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/GcvB-S-146d3167/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GcvB-S-146d3167/inputs/seq.fa: 1 curr_seq: _ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU 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 202 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: 1015 n_atoms_counter: 1015 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 202.000000 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/GcvB-S-146d3167/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GcvB-S-146d3167/inputs/seq.fa: 1 curr_seq: _ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU 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 202 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: 1015 n_atoms_counter: 1015 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 202.000000 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/GcvB-S-146d3167/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GcvB-S-146d3167/inputs/seq.fa: 1 curr_seq: _ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU 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 202 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: 1015 n_atoms_counter: 1015 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 202.000000 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/GcvB-S-146d3167/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GcvB-S-146d3167/inputs/seq.fa: 1 curr_seq: _ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU 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 202 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: 1015 n_atoms_counter: 1015 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 202.000000 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/GcvB-S-146d3167/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GcvB-S-146d3167/inputs/seq.fa: 1 curr_seq: _ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU 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 202 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: 1015 n_atoms_counter: 1015 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 202.000000 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/GcvB-S-146d3167/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GcvB-S-146d3167/inputs/seq.fa: 1 curr_seq: _ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU 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 202 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: 1015 n_atoms_counter: 1015 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 202.000000 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/GcvB-S-146d3167/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GcvB-S-146d3167/inputs/seq.fa: 1 curr_seq: _ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU 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 202 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: 1015 n_atoms_counter: 1015 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 202.000000 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/GcvB-S-146d3167/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GcvB-S-146d3167/inputs/seq.fa: 1 curr_seq: _ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU 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 202 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: 1015 n_atoms_counter: 1015 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 202.000000 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/GcvB-S-146d3167/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GcvB-S-146d3167/inputs/seq.fa: 1 curr_seq: _ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU 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 202 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: 1015 n_atoms_counter: 1015 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 202.000000 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/GcvB-S-146d3167/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GcvB-S-146d3167/inputs/seq.fa: 1 curr_seq: _ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUUCCCGGGCCGGAACGAAAAGGGAGUGGGUGUCGAGGACGCCGAUGAACUUUUGGCUUGUGGUUGUGAUGUUGUGUUUGCAAAUUGUCCGGCGAUUCCGGACAUGGUAGCUAGGCUACUGUUUUUUCACUUCCUGUACAUUUACCCUGUCUGUCCAUAGUGAUUUUAUGCAGCACCGCAAAACUUGCGGUGCUUUUUUUU 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 202 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: 1015 n_atoms_counter: 1015 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 202.000000 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: -813.292977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.292977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.292977 (E_RNA) where: Base-Base interactions energy: -27.065 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.000 local terms energy: -786.227866 where: bonds (distance) C4'-P energy: -196.259 bonds (distance) P-C4' energy: -181.614 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -169.655 tors. eta vs tors. theta energy: -90.387 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -813.292977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.292977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.292977 (E_RNA) where: Base-Base interactions energy: -27.065 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.000 local terms energy: -786.227866 where: bonds (distance) C4'-P energy: -196.259 bonds (distance) P-C4' energy: -181.614 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -169.655 tors. eta vs tors. theta energy: -90.387 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -813.292977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.292977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.292977 (E_RNA) where: Base-Base interactions energy: -27.065 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.000 local terms energy: -786.227866 where: bonds (distance) C4'-P energy: -196.259 bonds (distance) P-C4' energy: -181.614 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -169.655 tors. eta vs tors. theta energy: -90.387 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -813.292977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.292977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.292977 (E_RNA) where: Base-Base interactions energy: -27.065 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.000 local terms energy: -786.227866 where: bonds (distance) C4'-P energy: -196.259 bonds (distance) P-C4' energy: -181.614 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -169.655 tors. eta vs tors. theta energy: -90.387 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -813.292977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.292977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.292977 (E_RNA) where: Base-Base interactions energy: -27.065 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.000 local terms energy: -786.227866 where: bonds (distance) C4'-P energy: -196.259 bonds (distance) P-C4' energy: -181.614 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -169.655 tors. eta vs tors. theta energy: -90.387 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -813.292977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.292977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.292977 (E_RNA) where: Base-Base interactions energy: -27.065 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.000 local terms energy: -786.227866 where: bonds (distance) C4'-P energy: -196.259 bonds (distance) P-C4' energy: -181.614 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -169.655 tors. eta vs tors. theta energy: -90.387 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: 1 Temperature: 1.200000 Total energy: -813.292977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.292977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.292977 (E_RNA) where: Base-Base interactions energy: -27.065 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.000 local terms energy: -786.227866 where: bonds (distance) C4'-P energy: -196.259 bonds (distance) P-C4' energy: -181.614 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -169.655 tors. eta vs tors. theta energy: -90.387 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: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -813.292977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.292977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.292977 (E_RNA) where: Base-Base interactions energy: -27.065 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.000 local terms energy: -786.227866 where: bonds (distance) C4'-P energy: -196.259 bonds (distance) P-C4' energy: -181.614 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -169.655 tors. eta vs tors. theta energy: -90.387 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -813.292977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.292977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.292977 (E_RNA) where: Base-Base interactions energy: -27.065 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.000 local terms energy: -786.227866 where: bonds (distance) C4'-P energy: -196.259 bonds (distance) P-C4' energy: -181.614 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -169.655 tors. eta vs tors. theta energy: -90.387 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -813.292977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.292977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.292977 (E_RNA) where: Base-Base interactions energy: -27.065 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.000 local terms energy: -786.227866 where: bonds (distance) C4'-P energy: -196.259 bonds (distance) P-C4' energy: -181.614 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -169.655 tors. eta vs tors. theta energy: -90.387 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1005.276306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.276306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.276306 (E_RNA) where: Base-Base interactions energy: -418.775 where: short stacking energy: -407.612 Base-Backbone interact. energy: -0.518 local terms energy: -585.983053 where: bonds (distance) C4'-P energy: -131.782 bonds (distance) P-C4' energy: -144.836 flat angles C4'-P-C4' energy: -133.743 flat angles P-C4'-P energy: -75.608 tors. eta vs tors. theta energy: -100.015 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -921.819896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.819896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.819896 (E_RNA) where: Base-Base interactions energy: -372.350 where: short stacking energy: -369.648 Base-Backbone interact. energy: 0.952 local terms energy: -550.421729 where: bonds (distance) C4'-P energy: -119.105 bonds (distance) P-C4' energy: -127.241 flat angles C4'-P-C4' energy: -117.045 flat angles P-C4'-P energy: -92.159 tors. eta vs tors. theta energy: -94.872 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -874.490201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.490201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.490201 (E_RNA) where: Base-Base interactions energy: -356.966 where: short stacking energy: -356.894 Base-Backbone interact. energy: -0.112 local terms energy: -517.412118 where: bonds (distance) C4'-P energy: -115.170 bonds (distance) P-C4' energy: -112.970 flat angles C4'-P-C4' energy: -118.955 flat angles P-C4'-P energy: -75.984 tors. eta vs tors. theta energy: -94.333 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -822.272441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.272441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.272441 (E_RNA) where: Base-Base interactions energy: -196.478 where: short stacking energy: -196.478 Base-Backbone interact. energy: -0.001 local terms energy: -625.794233 where: bonds (distance) C4'-P energy: -120.793 bonds (distance) P-C4' energy: -116.491 flat angles C4'-P-C4' energy: -150.432 flat angles P-C4'-P energy: -140.960 tors. eta vs tors. theta energy: -97.119 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: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -814.065031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.065031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.065031 (E_RNA) where: Base-Base interactions energy: -28.177 where: short stacking energy: -28.177 Base-Backbone interact. energy: -0.000 local terms energy: -785.887710 where: bonds (distance) C4'-P energy: -196.143 bonds (distance) P-C4' energy: -181.608 flat angles C4'-P-C4' energy: -148.017 flat angles P-C4'-P energy: -169.580 tors. eta vs tors. theta energy: -90.540 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: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -814.064771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.064771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.064771 (E_RNA) where: Base-Base interactions energy: -28.177 where: short stacking energy: -28.177 Base-Backbone interact. energy: -0.000 local terms energy: -785.887710 where: bonds (distance) C4'-P energy: -196.143 bonds (distance) P-C4' energy: -181.608 flat angles C4'-P-C4' energy: -148.017 flat angles P-C4'-P energy: -169.580 tors. eta vs tors. theta energy: -90.540 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -813.813602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.813602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.813602 (E_RNA) where: Base-Base interactions energy: -28.177 where: short stacking energy: -28.177 Base-Backbone interact. energy: -0.000 local terms energy: -785.636799 where: bonds (distance) C4'-P energy: -196.143 bonds (distance) P-C4' energy: -181.608 flat angles C4'-P-C4' energy: -147.728 flat angles P-C4'-P energy: -169.618 tors. eta vs tors. theta energy: -90.540 