: -3.349 local terms energy: -292.411832 where: bonds (distance) C4'-P energy: -62.498 bonds (distance) P-C4' energy: -62.888 flat angles C4'-P-C4' energy: -62.936 flat angles P-C4'-P energy: -34.826 tors. eta vs tors. theta energy: -69.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -770.344533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.344533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.344533 (E_RNA) where: Base-Base interactions energy: -478.380 where: short stacking energy: -214.456 Base-Backbone interact. energy: -1.024 local terms energy: -290.940501 where: bonds (distance) C4'-P energy: -65.388 bonds (distance) P-C4' energy: -57.839 flat angles C4'-P-C4' energy: -69.704 flat angles P-C4'-P energy: -40.074 tors. eta vs tors. theta energy: -57.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -513.429987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.429987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.429987 (E_RNA) where: Base-Base interactions energy: -273.464 where: short stacking energy: -145.753 Base-Backbone interact. energy: -0.625 local terms energy: -239.341479 where: bonds (distance) C4'-P energy: -55.272 bonds (distance) P-C4' energy: -57.172 flat angles C4'-P-C4' energy: -61.792 flat angles P-C4'-P energy: -31.422 tors. eta vs tors. theta energy: -33.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -654.110975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.110975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.110975 (E_RNA) where: Base-Base interactions energy: -400.564 where: short stacking energy: -193.898 Base-Backbone interact. energy: 0.854 local terms energy: -254.401226 where: bonds (distance) C4'-P energy: -48.112 bonds (distance) P-C4' energy: -61.827 flat angles C4'-P-C4' energy: -55.446 flat angles P-C4'-P energy: -36.192 tors. eta vs tors. theta energy: -52.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -286.419748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.419748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.419748 (E_RNA) where: Base-Base interactions energy: -102.449 where: short stacking energy: -77.970 Base-Backbone interact. energy: -1.616 local terms energy: -182.354060 where: bonds (distance) C4'-P energy: -52.139 bonds (distance) P-C4' energy: -58.856 flat angles C4'-P-C4' energy: -52.026 flat angles P-C4'-P energy: -30.590 tors. eta vs tors. theta energy: 11.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -259.416314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.416314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.416314 (E_RNA) where: Base-Base interactions energy: -104.157 where: short stacking energy: -70.731 Base-Backbone interact. energy: 3.146 local terms energy: -158.404810 where: bonds (distance) C4'-P energy: -55.720 bonds (distance) P-C4' energy: -53.018 flat angles C4'-P-C4' energy: -32.270 flat angles P-C4'-P energy: -18.782 tors. eta vs tors. theta energy: 1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1127.585347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.585347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.585347 (E_RNA) where: Base-Base interactions energy: -783.519 where: short stacking energy: -302.228 Base-Backbone interact. energy: -3.470 local terms energy: -340.596170 where: bonds (distance) C4'-P energy: -63.194 bonds (distance) P-C4' energy: -66.260 flat angles C4'-P-C4' energy: -70.591 flat angles P-C4'-P energy: -55.808 tors. eta vs tors. theta energy: -84.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1076.181020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.181020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.181020 (E_RNA) where: Base-Base interactions energy: -754.880 where: short stacking energy: -320.078 Base-Backbone interact. energy: -1.320 local terms energy: -319.981084 where: bonds (distance) C4'-P energy: -58.502 bonds (distance) P-C4' energy: -57.187 flat angles C4'-P-C4' energy: -60.809 flat angles P-C4'-P energy: -46.370 tors. eta vs tors. theta energy: -97.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1037.397350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.397350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.397350 (E_RNA) where: Base-Base interactions energy: -725.089 where: short stacking energy: -318.930 Base-Backbone interact. energy: -2.126 local terms energy: -310.181932 where: bonds (distance) C4'-P energy: -54.128 bonds (distance) P-C4' energy: -63.792 flat angles C4'-P-C4' energy: -63.782 flat angles P-C4'-P energy: -39.989 tors. eta vs tors. theta energy: -88.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -940.911727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.911727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.911727 (E_RNA) where: Base-Base interactions energy: -642.496 where: short stacking energy: -273.615 Base-Backbone interact. energy: 2.549 local terms energy: -300.964984 where: bonds (distance) C4'-P energy: -58.106 bonds (distance) P-C4' energy: -60.731 flat angles C4'-P-C4' energy: -69.788 flat angles P-C4'-P energy: -45.548 tors. eta vs tors. theta energy: -66.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -894.789321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.789321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.789321 (E_RNA) where: Base-Base interactions energy: -609.989 where: short stacking energy: -271.125 Base-Backbone interact. energy: -3.665 local terms energy: -281.135279 where: bonds (distance) C4'-P energy: -58.404 bonds (distance) P-C4' energy: -65.091 flat angles C4'-P-C4' energy: -48.056 flat angles P-C4'-P energy: -44.349 tors. eta vs tors. theta energy: -65.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -784.179311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.179311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.179311 (E_RNA) where: Base-Base interactions energy: -520.836 where: short stacking energy: -245.710 Base-Backbone interact. energy: -2.087 local terms energy: -261.255991 where: bonds (distance) C4'-P energy: -49.219 bonds (distance) P-C4' energy: -58.220 flat angles C4'-P-C4' energy: -55.281 flat angles P-C4'-P energy: -41.438 tors. eta vs tors. theta energy: -57.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -496.665272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.665272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.665272 (E_RNA) where: Base-Base interactions energy: -267.818 where: short stacking energy: -153.498 Base-Backbone interact. energy: -0.917 local terms energy: -227.930259 where: bonds (distance) C4'-P energy: -51.519 bonds (distance) P-C4' energy: -59.066 flat angles C4'-P-C4' energy: -60.716 flat angles P-C4'-P energy: -33.299 tors. eta vs tors. theta energy: -23.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -681.808844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.808844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.808844 (E_RNA) where: Base-Base interactions energy: -447.089 where: short stacking energy: -199.015 Base-Backbone interact. energy: 3.127 local terms energy: -237.846434 where: bonds (distance) C4'-P energy: -56.073 bonds (distance) P-C4' energy: -58.525 flat angles C4'-P-C4' energy: -50.949 flat angles P-C4'-P energy: -24.719 tors. eta vs tors. theta energy: -47.