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -813.008541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.008541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.008541 (E_RNA) where: Base-Base interactions energy: -29.531 where: short stacking energy: -29.531 Base-Backbone interact. energy: -0.000 local terms energy: -783.477273 where: bonds (distance) C4'-P energy: -194.938 bonds (distance) P-C4' energy: -181.347 flat angles C4'-P-C4' energy: -147.001 flat angles P-C4'-P energy: -169.496 tors. eta vs tors. theta energy: -90.696 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: 2 Temperature: 1.300000 Total energy: -828.308990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.308990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.308990 (E_RNA) where: Base-Base interactions energy: -68.950 where: short stacking energy: -68.950 Base-Backbone interact. energy: -0.000 local terms energy: -759.359010 where: bonds (distance) C4'-P energy: -179.567 bonds (distance) P-C4' energy: -171.782 flat angles C4'-P-C4' energy: -147.284 flat angles P-C4'-P energy: -165.565 tors. eta vs tors. theta energy: -95.162 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -815.946006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.946006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.946006 (E_RNA) where: Base-Base interactions energy: -68.589 where: short stacking energy: -68.589 Base-Backbone interact. energy: -0.000 local terms energy: -747.357063 where: bonds (distance) C4'-P energy: -176.030 bonds (distance) P-C4' energy: -161.479 flat angles C4'-P-C4' energy: -148.090 flat angles P-C4'-P energy: -163.736 tors. eta vs tors. theta energy: -98.022 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1033.693895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.693895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.693895 (E_RNA) where: Base-Base interactions energy: -448.291 where: short stacking energy: -442.592 Base-Backbone interact. energy: -0.128 local terms energy: -585.275014 where: bonds (distance) C4'-P energy: -128.107 bonds (distance) P-C4' energy: -131.517 flat angles C4'-P-C4' energy: -128.915 flat angles P-C4'-P energy: -79.197 tors. eta vs tors. theta energy: -117.539 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: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -941.847296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.847296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.847296 (E_RNA) where: Base-Base interactions energy: -414.721 where: short stacking energy: -397.451 Base-Backbone interact. energy: -0.521 local terms energy: -526.605611 where: bonds (distance) C4'-P energy: -128.668 bonds (distance) P-C4' energy: -117.285 flat angles C4'-P-C4' energy: -118.560 flat angles P-C4'-P energy: -77.680 tors. eta vs tors. theta energy: -84.413 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -874.046201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.046201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.046201 (E_RNA) where: Base-Base interactions energy: -368.289 where: short stacking energy: -365.030 Base-Backbone interact. energy: -0.932 local terms energy: -504.824410 where: bonds (distance) C4'-P energy: -109.571 bonds (distance) P-C4' energy: -129.379 flat angles C4'-P-C4' energy: -112.227 flat angles P-C4'-P energy: -73.776 tors. eta vs tors. theta energy: -79.870 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: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -830.307925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.307925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.307925 (E_RNA) where: Base-Base interactions energy: -358.415 where: short stacking energy: -292.242 Base-Backbone interact. energy: 2.814 local terms energy: -474.706608 where: bonds (distance) C4'-P energy: -118.054 bonds (distance) P-C4' energy: -125.728 flat angles C4'-P-C4' energy: -100.574 flat angles P-C4'-P energy: -73.635 tors. eta vs tors. theta energy: -56.716 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: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -755.088483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.088483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.088483 (E_RNA) where: Base-Base interactions energy: -303.818 where: short stacking energy: -276.462 Base-Backbone interact. energy: 1.006 local terms energy: -452.276875 where: bonds (distance) C4'-P energy: -111.772 bonds (distance) P-C4' energy: -116.626 flat angles C4'-P-C4' energy: -100.821 flat angles P-C4'-P energy: -72.355 tors. eta vs tors. theta energy: -50.703 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: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -700.858040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.858040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.858040 (E_RNA) where: Base-Base interactions energy: -251.351 where: short stacking energy: -232.329 Base-Backbone interact. energy: -1.890 local terms energy: -447.616548 where: bonds (distance) C4'-P energy: -103.620 bonds (distance) P-C4' energy: -133.330 flat angles C4'-P-C4' energy: -107.989 flat angles P-C4'-P energy: -65.243 tors. eta vs tors. theta energy: -37.434 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: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -639.854834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.854834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.854834 (E_RNA) where: Base-Base interactions energy: -244.495 where: short stacking energy: -223.410 Base-Backbone interact. energy: 0.416 local terms energy: -395.775970 where: bonds (distance) C4'-P energy: -100.125 bonds (distance) P-C4' energy: -114.621 flat angles C4'-P-C4' energy: -103.733 flat angles P-C4'-P energy: -46.785 tors. eta vs tors. theta energy: -30.512 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: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -551.733317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.733317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.733317 (E_RNA) where: Base-Base interactions energy: -181.535 where: short stacking energy: -173.562 Base-Backbone interact. energy: 1.306 local terms energy: -371.503657 where: bonds (distance) C4'-P energy: -93.639 bonds (distance) P-C4' energy: -105.525 flat angles C4'-P-C4' energy: -98.117 flat angles P-C4'-P energy: -56.809 tors. eta vs tors. theta energy: -17.413 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: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -586.397319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.397319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.397319 (E_RNA) where: Base-Base interactions energy: -200.271 where: short stacking energy: -175.204 Base-Backbone interact. energy: -1.075 local terms energy: -385.050953 where: bonds (distance) C4'-P energy: -113.311 bonds (distance) P-C4' energy: -98.854 flat angles C4'-P-C4' energy: -113.557 flat angles P-C4'-P energy: -50.662 tors. eta vs tors. theta energy: -8.667 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -497.322192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.322192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.322192 (E_RNA) where: Base-Base interactions energy: -175.706 where: short stacking energy: -131.646 Base-Backbone interact. energy: 1.646 local terms energy: -323.261598 where: bonds (distance) C4'-P energy: -100.078 bonds (distance) P-C4' energy: -98.111 flat angles C4'-P-C4' energy: -92.763 flat angles P-C4'-P energy: -46.647 tors. eta vs tors. theta energy: 14.337 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1093.990753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.990753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.990753 (E_RNA) where: Base-Base interactions energy: -519.073 where: short stacking energy: -433.292 Base-Backbone interact. energy: 0.169 local terms energy: -575.086856 where: bonds (distance) C4'-P energy: -122.265 bonds (distance) P-C4' energy: -130.162 flat angles C4'-P-C4' energy: -141.521 flat angles P-C4'-P energy: -85.063 tors. eta vs tors. theta energy: -96.077 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: 4 Temperature: 0.950000 Total energy: -983.108108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.108108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.108108 (E_RNA) where: Base-Base interactions energy: -440.297 where: short stacking energy: -405.355 Base-Backbone interact. energy: -1.025 local terms energy: -541.785349 where: bonds (distance) C4'-P energy: -122.070 bonds (distance) P-C4' energy: -120.233 flat angles C4'-P-C4' energy: -131.519 flat angles P-C4'-P energy: -72.176 tors. eta vs tors. theta energy: -95.787 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: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -962.110393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.110393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.110393 (E_RNA) where: Base-Base interactions energy: -430.262 where: short stacking energy: -350.512 Base-Backbone interact. energy: -1.622 local terms energy: -530.225769 where: bonds (distance) C4'-P energy: -113.254 bonds (distance) P-C4' energy: -132.362 flat angles C4'-P-C4' energy: -123.879 flat angles P-C4'-P energy: -83.545 tors. eta vs tors. theta energy: -77.186 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -833.919635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.919635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.919635 (E_RNA) where: Base-Base interactions energy: -361.281 where: short stacking energy: -290.751 Base-Backbone interact. energy: -2.532 local terms energy: -470.107262 where: bonds (distance) C4'-P energy: -112.881 bonds (distance) P-C4' energy: -123.256 flat angles C4'-P-C4' energy: -106.534 flat angles P-C4'-P energy: -80.280 tors. eta vs tors. theta energy: -47.155 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: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -793.227829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.227829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.227829 (E_RNA) where: Base-Base interactions energy: -373.043 where: short stacking energy: -288.876 Base-Backbone interact. energy: -1.692 local terms energy: -418.493474 where: bonds (distance) C4'-P energy: -105.084 bonds (distance) P-C4' energy: -107.723 flat angles C4'-P-C4' energy: -99.052 flat angles P-C4'-P energy: -69.516 tors. eta vs tors. theta energy: -37.117 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: 4 Temperature: 1.150000 Total energy: -681.057596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.057596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.057596 (E_RNA) where: Base-Base interactions energy: -281.941 where: short stacking energy: -223.156 Base-Backbone interact. energy: -0.984 local terms energy: -398.132896 where: bonds (distance) C4'-P energy: -122.836 bonds (distance) P-C4' energy: -106.034 flat angles C4'-P-C4' energy: -97.256 flat angles P-C4'-P energy: -56.866 tors. eta vs tors. theta energy: -15.140 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: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -636.780494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.780494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.780494 (E_RNA) where: Base-Base interactions energy: -239.753 where: short stacking energy: -205.824 Base-Backbone interact. energy: 0.914 local terms energy: -397.941947 where: bonds (distance) C4'-P energy: -108.101 bonds (distance) P-C4' energy: -118.378 flat angles C4'-P-C4' energy: -104.238 flat angles P-C4'-P energy: -55.047 tors. eta vs tors. theta energy: -12.177 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: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -570.789733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.789733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.789733 (E_RNA) where: Base-Base interactions energy: -205.569 where: short stacking energy: -191.110 Base-Backbone interact. energy: -3.896 local terms energy: -361.324350 where: bonds (distance) C4'-P energy: -87.858 bonds (distance) P-C4' energy: -123.064 flat angles C4'-P-C4' energy: -90.758 flat angles P-C4'-P energy: -54.120 tors. eta vs tors. theta energy: -5.524 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: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -515.633108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.633108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.633108 (E_RNA) where: Base-Base interactions energy: -173.320 where: short stacking energy: -163.818 Base-Backbone interact. energy: 2.900 local terms energy: -345.212508 where: bonds (distance) C4'-P energy: -99.536 bonds (distance) P-C4' energy: -117.501 flat angles C4'-P-C4' energy: -89.382 flat angles P-C4'-P energy: -53.119 tors. eta vs tors. theta energy: 14.324 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: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -542.129801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.129801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.129801 (E_RNA) where: Base-Base interactions energy: -202.106 where: short stacking energy: -157.412 Base-Backbone interact. energy: 2.540 local terms energy: -342.563069 where: bonds (distance) C4'-P energy: -110.202 bonds (distance) P-C4' energy: -110.234 flat angles C4'-P-C4' energy: -89.149 flat angles P-C4'-P energy: -37.802 tors. eta vs tors. theta energy: 4.823 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1103.513907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.513907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.513907 (E_RNA) where: Base-Base interactions energy: -514.841 where: short stacking energy: -425.703 Base-Backbone