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -289.048568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.048568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.048568 (E_RNA) where: Base-Base interactions energy: -113.830 where: short stacking energy: -108.088 Base-Backbone interact. energy: 2.694 local terms energy: -177.912436 where: bonds (distance) C4'-P energy: -57.747 bonds (distance) P-C4' energy: -51.433 flat angles C4'-P-C4' energy: -39.463 flat angles P-C4'-P energy: -20.758 tors. eta vs tors. theta energy: -8.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -269.267101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.267101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.267101 (E_RNA) where: Base-Base interactions energy: -101.302 where: short stacking energy: -73.714 Base-Backbone interact. energy: 0.749 local terms energy: -168.714022 where: bonds (distance) C4'-P energy: -38.216 bonds (distance) P-C4' energy: -65.427 flat angles C4'-P-C4' energy: -33.837 flat angles P-C4'-P energy: -50.169 tors. eta vs tors. theta energy: 18.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1151.375517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.375517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.375517 (E_RNA) where: Base-Base interactions energy: -809.562 where: short stacking energy: -326.364 Base-Backbone interact. energy: -1.874 local terms energy: -339.939715 where: bonds (distance) C4'-P energy: -70.019 bonds (distance) P-C4' energy: -65.795 flat angles C4'-P-C4' energy: -75.698 flat angles P-C4'-P energy: -43.609 tors. eta vs tors. theta energy: -84.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1097.397589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.397589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.397589 (E_RNA) where: Base-Base interactions energy: -776.647 where: short stacking energy: -305.888 Base-Backbone interact. energy: -1.633 local terms energy: -319.118185 where: bonds (distance) C4'-P energy: -54.776 bonds (distance) P-C4' energy: -58.431 flat angles C4'-P-C4' energy: -71.627 flat angles P-C4'-P energy: -46.430 tors. eta vs tors. theta energy: -87.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1037.357089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.357089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.357089 (E_RNA) where: Base-Base interactions energy: -723.943 where: short stacking energy: -307.686 Base-Backbone interact. energy: 4.300 local terms energy: -317.713907 where: bonds (distance) C4'-P energy: -57.621 bonds (distance) P-C4' energy: -56.254 flat angles C4'-P-C4' energy: -68.189 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -88.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -918.713819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.713819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.713819 (E_RNA) where: Base-Base interactions energy: -627.731 where: short stacking energy: -278.888 Base-Backbone interact. energy: 0.862 local terms energy: -291.844762 where: bonds (distance) C4'-P energy: -58.869 bonds (distance) P-C4' energy: -53.608 flat angles C4'-P-C4' energy: -63.474 flat angles P-C4'-P energy: -40.285 tors. eta vs tors. theta energy: -75.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -892.754565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.754565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.754565 (E_RNA) where: Base-Base interactions energy: -592.774 where: short stacking energy: -255.962 Base-Backbone interact. energy: -1.642 local terms energy: -298.339139 where: bonds (distance) C4'-P energy: -60.757 bonds (distance) P-C4' energy: -58.422 flat angles C4'-P-C4' energy: -76.350 flat angles P-C4'-P energy: -37.386 tors. eta vs tors. theta energy: -65.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -793.249474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.249474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.249474 (E_RNA) where: Base-Base interactions energy: -512.210 where: short stacking energy: -230.514 Base-Backbone interact. energy: -0.636 local terms energy: -280.403994 where: bonds (distance) C4'-P energy: -58.190 bonds (distance) P-C4' energy: -54.079 flat angles C4'-P-C4' energy: -60.259 flat angles P-C4'-P energy: -43.489 tors. eta vs tors. theta energy: -64.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -701.738116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.738116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.738116 (E_RNA) where: Base-Base interactions energy: -445.886 where: short stacking energy: -205.509 Base-Backbone interact. energy: -1.747 local terms energy: -254.104735 where: bonds (distance) C4'-P energy: -62.315 bonds (distance) P-C4' energy: -55.760 flat angles C4'-P-C4' energy: -50.530 flat angles P-C4'-P energy: -33.565 tors. eta vs tors. theta energy: -51.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -481.239350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.239350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.239350 (E_RNA) where: Base-Base interactions energy: -268.439 where: short stacking energy: -131.629 Base-Backbone interact. energy: -0.577 local terms energy: -212.223795 where: bonds (distance) C4'-P energy: -42.571 bonds (distance) P-C4' energy: -57.204 flat angles C4'-P-C4' energy: -43.345 flat angles P-C4'-P energy: -41.291 tors. eta vs tors. theta energy: -27.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -351.419751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.419751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.419751 (E_RNA) where: Base-Base interactions energy: -153.547 where: short stacking energy: -121.607 Base-Backbone interact. energy: 0.738 local terms energy: -198.610780 where: bonds (distance) C4'-P energy: -50.146 bonds (distance) P-C4' energy: -53.518 flat angles C4'-P-C4' energy: -53.285 flat angles P-C4'-P energy: -38.766 tors. eta vs tors. theta energy: -2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -268.601651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.601651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.601651 (E_RNA) where: Base-Base interactions energy: -97.073 where: short stacking energy: -91.709 Base-Backbone interact. energy: 0.542 local terms energy: -172.070795 where: bonds (distance) C4'-P energy: -42.519 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -53.200 flat angles P-C4'-P energy: -21.186 tors. eta vs tors. theta energy: 5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1148.154411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.154411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.154411 (E_RNA) where: Base-Base interactions energy: -809.786 where: short stacking energy: -312.889 Base-Backbone interact. energy: -1.178 local terms energy: -337.190343 where: bonds (distance) C4'-P energy: -67.505 bonds (distance) P-C4' energy: -71.325 flat angles C4'-P-C4' energy: -65.600 flat angles P-C4'-P energy: -50.223 tors. eta vs tors. theta energy: -82.