interact. energy: -0.490 local terms energy: -588.182680 where: bonds (distance) C4'-P energy: -135.212 bonds (distance) P-C4' energy: -133.324 flat angles C4'-P-C4' energy: -123.566 flat angles P-C4'-P energy: -88.570 tors. eta vs tors. theta energy: -107.510 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: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -985.458811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.458811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.458811 (E_RNA) where: Base-Base interactions energy: -431.770 where: short stacking energy: -383.007 Base-Backbone interact. energy: -0.468 local terms energy: -553.220491 where: bonds (distance) C4'-P energy: -115.359 bonds (distance) P-C4' energy: -126.179 flat angles C4'-P-C4' energy: -137.576 flat angles P-C4'-P energy: -77.103 tors. eta vs tors. theta energy: -97.004 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: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -978.287144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.287144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.287144 (E_RNA) where: Base-Base interactions energy: -491.293 where: short stacking energy: -369.853 Base-Backbone interact. energy: 0.397 local terms energy: -487.391286 where: bonds (distance) C4'-P energy: -117.821 bonds (distance) P-C4' energy: -102.843 flat angles C4'-P-C4' energy: -116.246 flat angles P-C4'-P energy: -73.626 tors. eta vs tors. theta energy: -76.856 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: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -934.121157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.121157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.121157 (E_RNA) where: Base-Base interactions energy: -439.305 where: short stacking energy: -353.792 Base-Backbone interact. energy: -2.650 local terms energy: -492.166231 where: bonds (distance) C4'-P energy: -127.225 bonds (distance) P-C4' energy: -124.838 flat angles C4'-P-C4' energy: -115.589 flat angles P-C4'-P energy: -56.342 tors. eta vs tors. theta energy: -68.172 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: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -764.808852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.808852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.808852 (E_RNA) where: Base-Base interactions energy: -322.928 where: short stacking energy: -264.594 Base-Backbone interact. energy: -3.492 local terms energy: -438.388868 where: bonds (distance) C4'-P energy: -96.902 bonds (distance) P-C4' energy: -117.401 flat angles C4'-P-C4' energy: -114.029 flat angles P-C4'-P energy: -82.503 tors. eta vs tors. theta energy: -27.554 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: 5 Temperature: 1.150000 Total energy: -753.745071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.745071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.745071 (E_RNA) where: Base-Base interactions energy: -344.722 where: short stacking energy: -254.742 Base-Backbone interact. energy: 2.801 local terms energy: -411.824499 where: bonds (distance) C4'-P energy: -102.033 bonds (distance) P-C4' energy: -102.527 flat angles C4'-P-C4' energy: -109.297 flat angles P-C4'-P energy: -57.852 tors. eta vs tors. theta energy: -40.116 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: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -617.728041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.728041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.728041 (E_RNA) where: Base-Base interactions energy: -266.603 where: short stacking energy: -211.748 Base-Backbone interact. energy: 6.940 local terms energy: -358.064438 where: bonds (distance) C4'-P energy: -113.052 bonds (distance) P-C4' energy: -101.660 flat angles C4'-P-C4' energy: -85.948 flat angles P-C4'-P energy: -41.296 tors. eta vs tors. theta energy: -16.109 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: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -583.488893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.488893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.488893 (E_RNA) where: Base-Base interactions energy: -210.226 where: short stacking energy: -194.264 Base-Backbone interact. energy: -1.014 local terms energy: -372.248866 where: bonds (distance) C4'-P energy: -102.389 bonds (distance) P-C4' energy: -114.038 flat angles C4'-P-C4' energy: -78.790 flat angles P-C4'-P energy: -66.740 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: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -570.898930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.898930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.898930 (E_RNA) where: Base-Base interactions energy: -244.522 where: short stacking energy: -176.427 Base-Backbone interact. energy: 4.442 local terms energy: -330.819437 where: bonds (distance) C4'-P energy: -90.643 bonds (distance) P-C4' energy: -90.441 flat angles C4'-P-C4' energy: -88.599 flat angles P-C4'-P energy: -70.010 tors. eta vs tors. theta energy: 8.874 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: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -546.901678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.901678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.901678 (E_RNA) where: Base-Base interactions energy: -216.802 where: short stacking energy: -164.504 Base-Backbone interact. energy: 2.788 local terms energy: -332.887101 where: bonds (distance) C4'-P energy: -97.166 bonds (distance) P-C4' energy: -100.863 flat angles C4'-P-C4' energy: -93.268 flat angles P-C4'-P energy: -46.148 tors. eta vs tors. theta energy: 4.558 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: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1078.000287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.000287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.000287 (E_RNA) where: Base-Base interactions energy: -514.024 where: short stacking energy: -449.076 Base-Backbone interact. energy: -0.672 local terms energy: -563.303905 where: bonds (distance) C4'-P energy: -104.763 bonds (distance) P-C4' energy: -130.757 flat angles C4'-P-C4' energy: -131.888 flat angles P-C4'-P energy: -91.354 tors. eta vs tors. theta energy: -104.542 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: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1017.845818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.845818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.845818 (E_RNA) where: Base-Base interactions energy: -458.923 where: short stacking energy: -419.375 Base-Backbone interact. energy: -0.069 local terms energy: -558.853155 where: bonds (distance) C4'-P energy: -123.368 bonds (distance) P-C4' energy: -113.433 flat angles C4'-P-C4' energy: -134.325 flat angles P-C4'-P energy: -83.789 tors. eta vs tors. theta energy: -103.938 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: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -989.135404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.135404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.135404 (E_RNA) where: Base-Base interactions energy: -469.577 where: short stacking energy: -319.896 Base-Backbone interact. energy: -0.912 local terms energy: -518.646036 where: bonds (distance) C4'-P energy: -129.108 bonds (distance) P-C4' energy: -131.014 flat angles C4'-P-C4' energy: -121.259 flat angles P-C4'-P energy: -71.917 tors. eta vs tors. theta energy: -65.348 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: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -874.486997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.486997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.486997 (E_RNA) where: Base-Base interactions energy: -384.864 where: short stacking energy: -298.462 Base-Backbone interact. energy: 2.662 local terms energy: -492.285254 where: bonds (distance) C4'-P energy: -104.916 bonds (distance) P-C4' energy: -119.606 flat angles C4'-P-C4' energy: -130.495 flat angles P-C4'-P energy: -78.048 tors. eta vs tors. theta energy: -59.220 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: 5, replica: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -831.985111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.985111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.985111 (E_RNA) where: Base-Base interactions energy: -362.023 where: short stacking energy: -248.570 Base-Backbone interact. energy: -2.885 local terms energy: -467.077687 where: bonds (distance) C4'-P energy: -118.062 bonds (distance) P-C4' energy: -119.823 flat angles C4'-P-C4' energy: -124.670 flat angles P-C4'-P energy: -77.964 tors. eta vs tors. theta energy: -26.558 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: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -735.847711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.847711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.847711 (E_RNA) where: Base-Base interactions energy: -329.545 where: short stacking energy: -229.904 Base-Backbone interact. energy: -0.914 local terms energy: -405.388495 where: bonds (distance) C4'-P energy: -98.563 bonds (distance) P-C4' energy: -121.341 flat angles C4'-P-C4' energy: -97.903 flat angles P-C4'-P energy: -67.010 tors. eta vs tors. theta energy: -20.572 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: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -660.015177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.015177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.015177 (E_RNA) where: Base-Base interactions energy: -251.150 where: short stacking energy: -203.473 Base-Backbone interact. energy: 8.536 local terms energy: -417.401367 where: bonds (distance) C4'-P energy: -98.703 bonds (distance) P-C4' energy: -117.012 flat angles C4'-P-C4' energy: -117.205 flat angles P-C4'-P energy: -70.488 tors. eta vs tors. theta energy: -13.992 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: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -591.397130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.397130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.397130 (E_RNA) where: Base-Base interactions energy: -230.343 where: short stacking energy: -173.607 Base-Backbone interact. energy: -0.668 local terms energy: -360.386284 where: bonds (distance) C4'-P energy: -101.352 bonds (distance) P-C4' energy: -117.236 flat angles C4'-P-C4' energy: -92.815 flat angles P-C4'-P energy: -49.630 tors. eta vs tors. theta energy: 0.646 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: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -560.541308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.541308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.541308 (E_RNA) where: Base-Base interactions energy: -241.545 where: short stacking energy: -141.166 Base-Backbone interact. energy: -3.575 local terms energy: -315.420558 where: bonds (distance) C4'-P energy: -106.016 bonds (distance) P-C4' energy: -116.754 flat angles C4'-P-C4' energy: -80.598 flat angles P-C4'-P energy: -36.166 tors. eta vs tors. theta energy: 24.112 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: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -505.316389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.316389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.316389 (E_RNA) where: Base-Base interactions energy: -169.266 where: short stacking energy: -123.016 Base-Backbone interact. energy: -1.443 local terms energy: -334.608195 where: bonds (distance) C4'-P energy: -98.538 bonds (distance) P-C4' energy: -118.801 flat angles C4'-P-C4' energy: -98.632 flat angles P-C4'-P energy: -37.134 tors. eta vs tors. theta energy: 18.498 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: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1149.027945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.027945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.027945 (E_RNA) where: Base-Base interactions energy: -587.500 where: short stacking energy: -468.299 Base-Backbone interact. energy: 1.215 local terms energy: -562.742976 where: bonds (distance) C4'-P energy: -113.815 bonds (distance) P-C4' energy: -121.647 flat angles C4'-P-C4' energy: -138.344 flat angles P-C4'-P energy: -81.124 tors. eta vs tors. theta energy: -107.812 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: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1031.563848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.563848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.563848 (E_RNA) where: Base-Base interactions energy: -482.318 where: short stacking energy: -407.021 Base-Backbone interact. energy: -1.354 local terms energy: -547.892001 where: bonds (distance) C4'-P energy: -116.685 bonds (distance) P-C4' energy: -130.387 flat angles C4'-P-C4' energy: -129.557 flat angles P-C4'-P energy: -83.493 tors. eta vs tors. theta energy: -87.770 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: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1014.860157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.860157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.860157 (E_RNA) where: Base-Base interactions energy: -511.469 where: short stacking energy: -367.402 Base-Backbone interact. energy: -0.993 local terms energy: -502.398299 where: bonds (distance) C4'-P energy: -107.169 bonds (distance) P-C4' energy: -121.031 flat angles C4'-P-C4' energy: -115.557 flat angles P-C4'-P energy: -76.523 tors. eta vs tors. theta energy: -82.118 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: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -916.024662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.024662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.024662 (E_RNA) where: Base-Base interactions energy: -423.966 where: short stacking energy: -299.246 Base-Backbone interact. energy: 1.087 local terms energy: -493.146057 where: bonds (distance) C4'-P energy: -112.587 bonds (distance) P-C4' energy: -127.550 flat angles C4'-P-C4' energy: -112.498 flat angles P-C4'-P energy: -79.193 tors. eta vs tors. theta energy: -61.318 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: 5, replica: 7 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -952.765819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.765819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.765819 (E_RNA) where: Base-Base interactions energy: -508.893 where: short stacking energy: -277.194 Base-Backbone interact. energy: -3.379 local terms energy: -440.493154 where: bonds (distance) C4'-P energy: -107.996 bonds (distance) P-C4' energy: -117.401 flat angles C4'-P-C4' energy: -116.449 flat angles P-C4'-P energy: -62.265 tors. eta vs tors. theta energy: -36.382 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: 6, replica: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -857.708954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.708954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.708954 (E_RNA) where: Base-Base interactions energy: -430.546 where: short stacking energy: -300.538 Base-Backbone interact. energy: -0.971 local terms energy: -426.192269 where: bonds (distance) C4'-P energy: -103.907 bonds (distance) P-C4' energy: -117.791 flat angles C4'-P-C4' energy: -113.553 flat angles P-C4'-P energy: -42.170 tors. eta vs tors. theta energy: -48.772 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: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -625.181124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.181124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.181124 (E_RNA) where: Base-Base interactions energy: -253.872 where: short stacking energy: -193.636 Base-Backbone interact. energy: -1.522 local terms energy: -369.787475 where: bonds (distance) C4'-P energy: -106.341 bonds (distance) P-C4' energy: -101.470 flat angles C4'-P-C4' energy: -108.249 flat angles P-C4'-P energy: -48.024 tors. eta vs tors. theta energy: -5.704 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: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -589.086535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.086535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.086535 (E_RNA) where: Base-Base interactions energy: -249.302 where: short stacking energy: -189.599 Base-Backbone interact. energy: -0.812 local terms energy: -338.972680 where: bonds (distance) C4'-P energy: -110.210 bonds (distance) P-C4' energy: -105.658 flat angles C4'-P-C4' energy: -79.062 flat angles P-C4'-P energy: -52.093 tors. eta vs tors. theta energy: 8.051 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: 9, replica: 6 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -545.266586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.266586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.266586 (E_RNA) where: Base-Base interactions energy: -194.091 where: short stacking energy: -161.632 Base-Backbone interact. energy: -0.935 local terms energy: -350.241261 where: bonds (distance) C4'-P energy: -94.769 bonds (distance) P-C4' energy: -106.171 flat angles C4'-P-C4' energy: -90.924 flat angles P-C4'-P energy: -69.617 tors. eta vs tors. theta energy: 11.240 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: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -478.736656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.736656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.736656 (E_RNA) where: Base-Base interactions energy: -176.195 where: short stacking energy: -128.731 Base-Backbone interact. energy: -2.883 local terms energy: -299.658764 where: bonds (distance) C4'-P energy: -84.604 bonds (distance) P-C4' energy: -103.905 flat angles C4'-P-C4' energy: -81.222 flat angles P-C4'-P energy: -48.252 tors. eta vs tors. theta energy: 18.324 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1172.664020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.664020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.664020 (E_RNA) where: Base-Base interactions energy: -586.294 where: short stacking energy: -472.527 Base-Backbone interact. energy: -1.835 local terms energy: -584.534778 where: bonds (distance) C4'-P energy: -121.535 bonds (distance) P-C4' energy: -129.176 flat angles C4'-P-C4' energy: -132.308 flat angles P-C4'-P energy: -83.703 tors. eta vs tors. theta energy: -117.813 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: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1082.460132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.460132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.460132 (E_RNA) where: Base-Base interactions energy: -531.648 where: short stacking energy: -395.143 Base-Backbone interact. energy: 1.411 local terms energy: -552.223213 where: bonds (distance) C4'-P energy: -111.940 bonds (distance) P-C4' energy: -135.531 flat angles C4'-P-C4' energy: -125.032 flat angles P-C4'-P energy: -96.729 tors. eta vs tors. theta energy: -82.992 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: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1061.996552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.996552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.996552 (E_RNA) where: Base-Base interactions energy: -531.733 where: short stacking energy: -376.798 Base-Backbone interact. energy: -0.113 local terms energy: -530.151173 where: bonds (distance) C4'-P energy: -109.882 bonds (distance) P-C4' energy: -126.304 flat angles C4'-P-C4' energy: -122.841 flat angles P-C4'-P energy: -78.997 tors. eta vs tors. theta energy: -92.127 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: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -997.680857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.680857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.680857 (E_RNA) where: Base-Base interactions energy: -502.163 where: short stacking energy: -287.604 Base-Backbone interact. energy: -1.135 local terms energy: -494.382564 where: bonds (distance) C4'-P energy: -103.758 bonds (distance) P-C4' energy: -125.919 flat angles C4'-P-C4' energy: -117.643 flat angles P-C4'-P energy: -83.923 tors. eta vs tors. theta energy: -63.140 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: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1034.337523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.337523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.337523 (E_RNA) where: Base-Base interactions energy: -581.135 where: short stacking energy: -326.031 Base-Backbone interact. energy: 4.177 local terms energy: -457.380151 where: bonds (distance) C4'-P energy: -114.227 bonds (distance) P-C4' energy: -114.254 flat angles C4'-P-C4' energy: -112.471 flat angles P-C4'-P energy: -61.885 tors. eta vs tors. theta energy: -54.542 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: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -857.781668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.781668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.781668 (E_RNA) where: Base-Base interactions energy: -411.882 where: short stacking energy: -254.255 Base-Backbone interact. energy: 3.688 local terms energy: -449.586928 where: bonds (distance) C4'-P energy: -116.913 bonds (distance) P-C4' energy: -117.930 flat angles C4'-P-C4' energy: -114.202 flat angles P-C4'-P energy: -65.035 tors. eta vs tors. theta energy: -35.506 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: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -639.437267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.437267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.437267 (E_RNA) where: Base-Base interactions energy: -254.637 where: short stacking energy: -204.517 Base-Backbone interact. energy: -0.708 local terms energy: -384.091892 where: bonds (distance) C4'-P energy: -97.465 bonds (distance) P-C4' energy: -116.664 flat angles C4'-P-C4' energy: -103.826 flat angles P-C4'-P energy: -67.390 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: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -646.716616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.716616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.716616 (E_RNA) where: Base-Base interactions energy: -269.627 where: short stacking energy: -199.278 Base-Backbone interact. energy: 2.480 local terms energy: -379.569458 where: bonds (distance) C4'-P energy: -102.549 bonds (distance) P-C4' energy: -112.876 flat angles C4'-P-C4' energy: -95.743 flat angles P-C4'-P energy: -68.904 tors. eta vs tors. theta energy: 0.503 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: 8 Temperature: 1.300000 Total energy: -532.398465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.398465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.398465 (E_RNA) where: Base-Base interactions energy: -214.061 where: short stacking energy: -144.251 Base-Backbone interact. energy: 1.281 local terms energy: -319.618876 where: bonds (distance) C4'-P energy: -80.005 bonds (distance) P-C4' energy: -97.586 flat angles C4'-P-C4' energy: -84.925 flat angles P-C4'-P energy: -66.582 tors. eta vs tors. theta energy: 9.479 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: 6 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -454.386289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.386289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.386289 (E_RNA) where: Base-Base interactions energy: -166.760 where: short stacking energy: -140.685 Base-Backbone interact. energy: 10.709 local terms energy: -298.336019 where: bonds (distance) C4'-P energy: -83.545 bonds (distance) P-C4' energy: -89.612 flat angles C4'-P-C4' energy: -79.510 flat angles P-C4'-P energy: -51.144 tors. eta vs tors. theta energy: 5.474 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: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1245.241671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.241671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.241671 (E_RNA) where: Base-Base interactions energy: -649.479 where: short stacking energy: -485.461 Base-Backbone interact. energy: -1.091 local terms energy: -594.671667 where: bonds (distance) C4'-P energy: -120.914 bonds (distance) P-C4' energy: -115.701 flat angles C4'-P-C4' energy: -133.901 flat angles P-C4'-P energy: -86.635 tors. eta vs tors. theta energy: -137.521 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: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1134.857670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.857670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.857670 (E_RNA) where: Base-Base interactions energy: -581.806 where: short stacking energy: -411.175 Base-Backbone interact. energy: 0.075 local terms energy: -553.126609 where: bonds (distance) C4'-P energy: -138.402 bonds (distance) P-C4' energy: -128.721 flat angles C4'-P-C4' energy: -111.359 flat angles P-C4'-P energy: -79.482 tors. eta vs tors. theta energy: -95.162 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: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1031.547285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.547285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.547285 (E_RNA) where: Base-Base interactions energy: -499.985 where: short stacking energy: -375.614 Base-Backbone interact. energy: -0.428 local terms energy: -531.134688 where: bonds (distance) C4'-P energy: -115.757 bonds (distance) P-C4' energy: -133.229 flat angles C4'-P-C4' energy: -117.264 flat angles P-C4'-P energy: -79.179 tors. eta vs tors. theta energy: -85.705 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: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1081.174630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.174630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.174630 (E_RNA) where: Base-Base interactions energy: -587.025 where: short stacking energy: -367.957 Base-Backbone interact. energy: -1.784 local terms energy: -492.366025 where: bonds (distance) C4'-P energy: -119.116 bonds (distance) P-C4' energy: -118.564 flat angles C4'-P-C4' energy: -122.019 flat angles P-C4'-P energy: -56.524 tors. eta vs tors. theta energy: -76.142 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: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -968.141156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.141156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.141156 (E_RNA) where: Base-Base interactions energy: -499.830 where: short stacking energy: -304.171 Base-Backbone interact. energy: -1.429 local terms energy: -466.882360 where: bonds (distance) C4'-P energy: -119.605 bonds (distance) P-C4' energy: -120.041 flat angles C4'-P-C4' energy: -119.803 flat angles P-C4'-P energy: -55.259 tors. eta vs tors. theta energy: -52.175 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: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -880.698852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.698852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.698852 (E_RNA) where: Base-Base interactions energy: -441.564 where: short stacking energy: -289.220 Base-Backbone interact. energy: -2.157 local terms energy: -436.977618 where: bonds (distance) C4'-P energy: -97.373 bonds (distance) P-C4' energy: -105.310 flat angles C4'-P-C4' energy: -110.234 flat angles P-C4'-P energy: -72.100 tors. eta vs tors. theta energy: -51.961 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: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -634.536708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.536708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.536708 (E_RNA) where: Base-Base interactions energy: -268.880 where: short stacking energy: -186.989 Base-Backbone interact. energy: -1.508 local terms energy: -364.148907 where: bonds (distance) C4'-P energy: -102.284 bonds (distance) P-C4' energy: -114.090 flat angles C4'-P-C4' energy: -103.550 flat angles P-C4'-P energy: -54.240 tors. eta vs tors. theta energy: 10.016 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: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -630.513834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.513834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.513834 (E_RNA) where: Base-Base interactions energy: -292.190 where: short stacking energy: -183.143 Base-Backbone interact. energy: 1.453 local terms energy: -339.776811 where: bonds (distance) C4'-P energy: -104.488 bonds (distance) P-C4' energy: -101.622 flat angles C4'-P-C4' energy: -94.360 flat angles P-C4'-P energy: -52.447 tors. eta vs tors. theta energy: 13.140 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: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -542.154391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.154391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.154391 (E_RNA) where: Base-Base interactions energy: -181.668 where: short stacking energy: -165.435 Base-Backbone interact. energy: 2.214 local terms energy: -362.700977 where: bonds (distance) C4'-P energy: -106.642 bonds (distance) P-C4' energy: -116.936 flat angles C4'-P-C4' energy: -82.708 flat angles P-C4'-P energy: -64.311 tors. eta vs tors. theta energy: 7.895 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: 10, replica: 6 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -467.738386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.738386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.738386 (E_RNA) where: Base-Base interactions energy: -179.305 where: short stacking energy: -122.052 Base-Backbone interact. energy: -4.013 local terms energy: -284.420071 where: bonds (distance) C4'-P energy: -89.009 bonds (distance) P-C4' energy: -87.834 flat angles C4'-P-C4' energy: -90.216 flat angles P-C4'-P energy: -46.936 tors. eta vs tors. theta energy: 29.575 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: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1296.232305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.232305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.232305 (E_RNA) where: Base-Base interactions energy: -671.718 where: short stacking energy: -508.356 Base-Backbone interact. energy: -0.914 local terms energy: -623.600426 where: bonds (distance) C4'-P energy: -126.427 bonds (distance) P-C4' energy: -136.305 flat angles C4'-P-C4' energy: -139.609 flat angles P-C4'-P energy: -82.835 tors. eta vs tors. theta energy: -138.424 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: 10 Temperature: 0.950000 Total energy: -1293.169905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.169905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.169905 (E_RNA) where: Base-Base interactions energy: -725.941 where: short stacking energy: -471.782 Base-Backbone interact. energy: -2.685 local terms energy: -564.543738 where: bonds (distance) C4'-P energy: -118.724 bonds (distance) P-C4' energy: -131.394 flat angles C4'-P-C4' energy: -127.023 flat angles P-C4'-P energy: -75.641 tors. eta vs tors. theta energy: -111.761 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: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1267.994660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.994660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.994660 (E_RNA) where: Base-Base interactions energy: -779.189 where: short stacking energy: -403.130 Base-Backbone interact. energy: -0.755 local terms energy: -488.050213 where: bonds (distance) C4'-P energy: -106.282 bonds (distance) P-C4' energy: -139.963 flat angles C4'-P-C4' energy: -124.506 flat angles P-C4'-P energy: -48.171 tors. eta vs tors. theta energy: -69.128 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: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -983.650173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.650173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.650173 (E_RNA) where: Base-Base interactions energy: -495.793 where: short stacking energy: -335.909 Base-Backbone interact. energy: -4.042 local terms energy: -483.815207 where: bonds (distance) C4'-P energy: -108.944 bonds (distance) P-C4' energy: -124.655 flat angles C4'-P-C4' energy: -120.033 flat angles P-C4'-P energy: -72.635 tors. eta vs tors. theta energy: -57.547 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: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1008.311642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.311642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.311642 (E_RNA) where: Base-Base interactions energy: -533.057 where: short stacking energy: -321.106 Base-Backbone interact. energy: -0.764 local terms energy: -474.490679 where: bonds (distance) C4'-P energy: -115.209 bonds (distance) P-C4' energy: -130.461 flat angles C4'-P-C4' energy: -99.901 flat angles P-C4'-P energy: -65.418 tors. eta vs tors. theta energy: -63.502 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: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -899.768369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.768369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.768369 (E_RNA) where: Base-Base interactions energy: -445.043 where: short stacking energy: -270.528 Base-Backbone interact. energy: 0.296 local terms energy: -455.021357 where: bonds (distance) C4'-P energy: -105.721 bonds (distance) P-C4' energy: -125.620 flat angles C4'-P-C4' energy: -113.895 flat angles P-C4'-P energy: -75.189 tors. eta vs tors. theta energy: -34.597 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: 7, replica: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -769.564883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.564883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.564883 (E_RNA) where: Base-Base interactions energy: -378.656 where: short stacking energy: -221.908 Base-Backbone interact. energy: -0.052 local terms energy: -390.857821 where: bonds (distance) C4'-P energy: -103.792 bonds (distance) P-C4' energy: -115.949 flat angles C4'-P-C4' energy: -93.735 flat angles P-C4'-P energy: -62.340 tors. eta vs tors. theta energy: -15.042 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: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -584.116490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.116490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.116490 (E_RNA) where: Base-Base interactions energy: -216.684 where: short stacking energy: -168.809 Base-Backbone interact. energy: -3.305 local terms energy: -364.127883 where: bonds (distance) C4'-P energy: -107.269 bonds (distance) P-C4' energy: -106.526 flat angles C4'-P-C4' energy: -87.264 flat angles P-C4'-P energy: -64.816 tors. eta vs tors. theta energy: 1.746 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: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -524.813799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.813799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.813799 (E_RNA) where: Base-Base interactions energy: -216.401 where: short stacking energy: -147.171 Base-Backbone interact. energy: -0.824 local terms energy: -307.588458 where: bonds (distance) C4'-P energy: -92.132 bonds (distance) P-C4' energy: -115.333 flat angles C4'-P-C4' energy: -76.274 flat angles P-C4'-P energy: -50.630 tors. eta vs tors. theta energy: 26.780 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: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -485.173868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.173868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.173868 (E_RNA) where: Base-Base interactions energy: -190.637 where: short stacking energy: -149.126 Base-Backbone interact. energy: -0.733 local terms energy: -293.803968 where: bonds (distance) C4'-P energy: -99.525 bonds (distance) P-C4' energy: -98.413 flat angles C4'-P-C4' energy: -72.527 flat angles P-C4'-P energy: -49.253 tors. eta vs tors. theta energy: 25.914 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: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1280.713608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.713608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.713608 (E_RNA) where: Base-Base interactions energy: -683.111 where: short stacking energy: -499.278 Base-Backbone interact. energy: -0.849 local terms energy: -596.753321 where: bonds (distance) C4'-P energy: -121.269 bonds (distance) P-C4' energy: -114.880 flat angles C4'-P-C4' energy: -133.922 flat angles P-C4'-P energy: -97.227 tors. eta vs tors. theta energy: -129.455 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: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1428.003099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.003099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.003099 (E_RNA) where: Base-Base interactions energy: -885.365 where: short stacking energy: -421.174 Base-Backbone interact. energy: -0.053 local terms energy: -542.585525 where: bonds (distance) C4'-P energy: -108.433 bonds (distance) P-C4' energy: -133.202 flat angles C4'-P-C4' energy: -120.499 flat angles P-C4'-P energy: -78.488 tors. eta vs tors. theta energy: -101.963 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: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1181.369912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.369912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.369912 (E_RNA) where: Base-Base interactions energy: -640.601 where: short stacking energy: -385.527 Base-Backbone interact. energy: -0.850 local terms energy: -539.918942 where: bonds (distance) C4'-P energy: -126.371 bonds (distance) P-C4' energy: -129.743 flat angles C4'-P-C4' energy: -118.240 flat angles P-C4'-P energy: -75.800 tors. eta vs tors. theta energy: -89.765 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: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1032.147512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.147512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.147512 (E_RNA) where: Base-Base interactions energy: -553.704 where: short stacking energy: -339.820 Base-Backbone interact. energy: -7.922 local terms energy: -470.521439 where: bonds (distance) C4'-P energy: -118.016 bonds (distance) P-C4' energy: -111.573 flat angles C4'-P-C4' energy: -98.326 flat angles P-C4'-P energy: -87.924 tors. eta vs tors. theta energy: -54.682 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: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -920.961220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.961220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.961220 (E_RNA) where: Base-Base interactions energy: -494.078 where: short stacking energy: -314.691 Base-Backbone interact. energy: -3.616 local terms energy: -423.267520 where: bonds (distance) C4'-P energy: -122.892 bonds (distance) P-C4' energy: -119.596 flat angles C4'-P-C4' energy: -86.352 flat angles P-C4'-P energy: -52.180 tors. eta vs tors. theta energy: -42.248 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: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -906.231967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.231967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.231967 (E_RNA) where: Base-Base interactions energy: -480.443 where: short stacking energy: -267.741 Base-Backbone interact. energy: -1.666 local terms energy: -424.123071 where: bonds (distance) C4'-P energy: -110.213 bonds (distance) P-C4' energy: -114.246 flat angles C4'-P-C4' energy: -111.143 flat angles P-C4'-P energy: -68.052 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: 7, replica: 10 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -830.936060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.936060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.936060 (E_RNA) where: Base-Base interactions energy: -433.204 where: short stacking energy: -250.439 Base-Backbone interact. energy: -4.926 local terms energy: -392.805682 where: bonds (distance) C4'-P energy: -91.175 bonds (distance) P-C4' energy: -107.191 flat angles C4'-P-C4' energy: -100.635 flat angles P-C4'-P energy: -66.223 tors. eta vs tors. theta energy: -27.582 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: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -589.855840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.855840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.855840 (E_RNA) where: Base-Base interactions energy: -227.329 where: short stacking energy: -194.408 Base-Backbone interact. energy: 4.258 local terms energy: -366.784669 where: bonds (distance) C4'-P energy: -90.231 bonds (distance) P-C4' energy: -123.220 flat angles C4'-P-C4' energy: -98.447 flat angles P-C4'-P energy: -63.593 tors. eta vs tors. theta energy: 8.707 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: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -510.299295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.299295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.299295 (E_RNA) where: Base-Base interactions energy: -165.528 where: short stacking energy: -129.744 Base-Backbone interact. energy: 1.396 local terms energy: -346.167413 where: bonds (distance) C4'-P energy: -97.584 bonds (distance) P-C4' energy: -112.019 flat angles C4'-P-C4' energy: -89.203 flat angles P-C4'-P energy: -54.039 tors. eta vs