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1074.603390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.603390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.603390 (E_RNA) where: Base-Base interactions energy: -745.794 where: short stacking energy: -313.897 Base-Backbone interact. energy: 5.171 local terms energy: -333.980885 where: bonds (distance) C4'-P energy: -60.573 bonds (distance) P-C4' energy: -56.423 flat angles C4'-P-C4' energy: -73.224 flat angles P-C4'-P energy: -51.788 tors. eta vs tors. theta energy: -91.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1046.056724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.056724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.056724 (E_RNA) where: Base-Base interactions energy: -735.091 where: short stacking energy: -279.066 Base-Backbone interact. energy: 2.160 local terms energy: -313.125979 where: bonds (distance) C4'-P energy: -64.274 bonds (distance) P-C4' energy: -57.502 flat angles C4'-P-C4' energy: -64.339 flat angles P-C4'-P energy: -47.336 tors. eta vs tors. theta energy: -79.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -933.921246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.921246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.921246 (E_RNA) where: Base-Base interactions energy: -642.701 where: short stacking energy: -300.045 Base-Backbone interact. energy: -0.888 local terms energy: -290.332009 where: bonds (distance) C4'-P energy: -47.732 bonds (distance) P-C4' energy: -56.840 flat angles C4'-P-C4' energy: -52.683 flat angles P-C4'-P energy: -47.902 tors. eta vs tors. theta energy: -85.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -912.549457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.549457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.549457 (E_RNA) where: Base-Base interactions energy: -614.120 where: short stacking energy: -271.490 Base-Backbone interact. energy: -0.689 local terms energy: -297.740591 where: bonds (distance) C4'-P energy: -65.145 bonds (distance) P-C4' energy: -50.509 flat angles C4'-P-C4' energy: -60.231 flat angles P-C4'-P energy: -46.578 tors. eta vs tors. theta energy: -75.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -797.556999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.556999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.556999 (E_RNA) where: Base-Base interactions energy: -538.889 where: short stacking energy: -238.970 Base-Backbone interact. energy: -0.263 local terms energy: -258.405074 where: bonds (distance) C4'-P energy: -43.503 bonds (distance) P-C4' energy: -53.716 flat angles C4'-P-C4' energy: -59.987 flat angles P-C4'-P energy: -42.997 tors. eta vs tors. theta energy: -58.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -687.141514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.141514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.141514 (E_RNA) where: Base-Base interactions energy: -429.698 where: short stacking energy: -201.286 Base-Backbone interact. energy: 0.310 local terms energy: -257.753661 where: bonds (distance) C4'-P energy: -56.899 bonds (distance) P-C4' energy: -61.212 flat angles C4'-P-C4' energy: -47.245 flat angles P-C4'-P energy: -40.532 tors. eta vs tors. theta energy: -51.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -498.777959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.777959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.777959 (E_RNA) where: Base-Base interactions energy: -288.566 where: short stacking energy: -163.511 Base-Backbone interact. energy: -2.210 local terms energy: -208.002339 where: bonds (distance) C4'-P energy: -40.279 bonds (distance) P-C4' energy: -60.268 flat angles C4'-P-C4' energy: -58.631 flat angles P-C4'-P energy: -26.558 tors. eta vs tors. theta energy: -22.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -345.246839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.246839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.246839 (E_RNA) where: Base-Base interactions energy: -139.458 where: short stacking energy: -108.223 Base-Backbone interact. energy: -3.713 local terms energy: -202.075936 where: bonds (distance) C4'-P energy: -58.451 bonds (distance) P-C4' energy: -49.989 flat angles C4'-P-C4' energy: -45.173 flat angles P-C4'-P energy: -37.677 tors. eta vs tors. theta energy: -10.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -279.136192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.136192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.136192 (E_RNA) where: Base-Base interactions energy: -90.052 where: short stacking energy: -80.587 Base-Backbone interact. energy: -0.841 local terms energy: -188.243295 where: bonds (distance) C4'-P energy: -62.143 bonds (distance) P-C4' energy: -61.438 flat angles C4'-P-C4' energy: -49.224 flat angles P-C4'-P energy: -14.283 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1155.808158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.808158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.808158 (E_RNA) where: Base-Base interactions energy: -834.415 where: short stacking energy: -313.965 Base-Backbone interact. energy: 0.273 local terms energy: -321.666435 where: bonds (distance) C4'-P energy: -59.226 bonds (distance) P-C4' energy: -58.556 flat angles C4'-P-C4' energy: -75.402 flat angles P-C4'-P energy: -43.926 tors. eta vs tors. theta energy: -84.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1066.726016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.726016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.726016 (E_RNA) where: Base-Base interactions energy: -758.311 where: short stacking energy: -318.239 Base-Backbone interact. energy: 5.993 local terms energy: -314.408898 where: bonds (distance) C4'-P energy: -55.112 bonds (distance) P-C4' energy: -62.393 flat angles C4'-P-C4' energy: -61.979 flat angles P-C4'-P energy: -47.741 tors. eta vs tors. theta energy: -87.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1034.761213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.761213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.761213 (E_RNA) where: Base-Base interactions energy: -728.625 where: short stacking energy: -302.031 Base-Backbone interact. energy: -0.528 local terms energy: -305.608771 where: bonds (distance) C4'-P energy: -50.629 bonds (distance) P-C4' energy: -57.355 flat angles C4'-P-C4' energy: -71.952 flat angles P-C4'-P energy: -41.175 tors. eta vs tors. theta energy: -84.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -920.275593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.275593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.275593 (E_RNA) where: Base-Base interactions energy: -607.288 where: short stacking energy: -271.898 Base-Backbone interact. energy: -1.842 local terms energy: -311.145787 where: bonds (distance) C4'-P energy: -53.741 bonds (distance) P-C4' energy: -65.187 flat angles C4'-P-C4' energy: -64.860 flat angles P-C4'-P energy: -46.943 tors. eta vs tors. theta energy: -80.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -829.468339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.468339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.468339 (E_RNA) where: Base-Base interactions energy: -545.594 where: short stacking energy: -256.256 Base-Backbone interact. energy: -0.996 local terms energy: -282.878187 where: bonds (distance) C4'-P energy: -55.099 bonds (distance) P-C4' energy: -66.857 flat angles C4'-P-C4' energy: -52.331 flat angles P-C4'-P energy: -44.787 tors. eta vs tors. theta energy: -63.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -872.680702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.680702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.680702 (E_RNA) where: Base-Base interactions energy: -597.576 where: short stacking energy: -271.152 Base-Backbone interact. energy: 1.213 local terms energy: -276.317540 where: bonds (distance) C4'-P energy: -42.967 bonds (distance) P-C4' energy: -58.906 flat angles C4'-P-C4' energy: -70.786 flat angles P-C4'-P energy: -32.120 tors. eta vs tors. theta energy: -71.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -676.714765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.714765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.714765 (E_RNA) where: Base-Base interactions energy: -425.127 where: short stacking energy: -200.138 Base-Backbone interact. energy: -0.637 local terms energy: -250.950486 where: bonds (distance) C4'-P energy: -56.303 bonds (distance) P-C4' energy: -57.393 flat angles C4'-P-C4' energy: -57.386 flat angles P-C4'-P energy: -25.334 tors. eta vs tors. theta energy: -54.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -541.469152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.469152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.469152 (E_RNA) where: Base-Base interactions energy: -326.010 where: short stacking energy: -140.983 Base-Backbone interact. energy: -1.646 local terms energy: -213.813635 where: bonds (distance) C4'-P energy: -57.996 bonds (distance) P-C4' energy: -52.673 flat angles C4'-P-C4' energy: -54.046 flat angles P-C4'-P energy: -33.188 tors. eta vs tors. theta energy: -15.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -358.559814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.559814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.559814 (E_RNA) where: Base-Base interactions energy: -182.332 where: short stacking energy: -113.165 Base-Backbone interact. energy: -1.789 local terms energy: -174.439689 where: bonds (distance) C4'-P energy: -48.333 bonds (distance) P-C4' energy: -38.370 flat angles C4'-P-C4' energy: -42.893 flat angles P-C4'-P energy: -39.342 tors. eta vs tors. theta energy: -5.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -264.434663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.434663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.434663 (E_RNA) where: Base-Base interactions energy: -115.710 where: short stacking energy: -79.670 Base-Backbone interact. energy: -1.737 local terms energy: -146.988323 where: bonds (distance) C4'-P energy: -38.706 bonds (distance) P-C4' energy: -53.890 flat angles C4'-P-C4' energy: -50.182 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: 5.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1128.592365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.592365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.592365 (E_RNA) where: Base-Base interactions energy: -779.946 where: short stacking energy: -312.101 Base-Backbone interact. energy: -1.618 local terms energy: -347.028738 where: bonds (distance) C4'-P energy: -60.255 bonds (distance) P-C4' energy: -68.754 flat angles C4'-P-C4' energy: -78.129 flat angles P-C4'-P energy: -46.383 tors. eta vs tors. theta energy: -93.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1087.988095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.988095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.988095 (E_RNA) where: Base-Base interactions energy: -743.225 where: short stacking energy: -300.538 Base-Backbone interact. energy: -0.363 local terms energy: -344.400060 where: bonds (distance) C4'-P energy: -66.172 bonds (distance) P-C4' energy: -64.147 flat angles C4'-P-C4' energy: -67.086 flat angles P-C4'-P energy: -50.283 tors. eta vs tors. theta energy: -96.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1041.981478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.981478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.981478 (E_RNA) where: Base-Base interactions energy: -731.518 where: short stacking energy: -304.136 Base-Backbone interact. energy: 4.432 local terms energy: -314.895968 where: bonds (distance) C4'-P energy: -56.954 bonds (distance) P-C4' energy: -57.827 flat angles C4'-P-C4' energy: -66.728 flat angles P-C4'-P energy: -45.506 tors. eta vs tors. theta energy: -87.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -932.533181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.533181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.533181 (E_RNA) where: Base-Base interactions energy: -615.198 where: short stacking energy: -264.525 Base-Backbone interact. energy: -2.935 local terms energy: -314.400384 where: bonds (distance) C4'-P energy: -52.466 bonds (distance) P-C4' energy: -62.261 flat angles C4'-P-C4' energy: -66.914 flat angles P-C4'-P energy: -51.877 tors. eta vs tors. theta energy: -80.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -857.709620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.709620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.709620 (E_RNA) where: Base-Base interactions energy: -564.440 where: short stacking energy: -267.795 Base-Backbone interact. energy: 0.040 local terms energy: -293.309535 where: bonds (distance) C4'-P energy: -61.396 bonds (distance) P-C4' energy: -58.003 flat angles C4'-P-C4' energy: -58.603 flat angles P-C4'-P energy: -47.496 tors. eta vs tors. theta energy: -67.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -856.199722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.199722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.199722 (E_RNA) where: Base-Base interactions energy: -562.140 where: short stacking energy: -238.138 Base-Backbone interact. energy: 1.293 local terms energy: -295.352476 where: bonds (distance) C4'-P energy: -60.107 bonds (distance) P-C4' energy: -61.610 flat angles C4'-P-C4' energy: -62.806 flat angles P-C4'-P energy: -42.545 tors. eta vs tors. theta energy: -68.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -731.663817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.663817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.663817 (E_RNA) where: Base-Base interactions energy: -468.751 where: short stacking energy: -206.093 Base-Backbone interact. energy: -0.742 local terms energy: -262.170155 where: bonds (distance) C4'-P energy: -49.255 bonds (distance) P-C4' energy: -61.122 flat angles C4'-P-C4' energy: -68.007 flat angles P-C4'-P energy: -30.610 tors. eta vs tors. theta energy: -53.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -358.801880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.801880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.801880 (E_RNA) where: Base-Base interactions energy: -170.854 where: short stacking energy: -106.334 Base-Backbone interact. energy: 3.141 local terms energy: -191.088280 where: bonds (distance) C4'-P energy: -43.355 bonds (distance) P-C4' energy: -51.989 flat angles C4'-P-C4' energy: -54.923 flat angles P-C4'-P energy: -30.421 tors. eta vs tors. theta energy: -10.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -448.418415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.418415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.418415 (E_RNA) where: Base-Base interactions energy: -246.341 where: short stacking energy: -126.054 Base-Backbone interact. energy: -2.019 local terms energy: -200.059341 where: bonds (distance) C4'-P energy: -51.120 bonds (distance) P-C4' energy: -45.070 flat angles C4'-P-C4' energy: -60.975 flat angles P-C4'-P energy: -37.354 tors. eta vs tors. theta energy: -5.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -292.534705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.534705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.534705 (E_RNA) where: Base-Base interactions energy: -126.367 where: short stacking energy: -79.127 Base-Backbone interact. energy: -1.502 local terms energy: -164.665231 where: bonds (distance) C4'-P energy: -57.152 bonds (distance) P-C4' energy: -56.417 flat angles C4'-P-C4' energy: -50.089 flat angles P-C4'-P energy: -14.719 tors. eta vs tors. theta energy: 13.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1145.843020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.843020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.843020 (E_RNA) where: Base-Base interactions energy: -793.621 where: short stacking energy: -313.626 Base-Backbone interact. energy: -1.869 local terms energy: -350.353487 where: bonds (distance) C4'-P energy: -71.776 bonds (distance) P-C4' energy: -62.188 flat angles C4'-P-C4' energy: -78.344 flat angles P-C4'-P energy: -50.096 tors. eta vs tors. theta energy: -87.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1083.773251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.773251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.773251 (E_RNA) where: Base-Base interactions energy: -741.408 where: short stacking energy: -295.307 Base-Backbone interact. energy: 1.630 local terms energy: -343.995201 where: bonds (distance) C4'-P energy: -62.191 bonds (distance) P-C4' energy: -69.446 flat angles C4'-P-C4' energy: -69.774 flat angles P-C4'-P energy: -51.789 tors. eta vs tors. theta energy: -90.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1063.326731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.326731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.326731 (E_RNA) where: Base-Base interactions energy: -731.258 where: short stacking energy: -318.818 Base-Backbone interact. energy: -0.913 local terms energy: -331.156104 where: bonds (distance) C4'-P energy: -68.560 bonds (distance) P-C4' energy: -67.100 flat angles C4'-P-C4' energy: -65.791 flat angles P-C4'-P energy: -40.574 tors. eta vs tors. theta energy: -89.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -938.825466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.825466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.825466 (E_RNA) where: Base-Base interactions energy: -619.339 where: short stacking energy: -267.295 Base-Backbone interact. energy: -3.559 local terms energy: -315.927553 where: bonds (distance) C4'-P energy: -57.967 bonds (distance) P-C4' energy: -60.984 flat angles C4'-P-C4' energy: -66.828 flat angles P-C4'-P energy: -48.531 tors. eta vs tors. theta energy: -81.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -909.173310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.173310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.173310 (E_RNA) where: Base-Base interactions energy: -616.641 where: short stacking energy: -268.256 Base-Backbone interact. energy: 2.317 local terms energy: -294.849550 where: bonds (distance) C4'-P energy: -60.115 bonds (distance) P-C4' energy: -59.983 flat angles C4'-P-C4' energy: -61.880 flat angles P-C4'-P energy: -38.866 tors. eta vs tors. theta energy: -74.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -826.896899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.896899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.896899 (E_RNA) where: Base-Base interactions energy: -537.577 where: short stacking energy: -243.216 Base-Backbone interact. energy: -1.543 local terms energy: -287.777603 where: bonds (distance) C4'-P energy: -59.469 bonds (distance) P-C4' energy: -62.392 flat angles C4'-P-C4' energy: -63.959 flat angles P-C4'-P energy: -38.188 tors. eta vs tors. theta energy: -63.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -707.652570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.652570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.652570 (E_RNA) where: Base-Base interactions energy: -444.068 where: short stacking energy: -207.978 Base-Backbone interact. energy: -1.858 local terms energy: -261.726251 where: bonds (distance) C4'-P energy: -56.310 bonds (distance) P-C4' energy: -62.038 flat angles C4'-P-C4' energy: -53.892 flat angles P-C4'-P energy: -26.439 tors. eta vs tors. theta energy: -63.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -358.387827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.387827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.387827 (E_RNA) where: Base-Base interactions energy: -174.671 where: short stacking energy: -132.173 Base-Backbone interact. energy: -0.796 local terms energy: -182.920735 where: bonds (distance) C4'-P energy: -65.187 bonds (distance) P-C4' energy: -54.457 flat angles C4'-P-C4' energy: -40.327 flat angles P-C4'-P energy: -16.021 tors. eta vs tors. theta energy: -6.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -479.293637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.293637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.293637 (E_RNA) where: Base-Base interactions energy: -288.530 where: short stacking energy: -133.439 Base-Backbone interact. energy: -1.304 local terms energy: -189.459786 where: bonds (distance) C4'-P energy: -44.025 bonds (distance) P-C4' energy: -53.597 flat angles C4'-P-C4' energy: -50.885 flat angles P-C4'-P energy: -30.566 tors. eta vs tors. theta energy: -10.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -274.970065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.970065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.970065 (E_RNA) where: Base-Base interactions energy: -83.485 where: short stacking energy: -77.416 Base-Backbone interact. energy: -1.513 local terms energy: -189.972306 where: bonds (distance) C4'-P energy: -62.473 bonds (distance) P-C4' energy: -65.629 flat angles C4'-P-C4' energy: -49.059 flat angles P-C4'-P energy: -28.178 tors. eta vs tors. theta energy: 15.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1144.462997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.462997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.462997 (E_RNA) where: Base-Base interactions energy: -796.936 where: short stacking energy: -315.291 Base-Backbone interact. energy: -2.074 local terms energy: -345.452566 where: bonds (distance) C4'-P energy: -65.750 bonds (distance) P-C4' energy: -60.396 flat angles C4'-P-C4' energy: -79.301 flat angles P-C4'-P energy: -50.148 tors. eta vs tors. theta energy: -89.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1097.130229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.130229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.130229 (E_RNA) where: Base-Base interactions energy: -751.256 where: short stacking energy: -315.094 Base-Backbone interact. energy: -1.339 local terms energy: -344.535735 where: bonds (distance) C4'-P energy: -65.690 bonds (distance) P-C4' energy: -63.959 flat angles C4'-P-C4' energy: -76.382 flat angles P-C4'-P energy: -44.423 tors. eta vs tors. theta energy: -94.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1046.415640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.415640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.415640 (E_RNA) where: Base-Base interactions energy: -733.463 where: short stacking energy: -295.964 Base-Backbone interact. energy: -0.984 local terms energy: -311.968575 where: bonds (distance) C4'-P energy: -46.439 bonds (distance) P-C4' energy: -68.714 flat angles C4'-P-C4' energy: -65.496 flat angles P-C4'-P energy: -45.542 tors. eta vs tors. theta energy: -85.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -945.290911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.290911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.290911 (E_RNA) where: Base-Base interactions energy: -626.532 where: short stacking energy: -303.245 Base-Backbone interact. energy: 0.755 local terms energy: -319.514037 where: bonds (distance) C4'-P energy: -42.916 bonds (distance) P-C4' energy: -61.070 flat angles C4'-P-C4' energy: -74.226 flat angles P-C4'-P energy: -48.504 tors. eta vs tors. theta energy: -92.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -922.276991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.276991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.276991 (E_RNA) where: Base-Base interactions energy: -624.622 where: short stacking energy: -284.623 Base-Backbone interact. energy: -2.209 local terms energy: -295.446116 where: bonds (distance) C4'-P energy: -54.979 bonds (distance) P-C4' energy: -62.429 flat angles C4'-P-C4' energy: -71.208 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -69.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -724.045175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.045175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.045175 (E_RNA) where: Base-Base interactions energy: -455.200 where: short stacking energy: -189.759 Base-Backbone interact. energy: -0.812 local terms energy: -268.032989 where: bonds (distance) C4'-P energy: -60.407 bonds (distance) P-C4' energy: -57.169 flat angles C4'-P-C4' energy: -62.265 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -46.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -791.535233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.535233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.535233 (E_RNA) where: Base-Base interactions energy: -514.444 where: short stacking energy: -224.636 Base-Backbone interact. energy: -0.957 local terms energy: -276.133777 where: bonds (distance) C4'-P energy: -52.595 bonds (distance) P-C4' energy: -58.019 flat angles C4'-P-C4' energy: -64.103 flat angles P-C4'-P energy: -42.244 tors. eta vs tors. theta energy: -59.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -530.699298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.699298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.699298 (E_RNA) where: Base-Base interactions energy: -304.160 where: short stacking energy: -173.089 Base-Backbone interact. energy: -1.573 local terms energy: -224.966470 where: bonds (distance) C4'-P energy: -46.661 bonds (distance) P-C4' energy: -63.699 flat angles C4'-P-C4' energy: -49.080 flat angles P-C4'-P energy: -35.414 tors. eta vs tors. theta energy: -30.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -287.456518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.456518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.456518 (E_RNA) where: Base-Base interactions energy: -101.400 where: short stacking energy: -91.946 Base-Backbone interact. energy: 1.023 local terms energy: -187.078738 where: bonds (distance) C4'-P energy: -57.065 bonds (distance) P-C4' energy: -52.324 flat angles C4'-P-C4' energy: -44.036 flat angles P-C4'-P energy: -29.049 tors. eta vs tors. theta energy: -4.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -269.909693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.909693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.909693 (E_RNA) where: Base-Base interactions energy: -88.007 where: short stacking energy: -79.900 Base-Backbone interact. energy: -0.732 local terms energy: -181.170521 where: bonds (distance) C4'-P energy: -57.548 bonds (distance) P-C4' energy: -49.406 flat angles C4'-P-C4' energy: -45.049 flat angles P-C4'-P energy: -35.065 tors. eta vs tors. theta energy: 5.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1144.416746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.416746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.416746 (E_RNA) where: Base-Base interactions energy: -793.839 where: short stacking energy: -343.136 Base-Backbone interact. energy: -0.514 local terms energy: -350.064249 where: bonds (distance) C4'-P energy: -65.237 bonds (distance) P-C4' energy: -72.144 flat angles C4'-P-C4' energy: -72.001 flat angles P-C4'-P energy: -38.084 tors. eta vs tors. theta energy: -102.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1120.225760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.225760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.225760 (E_RNA) where: Base-Base interactions energy: -785.969 where: short stacking energy: -291.716 Base-Backbone interact. energy: -2.029 local terms energy: -332.227240 where: bonds (distance) C4'-P energy: -68.527 bonds (distance) P-C4' energy: -65.041 flat angles C4'-P-C4' energy: -70.250 flat angles P-C4'-P energy: -43.946 tors. eta vs tors. theta energy: -84.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1044.463043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.463043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.463043 (E_RNA) where: Base-Base interactions energy: -708.488 where: short stacking energy: -300.344 Base-Backbone interact. energy: -1.666 local terms energy: -334.309600 where: bonds (distance) C4'-P energy: -65.057 bonds (distance) P-C4' energy: -56.334 flat angles C4'-P-C4' energy: -75.200 flat angles P-C4'-P energy: -43.383 tors. eta vs tors. theta energy: -94.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -938.700891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.700891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.700891 (E_RNA) where: Base-Base interactions energy: -606.648 where: short stacking energy: -276.441 Base-Backbone interact. energy: -2.069 local terms energy: -329.984513 where: bonds (distance) C4'-P energy: -68.539 bonds (distance) P-C4' energy: -67.843 flat angles C4'-P-C4' energy: -70.751 flat angles P-C4'-P energy: -37.746 tors. eta vs tors. theta energy: -85.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -915.152381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.152381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.152381 (E_RNA) where: Base-Base interactions energy: -615.879 where: short stacking energy: -269.141 Base-Backbone interact. energy: -0.773 local terms energy: -298.500644 where: bonds (distance) C4'-P energy: -50.699 bonds (distance) P-C4' energy: -64.349 flat angles C4'-P-C4' energy: -65.866 flat angles P-C4'-P energy: -44.640 tors. eta vs tors. theta energy: -72.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -714.519493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.519493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.519493 (E_RNA) where: Base-Base interactions energy: -457.780 where: short stacking energy: -207.317 Base-Backbone interact. energy: -2.906 local terms energy: -253.833251 where: bonds (distance) C4'-P energy: -57.055 bonds (distance) P-C4' energy: -58.689 flat angles C4'-P-C4' energy: -55.405 flat angles P-C4'-P energy: -31.624 tors. eta vs tors. theta energy: -51.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -772.022541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.022541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.022541 (E_RNA) where: Base-Base interactions energy: -512.591 where: short stacking energy: -243.795 Base-Backbone interact. energy: -1.653 local terms energy: -257.778378 where: bonds (distance) C4'-P energy: -50.138 bonds (distance) P-C4' energy: -57.039 flat angles C4'-P-C4' energy: -60.411 flat angles P-C4'-P energy: -35.762 tors. eta vs tors. theta energy: -54.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -506.649603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.649603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.649603 (E_RNA) where: Base-Base interactions energy: -292.388 where: short stacking energy: -144.440 Base-Backbone interact. energy: -2.651 local terms energy: -211.610678 where: bonds (distance) C4'-P energy: -41.717 bonds (distance) P-C4' energy: -55.504 flat angles C4'-P-C4' energy: -56.597 flat angles P-C4'-P energy: -36.901 tors. eta vs tors. theta energy: -20.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -287.507726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.507726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.507726 (E_RNA) where: Base-Base interactions energy: -117.635 where: short stacking energy: -101.449 Base-Backbone interact. energy: 1.727 local terms energy: -171.599079 where: bonds (distance) C4'-P energy: -35.629 bonds (distance) P-C4' energy: -60.801 flat angles C4'-P-C4' energy: -43.244 flat angles P-C4'-P energy: -33.514 tors. eta vs tors. theta energy: 1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -272.665568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.665568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.665568 (E_RNA) where: Base-Base interactions energy: -95.860 where: short stacking energy: -66.389 Base-Backbone interact. energy: -1.607 local terms energy: -175.198417 where: bonds (distance) C4'-P energy: -56.551 bonds (distance) P-C4' energy: -63.145 flat angles C4'-P-C4' energy: -43.883 flat angles P-C4'-P energy: -21.773 tors. eta vs tors. theta energy: 10.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1151.430600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.430600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.430600 (E_RNA) where: Base-Base interactions energy: -798.189 where: short stacking energy: -338.137 Base-Backbone interact. energy: -2.336 local terms energy: -350.905608 where: bonds (distance) C4'-P energy: -61.593 bonds (distance) P-C4' energy: -67.087 flat angles C4'-P-C4' energy: -73.167 flat angles P-C4'-P energy: -49.814 tors. eta vs tors. theta energy: -99.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1119.961885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.961885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.961885 (E_RNA) where: Base-Base interactions energy: -786.174 where: short stacking energy: -323.229 Base-Backbone interact. energy: -1.217 local terms energy: -332.570187 where: bonds (distance) C4'-P energy: -55.137 bonds (distance) P-C4' energy: -72.394 flat angles C4'-P-C4' energy: -71.116 flat angles P-C4'-P energy: -40.904 tors. eta vs tors. theta energy: -93.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1038.047790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.047790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.047790 (E_RNA) where: Base-Base interactions energy: -729.391 where: short stacking energy: -297.561 Base-Backbone interact. energy: -0.760 local terms energy: -307.897175 where: bonds (distance) C4'-P energy: -60.971 bonds (distance) P-C4' energy: -51.710 flat angles C4'-P-C4' energy: -61.367 flat angles P-C4'-P energy: -47.177 tors. eta vs tors. theta energy: -86.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -924.550309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.550309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.550309 (E_RNA) where: Base-Base interactions energy: -619.855 where: short stacking energy: -291.143 Base-Backbone interact. energy: -0.879 local terms energy: -303.816696 where: bonds (distance) C4'-P energy: -55.985 bonds (distance) P-C4' energy: -61.489 flat angles C4'-P-C4' energy: -67.178 flat angles P-C4'-P energy: -42.979 tors. eta vs tors. theta energy: -76.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -894.677596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.677596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.677596 (E_RNA) where: Base-Base interactions energy: -586.573 where: short stacking energy: -249.184 Base-Backbone interact. energy: -1.169 local terms energy: -306.935493 where: bonds (distance) C4'-P energy: -57.707 bonds (distance) P-C4' energy: -62.857 flat angles C4'-P-C4' energy: -66.358 flat angles P-C4'-P energy: -41.579 tors. eta vs tors. theta energy: -78.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -821.140672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.140672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.140672 (E_RNA) where: Base-Base interactions energy: -537.935 where: short stacking energy: -266.633 Base-Backbone interact. energy: 0.112 local terms energy: -283.318278 where: bonds (distance) C4'-P energy: -67.002 bonds (distance) P-C4' energy: -52.692 flat angles C4'-P-C4' energy: -66.768 flat angles P-C4'-P energy: -30.182 tors. eta vs tors. theta energy: -66.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -692.581293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.581293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.581293 (E_RNA) where: Base-Base interactions energy: -457.155 where: short stacking energy: -219.166 Base-Backbone interact. energy: 0.812 local terms energy: -236.237616 where: bonds (distance) C4'-P energy: -51.209 bonds (distance) P-C4' energy: -43.585 flat angles C4'-P-C4' energy: -61.314 flat angles P-C4'-P energy: -28.870 tors. eta vs tors. theta energy: -51.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -514.906684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.906684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.906684 (E_RNA) where: Base-Base interactions energy: -292.397 where: short stacking energy: -155.398 Base-Backbone interact. energy: -2.180 local terms energy: -220.330036 where: bonds (distance) C4'-P energy: -46.099 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -54.039 flat angles P-C4'-P energy: -27.869 tors. eta vs tors. theta energy: -29.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -297.962791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.962791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.962791 (E_RNA) where: Base-Base interactions energy: -121.882 where: short stacking energy: -89.976 Base-Backbone interact. energy: -1.026 local terms energy: -175.054607 where: bonds (distance) C4'-P energy: -59.863 bonds (distance) P-C4' energy: -50.331 flat angles C4'-P-C4' energy: -59.276 flat angles P-C4'-P energy: -18.504 tors. eta vs tors. theta energy: 12.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -257.402987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.402987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.402987 (E_RNA) where: Base-Base interactions energy: -84.182 where: short stacking energy: -58.317 Base-Backbone interact. energy: -1.217 local terms energy: -172.003717 where: bonds (distance) C4'-P energy: -47.309 bonds (distance) P-C4' energy: -55.653 flat angles C4'-P-C4' energy: -56.069 flat angles P-C4'-P energy: -20.555 tors. eta vs tors. theta energy: 7.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/Tbroco_test-0ea15655_01 DONE DONE ================================== temp. level: 1, replica: 10 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1143.755611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.755611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.755611 (E_RNA) where: Base-Base interactions energy: -795.822 where: short stacking energy: -334.673 Base-Backbone interact. energy: 1.081 local terms energy: -349.015148 where: bonds (distance) C4'-P energy: -61.345 bonds (distance) P-C4' energy: -65.271 flat angles C4'-P-C4' energy: -77.725 flat angles P-C4'-P energy: -45.001 tors. eta vs tors. theta energy: -99.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1151.926126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.926126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.926126 (E_RNA) where: Base-Base interactions energy: -808.229 where: short stacking energy: -315.131 Base-Backbone interact. energy: -3.825 local terms energy: -339.871798 where: bonds (distance) C4'-P energy: -69.271 bonds (distance) P-C4' energy: -70.518 flat angles C4'-P-C4' energy: -66.704 flat angles P-C4'-P energy: -46.950 tors. eta vs tors. theta energy: -86.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1040.426658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.426658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.426658 (E_RNA) where: Base-Base interactions energy: -707.805 where: short stacking energy: -302.976 Base-Backbone interact. energy: -1.137 local terms energy: -331.483927 where: bonds (distance) C4'-P energy: -65.637 bonds (distance) P-C4' energy: -63.556 flat angles C4'-P-C4' energy: -64.548 flat angles P-C4'-P energy: -40.798 tors. eta vs tors. theta energy: -96.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -920.507217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.507217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.507217 (E_RNA) where: Base-Base interactions energy: -610.282 where: short stacking energy: -270.526 Base-Backbone interact. energy: -2.339 local terms energy: -307.886083 where: bonds (distance) C4'-P energy: -64.424 bonds (distance) P-C4' energy: -56.449 flat angles C4'-P-C4' energy: -66.404 flat angles P-C4'-P energy: -43.078 tors. eta vs tors. theta energy: -77.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -886.768920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.768920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.768920 (E_RNA) where: Base-Base interactions energy: -600.623 where: short stacking energy: -277.967 Base-Backbone interact. energy: -0.720 local terms energy: -285.425717 where: bonds (distance) C4'-P energy: -43.680 bonds (distance) P-C4' energy: -58.961 flat angles C4'-P-C4' energy: -61.686 flat angles P-C4'-P energy: -45.778 tors. eta vs tors. theta energy: -75.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -791.316168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.316168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.316168 (E_RNA) where: Base-Base interactions energy: -517.369 where: short stacking energy: -245.463 Base-Backbone interact. energy: -0.013 local terms energy: -273.933758 where: bonds (distance) C4'-P energy: -62.104 bonds (distance) P-C4' energy: -45.576 flat angles C4'-P-C4' energy: -69.774 flat angles P-C4'-P energy: -33.041 tors. eta vs tors. theta energy: -63.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -721.818003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.818003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.818003 (E_RNA) where: Base-Base interactions energy: -439.633 where: short stacking energy: -201.407 Base-Backbone interact. energy: -0.767 local terms energy: -281.418495 where: bonds (distance) C4'-P energy: -55.188 bonds (distance) P-C4' energy: -63.495 flat angles C4'-P-C4' energy: -60.992 flat angles P-C4'-P energy: -43.633 tors. eta vs tors. theta energy: -58.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -524.628306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.628306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.628306 (E_RNA) where: Base-Base interactions energy: -315.408 where: short stacking energy: -181.029 Base-Backbone interact. energy: -1.389 local terms energy: -207.831983 where: bonds (distance) C4'-P energy: -51.711 bonds (distance) P-C4' energy: -44.263 flat angles C4'-P-C4' energy: -51.467 flat angles P-C4'-P energy: -31.209 tors. eta vs tors. theta energy: -29.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -299.786900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.786900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.786900 (E_RNA) where: Base-Base interactions energy: -134.536 where: short stacking energy: -101.321 Base-Backbone interact. energy: -0.923 local terms energy: -164.327410 where: bonds (distance) C4'-P energy: -41.709 bonds (distance) P-C4' energy: -54.007 flat angles C4'-P-C4' energy: -44.116 flat angles P-C4'-P energy: -20.223 tors. eta vs tors. theta energy: -4.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -259.413408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.413408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.413408 (E_RNA) where: Base-Base interactions energy: -105.675 where: short stacking energy: -95.068 Base-Backbone interact. energy: 2.196 local terms energy: -155.934368 where: bonds (distance) C4'-P energy: -46.885 bonds (distance) P-C4' energy: -39.874 flat angles C4'-P-C4' energy: -43.951 flat angles P-C4'-P energy: -15.586 tors. eta vs tors. theta energy: -9.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)