tors. theta energy: 6.678 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: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -497.020066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.020066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.020066 (E_RNA) where: Base-Base interactions energy: -184.249 where: short stacking energy: -130.117 Base-Backbone interact. energy: 1.929 local terms energy: -314.700892 where: bonds (distance) C4'-P energy: -99.468 bonds (distance) P-C4' energy: -108.860 flat angles C4'-P-C4' energy: -78.418 flat angles P-C4'-P energy: -47.544 tors. eta vs tors. theta energy: 19.589 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: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1592.788920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.788920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.788920 (E_RNA) where: Base-Base interactions energy: -997.075 where: short stacking energy: -497.062 Base-Backbone interact. energy: -3.346 local terms energy: -592.367720 where: bonds (distance) C4'-P energy: -130.302 bonds (distance) P-C4' energy: -110.618 flat angles C4'-P-C4' energy: -133.882 flat angles P-C4'-P energy: -79.378 tors. eta vs tors. theta energy: -138.188 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: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1189.747709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.747709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.747709 (E_RNA) where: Base-Base interactions energy: -624.444 where: short stacking energy: -416.835 Base-Backbone interact. energy: 1.629 local terms energy: -566.933023 where: bonds (distance) C4'-P energy: -115.625 bonds (distance) P-C4' energy: -122.452 flat angles C4'-P-C4' energy: -139.717 flat angles P-C4'-P energy: -85.683 tors. eta vs tors. theta energy: -103.456 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: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1083.045850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.045850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.045850 (E_RNA) where: Base-Base interactions energy: -584.494 where: short stacking energy: -390.684 Base-Backbone interact. energy: 4.317 local terms energy: -502.868661 where: bonds (distance) C4'-P energy: -103.389 bonds (distance) P-C4' energy: -110.165 flat angles C4'-P-C4' energy: -123.610 flat angles P-C4'-P energy: -79.887 tors. eta vs tors. theta energy: -85.818 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: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1142.017517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.017517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.017517 (E_RNA) where: Base-Base interactions energy: -645.297 where: short stacking energy: -376.586 Base-Backbone interact. energy: 1.812 local terms energy: -498.532423 where: bonds (distance) C4'-P energy: -115.177 bonds (distance) P-C4' energy: -112.721 flat angles C4'-P-C4' energy: -126.457 flat angles P-C4'-P energy: -70.170 tors. eta vs tors. theta energy: -74.007 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: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1074.929880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.929880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.929880 (E_RNA) where: Base-Base interactions energy: -626.536 where: short stacking energy: -342.224 Base-Backbone interact. energy: -2.046 local terms energy: -446.348729 where: bonds (distance) C4'-P energy: -116.230 bonds (distance) P-C4' energy: -99.299 flat angles C4'-P-C4' energy: -103.860 flat angles P-C4'-P energy: -72.417 tors. eta vs tors. theta energy: -54.542 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: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -858.287348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.287348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.287348 (E_RNA) where: Base-Base interactions energy: -436.954 where: short stacking energy: -283.199 Base-Backbone interact. energy: -1.160 local terms energy: -420.173493 where: bonds (distance) C4'-P energy: -108.484 bonds (distance) P-C4' energy: -120.377 flat angles C4'-P-C4' energy: -108.238 flat angles P-C4'-P energy: -45.859 tors. eta vs tors. theta energy: -37.216 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: 7, replica: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -777.819077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.819077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.819077 (E_RNA) where: Base-Base interactions energy: -384.784 where: short stacking energy: -198.932 Base-Backbone interact. energy: -2.056 local terms energy: -390.978783 where: bonds (distance) C4'-P energy: -97.642 bonds (distance) P-C4' energy: -111.164 flat angles C4'-P-C4' energy: -104.059 flat angles P-C4'-P energy: -68.321 tors. eta vs tors. theta energy: -9.794 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: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -619.702772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.702772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.702772 (E_RNA) where: Base-Base interactions energy: -250.108 where: short stacking energy: -191.195 Base-Backbone interact. energy: -1.910 local terms energy: -367.685365 where: bonds (distance) C4'-P energy: -91.389 bonds (distance) P-C4' energy: -117.387 flat angles C4'-P-C4' energy: -93.518 flat angles P-C4'-P energy: -66.201 tors. eta vs tors. theta energy: 0.809 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: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -540.184470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.184470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.184470 (E_RNA) where: Base-Base interactions energy: -172.612 where: short stacking energy: -153.662 Base-Backbone interact. energy: -1.787 local terms energy: -365.784727 where: bonds (distance) C4'-P energy: -92.644 bonds (distance) P-C4' energy: -115.034 flat angles C4'-P-C4' energy: -102.684 flat angles P-C4'-P energy: -52.435 tors. eta vs tors. theta energy: -2.987 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: 10, replica: 6 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -525.322765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.322765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.322765 (E_RNA) where: Base-Base interactions energy: -234.198 where: short stacking energy: -154.265 Base-Backbone interact. energy: 1.107 local terms energy: -292.231764 where: bonds (distance) C4'-P energy: -96.791 bonds (distance) P-C4' energy: -98.001 flat angles C4'-P-C4' energy: -67.568 flat angles P-C4'-P energy: -49.144 tors. eta vs tors. theta energy: 19.272 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: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1578.238490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.238490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.238490 (E_RNA) where: Base-Base interactions energy: -976.747 where: short stacking energy: -475.581 Base-Backbone interact. energy: -2.596 local terms energy: -598.895033 where: bonds (distance) C4'-P energy: -120.120 bonds (distance) P-C4' energy: -119.196 flat angles C4'-P-C4' energy: -146.237 flat angles P-C4'-P energy: -89.496 tors. eta vs tors. theta energy: -123.846 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: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1222.472365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.472365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.472365 (E_RNA) where: Base-Base interactions energy: -662.288 where: short stacking energy: -421.424 Base-Backbone interact. energy: -1.367 local terms energy: -558.817018 where: bonds (distance) C4'-P energy: -113.220 bonds (distance) P-C4' energy: -132.784 flat angles C4'-P-C4' energy: -130.774 flat angles P-C4'-P energy: -90.753 tors. eta vs tors. theta energy: -91.287 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: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1163.341563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.341563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.341563 (E_RNA) where: Base-Base interactions energy: -635.447 where: short stacking energy: -397.839 Base-Backbone interact. energy: 1.058 local terms energy: -528.953225 where: bonds (distance) C4'-P energy: -114.612 bonds (distance) P-C4' energy: -139.467 flat angles C4'-P-C4' energy: -118.201 flat angles P-C4'-P energy: -70.476 tors. eta vs tors. theta energy: -86.197 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: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1154.607771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.607771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.607771 (E_RNA) where: Base-Base interactions energy: -641.551 where: short stacking energy: -355.412 Base-Backbone interact. energy: -2.835 local terms energy: -510.222206 where: bonds (distance) C4'-P energy: -107.661 bonds (distance) P-C4' energy: -119.248 flat angles C4'-P-C4' energy: -122.901 flat angles P-C4'-P energy: -76.905 tors. eta vs tors. theta energy: -83.507 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: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1113.532155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.532155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.532155 (E_RNA) where: Base-Base interactions energy: -609.641 where: short stacking energy: -317.758 Base-Backbone interact. energy: -1.154 local terms energy: -502.736613 where: bonds (distance) C4'-P energy: -114.296 bonds (distance) P-C4' energy: -114.291 flat angles C4'-P-C4' energy: -118.583 flat angles P-C4'-P energy: -87.603 tors. eta vs tors. theta energy: -67.965 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: 10 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -958.976211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.976211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.976211 (E_RNA) where: Base-Base interactions energy: -565.019 where: short stacking energy: -264.204 Base-Backbone interact. energy: -4.312 local terms energy: -389.645315 where: bonds (distance) C4'-P energy: -88.668 bonds (distance) P-C4' energy: -102.262 flat angles C4'-P-C4' energy: -106.573 flat angles P-C4'-P energy: -69.075 tors. eta vs tors. theta energy: -23.067 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: 7, replica: 2 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -734.925190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.925190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.925190 (E_RNA) where: Base-Base interactions energy: -351.646 where: short stacking energy: -189.149 Base-Backbone interact. energy: 0.890 local terms energy: -384.169328 where: bonds (distance) C4'-P energy: -93.790 bonds (distance) P-C4' energy: -109.143 flat angles C4'-P-C4' energy: -109.984 flat angles P-C4'-P energy: -63.705 tors. eta vs tors. theta energy: -7.547 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: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -636.822438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.822438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.822438 (E_RNA) where: Base-Base interactions energy: -267.063 where: short stacking energy: -199.776 Base-Backbone interact. energy: -3.057 local terms energy: -366.702692 where: bonds (distance) C4'-P energy: -95.215 bonds (distance) P-C4' energy: -109.544 flat angles C4'-P-C4' energy: -103.473 flat angles P-C4'-P energy: -59.260 tors. eta vs tors. theta energy: 0.789 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: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -535.931300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.931300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.931300 (E_RNA) where: Base-Base interactions energy: -207.625 where: short stacking energy: -163.467 Base-Backbone interact. energy: 2.124 local terms energy: -330.431014 where: bonds (distance) C4'-P energy: -105.709 bonds (distance) P-C4' energy: -106.045 flat angles C4'-P-C4' energy: -84.327 flat angles P-C4'-P energy: -57.151 tors. eta vs tors. theta energy: 22.802 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: 6 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -577.353660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.353660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.353660 (E_RNA) where: Base-Base interactions energy: -239.435 where: short stacking energy: -165.503 Base-Backbone interact. energy: -1.780 local terms energy: -336.138742 where: bonds (distance) C4'-P energy: -92.010 bonds (distance) P-C4' energy: -106.184 flat angles C4'-P-C4' energy: -105.606 flat angles P-C4'-P energy: -48.834 tors. eta vs tors. theta energy: 16.496 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: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1617.437767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.437767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.437767 (E_RNA) where: Base-Base interactions energy: -1001.963 where: short stacking energy: -486.182 Base-Backbone interact. energy: -3.589 local terms energy: -611.885578 where: bonds (distance) C4'-P energy: -125.628 bonds (distance) P-C4' energy: -133.954 flat angles C4'-P-C4' energy: -124.316 flat angles P-C4'-P energy: -88.291 tors. eta vs tors. theta energy: -139.697 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: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1232.979981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.979981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.979981 (E_RNA) where: Base-Base interactions energy: -690.345 where: short stacking energy: -437.829 Base-Backbone interact. energy: -6.362 local terms energy: -536.272288 where: bonds (distance) C4'-P energy: -92.936 bonds (distance) P-C4' energy: -132.776 flat angles C4'-P-C4' energy: -134.147 flat angles P-C4'-P energy: -82.499 tors. eta vs tors. theta energy: -93.913 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: 3, replica: 4 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1234.725616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.725616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.725616 (E_RNA) where: Base-Base interactions energy: -699.929 where: short stacking energy: -363.350 Base-Backbone interact. energy: -1.956 local terms energy: -532.839952 where: bonds (distance) C4'-P energy: -131.189 bonds (distance) P-C4' energy: -122.973 flat angles C4'-P-C4' energy: -119.124 flat angles P-C4'-P energy: -82.132 tors. eta vs tors. theta energy: -77.421 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: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1209.009287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.009287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.009287 (E_RNA) where: Base-Base interactions energy: -713.957 where: short stacking energy: -404.064 Base-Backbone interact. energy: -1.890 local terms energy: -493.162656 where: bonds (distance) C4'-P energy: -110.981 bonds (distance) P-C4' energy: -129.935 flat angles C4'-P-C4' energy: -101.851 flat angles P-C4'-P energy: -62.778 tors. eta vs tors. theta energy: -87.617 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: 10 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1007.863407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.863407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.863407 (E_RNA) where: Base-Base interactions energy: -554.138 where: short stacking energy: -293.905 Base-Backbone interact. energy: -0.214 local terms energy: -453.511491 where: bonds (distance) C4'-P energy: -93.386 bonds (distance) P-C4' energy: -105.867 flat angles C4'-P-C4' energy: -117.084 flat angles P-C4'-P energy: -86.441 tors. eta vs tors. theta energy: -50.734 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: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1004.157574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.157574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.157574 (E_RNA) where: Base-Base interactions energy: -556.543 where: short stacking energy: -302.686 Base-Backbone interact. energy: -2.782 local terms energy: -444.832325 where: bonds (distance) C4'-P energy: -120.048 bonds (distance) P-C4' energy: -111.824 flat angles C4'-P-C4' energy: -80.015 flat angles P-C4'-P energy: -79.312 tors. eta vs tors. theta energy: -53.634 Dist. restrs. and SS energy: 0.000 (S_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: 14 Temperature: 1.200000 Total energy: -777.758055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.758055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.758055 (E_RNA) where: Base-Base interactions energy: -392.663 where: short stacking energy: -233.622 Base-Backbone interact. energy: 1.624 local terms energy: -386.719237 where: bonds (distance) C4'-P energy: -119.862 bonds (distance) P-C4' energy: -110.357 flat angles C4'-P-C4' energy: -89.943 flat angles P-C4'-P energy: -45.753 tors. eta vs tors. theta energy: -20.804 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: 2 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -582.158612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.158612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.158612 (E_RNA) where: Base-Base interactions energy: -229.231 where: short stacking energy: -171.581 Base-Backbone interact. energy: 1.367 local terms energy: -354.294342 where: bonds (distance) C4'-P energy: -96.949 bonds (distance) P-C4' energy: -107.896 flat angles C4'-P-C4' energy: -95.858 flat angles P-C4'-P energy: -63.060 tors. eta vs tors. theta energy: 9.468 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: 9, replica: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -534.625072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.625072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.625072 (E_RNA) where: Base-Base interactions energy: -192.634 where: short stacking energy: -148.122 Base-Backbone interact. energy: -1.589 local terms energy: -340.402093 where: bonds (distance) C4'-P energy: -88.188 bonds (distance) P-C4' energy: -126.191 flat angles C4'-P-C4' energy: -88.276 flat angles P-C4'-P energy: -55.235 tors. eta vs tors. theta energy: 17.488 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: 10, replica: 6 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -584.995236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.995236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.995236 (E_RNA) where: Base-Base interactions energy: -272.535 where: short stacking energy: -154.589 Base-Backbone interact. energy: 0.830 local terms energy: -313.290032 where: bonds (distance) C4'-P energy: -81.958 bonds (distance) P-C4' energy: -109.686 flat angles C4'-P-C4' energy: -104.417 flat angles P-C4'-P energy: -37.915 tors. eta vs tors. theta energy: 20.686 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: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1651.925931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.925931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.925931 (E_RNA) where: Base-Base interactions energy: -1084.742 where: short stacking energy: -506.081 Base-Backbone interact. energy: -3.104 local terms energy: -564.080539 where: bonds (distance) C4'-P energy: -91.371 bonds (distance) P-C4' energy: -126.543 flat angles C4'-P-C4' energy: -122.238 flat angles P-C4'-P energy: -96.173 tors. eta vs tors. theta energy: -127.755 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: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1315.140947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.140947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.140947 (E_RNA) where: Base-Base interactions energy: -779.035 where: short stacking energy: -421.806 Base-Backbone interact. energy: -2.065 local terms energy: -534.041605 where: bonds (distance) C4'-P energy: -110.135 bonds (distance) P-C4' energy: -120.538 flat angles C4'-P-C4' energy: -126.767 flat angles P-C4'-P energy: -69.309 tors. eta vs tors. theta energy: -107.293 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: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1168.680573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.680573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.680573 (E_RNA) where: Base-Base interactions energy: -628.660 where: short stacking energy: -381.580 Base-Backbone interact. energy: 0.164 local terms energy: -540.184822 where: bonds (distance) C4'-P energy: -116.528 bonds (distance) P-C4' energy: -121.489 flat angles C4'-P-C4' energy: -125.831 flat angles P-C4'-P energy: -86.752 tors. eta vs tors. theta energy: -89.586 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: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1211.124796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.124796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.124796 (E_RNA) where: Base-Base interactions energy: -713.796 where: short stacking energy: -366.167 Base-Backbone interact. energy: -0.478 local terms energy: -496.850765 where: bonds (distance) C4'-P energy: -89.985 bonds (distance) P-C4' energy: -120.403 flat angles C4'-P-C4' energy: -121.438 flat angles P-C4'-P energy: -72.316 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: 5, replica: 10 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1127.618262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.618262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.618262 (E_RNA) where: Base-Base interactions energy: -668.966 where: short stacking energy: -341.333 Base-Backbone interact. energy: -1.599 local terms energy: -457.053808 where: bonds (distance) C4'-P energy: -99.150 bonds (distance) P-C4' energy: -108.509 flat angles C4'-P-C4' energy: -112.958 flat angles P-C4'-P energy: -72.151 tors. eta vs tors. theta energy: -64.286 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: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1041.928536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.928536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.928536 (E_RNA) where: Base-Base interactions energy: -567.905 where: short stacking energy: -298.624 Base-Backbone interact. energy: -1.999 local terms energy: -472.024712 where: bonds (distance) C4'-P energy: -98.526 bonds (distance) P-C4' energy: -136.456 flat angles C4'-P-C4' energy: -109.829 flat angles P-C4'-P energy: -69.577 tors. eta vs tors. theta energy: -57.637 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: 7, replica: 9 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -847.069906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.069906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.069906 (E_RNA) where: Base-Base interactions energy: -434.520 where: short stacking energy: -250.031 Base-Backbone interact. energy: 9.391 local terms energy: -421.940853 where: bonds (distance) C4'-P energy: -100.211 bonds (distance) P-C4' energy: -118.450 flat angles C4'-P-C4' energy: -111.906 flat angles P-C4'-P energy: -59.808 tors. eta vs tors. theta energy: -31.566 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: 15 Temperature: 1.250000 Total energy: -586.340844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.340844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.340844 (E_RNA) where: Base-Base interactions energy: -239.053 where: short stacking energy: -172.388 Base-Backbone interact. energy: -2.168 local terms energy: -345.120191 where: bonds (distance) C4'-P energy: -104.726 bonds (distance) P-C4' energy: -102.931 flat angles C4'-P-C4' energy: -86.680 flat angles P-C4'-P energy: -60.817 tors. eta vs tors. theta energy: 10.033 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: 9, replica: 2 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -600.523113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.523113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.523113 (E_RNA) where: Base-Base interactions energy: -252.444 where: short stacking energy: -165.219 Base-Backbone interact. energy: 1.251 local terms energy: -349.330150 where: bonds (distance) C4'-P energy: -118.337 bonds (distance) P-C4' energy: -101.317 flat angles C4'-P-C4' energy: -98.221 flat angles P-C4'-P energy: -47.072 tors. eta vs tors. theta energy: 15.616 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: 15 Temperature: 1.350000 Total energy: -614.157062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.157062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.157062 (E_RNA) where: Base-Base interactions energy: -258.546 where: short stacking energy: -152.077 Base-Backbone interact. energy: 1.913 local terms energy: -357.523710 where: bonds (distance) C4'-P energy: -110.917 bonds (distance) P-C4' energy: -108.420 flat angles C4'-P-C4' energy: -74.059 flat angles P-C4'-P energy: -55.336 tors. eta vs tors. theta energy: -8.791 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: 1, replica: 7 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1686.200946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.200946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.200946 (E_RNA) where: Base-Base interactions energy: -1087.555 where: short stacking energy: -530.304 Base-Backbone interact. energy: -0.565 local terms energy: -598.081479 where: bonds (distance) C4'-P energy: -109.962 bonds (distance) P-C4' energy: -129.490 flat angles C4'-P-C4' energy: -140.603 flat angles P-C4'-P energy: -85.219 tors. eta vs tors. theta energy: -132.807 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: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1399.605864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.605864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.605864 (E_RNA) where: Base-Base interactions energy: -829.930 where: short stacking energy: -488.557 Base-Backbone interact. energy: -2.962 local terms energy: -566.713481 where: bonds (distance) C4'-P energy: -111.676 bonds (distance) P-C4' energy: -124.270 flat angles C4'-P-C4' energy: -125.266 flat angles P-C4'-P energy: -79.467 tors. eta vs tors. theta energy: -126.035 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: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1286.057517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.057517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.057517 (E_RNA) where: Base-Base interactions energy: -747.323 where: short stacking energy: -397.925 Base-Backbone interact. energy: -3.597 local terms energy: -535.137710 where: bonds (distance) C4'-P energy: -119.719 bonds (distance) P-C4' energy: -120.969 flat angles C4'-P-C4' energy: -121.764 flat angles P-C4'-P energy: -82.194 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: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1198.532780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.532780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.532780 (E_RNA) where: Base-Base interactions energy: -694.271 where: short stacking energy: -412.210 Base-Backbone interact. energy: 0.695 local terms energy: -504.956497 where: bonds (distance) C4'-P energy: -110.974 bonds (distance) P-C4' energy: -128.600 flat angles C4'-P-C4' energy: -112.883 flat angles P-C4'-P energy: -60.379 tors. eta vs tors. theta energy: -92.121 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: 5, replica: 10 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1152.006987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.006987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.006987 (E_RNA) where: Base-Base interactions energy: -697.109 where: short stacking energy: -348.046 Base-Backbone interact. energy: -2.762 local terms energy: -452.136148 where: bonds (distance) C4'-P energy: -97.583 bonds (distance) P-C4' energy: -125.985 flat angles C4'-P-C4' energy: -108.351 flat angles P-C4'-P energy: -73.460 tors. eta vs tors. theta energy: -46.758 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: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1005.650239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.650239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.650239 (E_RNA) where: Base-Base interactions energy: -569.352 where: short stacking energy: -324.062 Base-Backbone interact. energy: -1.643 local terms energy: -434.654453 where: bonds (distance) C4'-P energy: -82.802 bonds (distance) P-C4' energy: -107.528 flat angles C4'-P-C4' energy: -118.335 flat angles P-C4'-P energy: -62.877 tors. eta vs tors. theta energy: -63.113 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: 7, replica: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -850.917748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.917748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.917748 (E_RNA) where: Base-Base interactions energy: -441.124 where: short stacking energy: -268.185 Base-Backbone interact. energy: 5.776 local terms energy: -415.569970 where: bonds (distance) C4'-P energy: -103.324 bonds (distance) P-C4' energy: -112.061 flat angles C4'-P-C4' energy: -107.692 flat angles P-C4'-P energy: -49.095 tors. eta vs tors. theta energy: -43.398 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: 8, replica: 8 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -640.439448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.439448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.439448 (E_RNA) where: Base-Base interactions energy: -258.223 where: short stacking energy: -211.646 Base-Backbone interact. energy: -1.598 local terms energy: -380.618577 where: bonds (distance) C4'-P energy: -109.182 bonds (distance) P-C4' energy: -102.712 flat angles C4'-P-C4' energy: -99.850 flat angles P-C4'-P energy: -43.322 tors. eta vs tors. theta energy: -25.553 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: 9, replica: 6 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -631.429491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.429491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.429491 (E_RNA) where: Base-Base interactions energy: -249.973 where: short stacking energy: -137.514 Base-Backbone interact. energy: -2.396 local terms energy: -379.060388 where: bonds (distance) C4'-P energy: -103.805 bonds (distance) P-C4' energy: -115.415 flat angles C4'-P-C4' energy: -95.428 flat angles P-C4'-P energy: -61.621 tors. eta vs tors. theta energy: -2.791 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: 2 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -529.624482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.624482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.624482 (E_RNA) where: Base-Base interactions energy: -183.592 where: short stacking energy: -141.740 Base-Backbone interact. energy: -1.177 local terms energy: -344.855505 where: bonds (distance) C4'-P energy: -105.171 bonds (distance) P-C4' energy: -105.607 flat angles C4'-P-C4' energy: -98.136 flat angles P-C4'-P energy: -49.631 tors. eta vs tors. theta energy: 13.690 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: 1, replica: 7 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1723.380685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.380685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.380685 (E_RNA) where: Base-Base interactions energy: -1116.265 where: short stacking energy: -525.597 Base-Backbone interact. energy: -0.970 local terms energy: -606.146164 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -128.440 flat angles C4'-P-C4' energy: -129.199 flat angles P-C4'-P energy: -90.916 tors. eta vs tors. theta energy: -133.106 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: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1354.700135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.700135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.700135 (E_RNA) where: Base-Base interactions energy: -791.986 where: short stacking energy: -428.179 Base-Backbone interact. energy: 0.195 local terms energy: -562.908893 where: bonds (distance) C4'-P energy: -118.016 bonds (distance) P-C4' energy: -123.632 flat angles C4'-P-C4' energy: -129.856 flat angles P-C4'-P energy: -78.667 tors. eta vs tors. theta energy: -112.737 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: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1310.819129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.819129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.819129 (E_RNA) where: Base-Base interactions energy: -778.110 where: short stacking energy: -415.537 Base-Backbone interact. energy: 0.575 local terms energy: -533.283680 where: bonds (distance) C4'-P energy: -124.355 bonds (distance) P-C4' energy: -117.561 flat angles C4'-P-C4' energy: -120.200 flat angles P-C4'-P energy: -70.477 tors. eta vs tors. theta energy: -100.691 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: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1178.611523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.611523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.611523 (E_RNA) where: Base-Base interactions energy: -653.359 where: short stacking energy: -377.414 Base-Backbone interact. energy: -1.320 local terms energy: -523.932391 where: bonds (distance) C4'-P energy: -104.767 bonds (distance) P-C4' energy: -128.793 flat angles C4'-P-C4' energy: -129.334 flat angles P-C4'-P energy: -89.803 tors. eta vs tors. theta energy: -71.235 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: 10 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1182.791786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.791786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.791786 (E_RNA) where: Base-Base interactions energy: -715.706 where: short stacking energy: -373.474 Base-Backbone interact. energy: -3.652 local terms energy: -463.434045 where: bonds (distance) C4'-P energy: -112.544 bonds (distance) P-C4' energy: -126.721 flat angles C4'-P-C4' energy: -115.937 flat angles P-C4'-P energy: -54.461 tors. eta vs tors. theta energy: -53.772 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: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1068.813217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.813217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.813217 (E_RNA) where: Base-Base interactions energy: -623.508 where: short stacking energy: -327.833 Base-Backbone interact. energy: -0.528 local terms energy: -444.777359 where: bonds (distance) C4'-P energy: -106.882 bonds (distance) P-C4' energy: -111.024 flat angles C4'-P-C4' energy: -103.880 flat angles P-C4'-P energy: -53.031 tors. eta vs tors. theta energy: -69.960 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: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -851.744726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.744726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.744726 (E_RNA) where: Base-Base interactions energy: -421.418 where: short stacking energy: -276.937 Base-Backbone interact. energy: 1.304 local terms energy: -431.630083 where: bonds (distance) C4'-P energy: -101.053 bonds (distance) P-C4' energy: -107.372 flat angles C4'-P-C4' energy: -95.599 flat angles P-C4'-P energy: -72.540 tors. eta vs tors. theta energy: -55.066 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: 8, replica: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -611.155415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.155415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.155415 (E_RNA) where: Base-Base interactions energy: -254.655 where: short stacking energy: -170.983 Base-Backbone interact. energy: -0.644 local terms energy: -355.856259 where: bonds (distance) C4'-P energy: -80.556 bonds (distance) P-C4' energy: -103.761 flat angles C4'-P-C4' energy: -102.459 flat angles P-C4'-P energy: -68.361 tors. eta vs tors. theta energy: -0.719 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: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -514.856582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.856582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.856582 (E_RNA) where: Base-Base interactions energy: -192.659 where: short stacking energy: -150.989 Base-Backbone interact. energy: 5.525 local terms energy: -327.722046 where: bonds (distance) C4'-P energy: -91.845 bonds (distance) P-C4' energy: -113.290 flat angles C4'-P-C4' energy: -80.849 flat angles P-C4'-P energy: -56.097 tors. eta vs tors. theta energy: 14.359 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: 10, replica: 2 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -501.464926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.464926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.464926 (E_RNA) where: Base-Base interactions energy: -163.244 where: short stacking energy: -116.046 Base-Backbone interact. energy: 3.129 local terms energy: -341.349743 where: bonds (distance) C4'-P energy: -110.033 bonds (distance) P-C4' energy: -107.905 flat angles C4'-P-C4' energy: -92.027 flat angles P-C4'-P energy: -45.747 tors. eta vs tors. theta energy: 14.362 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: 1, replica: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1735.518968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.518968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.518968 (E_RNA) where: Base-Base interactions energy: -1130.077 where: short stacking energy: -521.787 Base-Backbone interact. energy: -3.897 local terms energy: -601.544986 where: bonds (distance) C4'-P energy: -118.640 bonds (distance) P-C4' energy: -132.854 flat angles C4'-P-C4' energy: -135.093 flat angles P-C4'-P energy: -85.626 tors. eta vs tors. theta energy: -129.332 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: 2, replica: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1367.005851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.005851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.005851 (E_RNA) where: Base-Base interactions energy: -824.544 where: short stacking energy: -440.994 Base-Backbone interact. energy: -2.453 local terms energy: -540.008482 where: bonds (distance) C4'-P energy: -112.182 bonds (distance) P-C4' energy: -126.721 flat angles C4'-P-C4' energy: -135.438 flat angles P-C4'-P energy: -64.549 tors. eta vs tors. theta energy: -101.117 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: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1326.354439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.354439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.354439 (E_RNA) where: Base-Base interactions energy: -780.610 where: short stacking energy: -398.557 Base-Backbone interact. energy: -0.757 local terms energy: -544.987419 where: bonds (distance) C4'-P energy: -119.599 bonds (distance) P-C4' energy: -122.407 flat angles C4'-P-C4' energy: -126.573 flat angles P-C4'-P energy: -75.112 tors. eta vs tors. theta energy: -101.296 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: 4, replica: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1144.875095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.875095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.875095 (E_RNA) where: Base-Base interactions energy: -631.600 where: short stacking energy: -350.282 Base-Backbone interact. energy: -1.836 local terms energy: -511.439215 where: bonds (distance) C4'-P energy: -109.004 bonds (distance) P-C4' energy: -120.706 flat angles C4'-P-C4' energy: -134.629 flat angles P-C4'-P energy: -69.662 tors. eta vs tors. theta energy: -77.438 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: 5, replica: 10 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1153.932457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.932457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.932457 (E_RNA) where: Base-Base interactions energy: -677.799 where: short stacking energy: -347.912 Base-Backbone interact. energy: -3.303 local terms energy: -472.830726 where: bonds (distance) C4'-P energy: -106.907 bonds (distance) P-C4' energy: -120.623 flat angles C4'-P-C4' energy: -122.658 flat angles P-C4'-P energy: -63.204 tors. eta vs tors. theta energy: -59.439 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: 6, replica: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1190.312984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.312984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.312984 (E_RNA) where: Base-Base interactions energy: -709.910 where: short stacking energy: -371.324 Base-Backbone interact. energy: -0.188 local terms energy: -480.215699 where: bonds (distance) C4'-P energy: -102.218 bonds (distance) P-C4' energy: -108.553 flat angles C4'-P-C4' energy: -98.011 flat angles P-C4'-P energy: -83.038 tors. eta vs tors. theta energy: -88.396 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: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -812.156227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.156227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.156227 (E_RNA) where: Base-Base interactions energy: -415.581 where: short stacking energy: -273.015 Base-Backbone interact. energy: 0.021 local terms energy: -396.596441 where: bonds (distance) C4'-P energy: -103.609 bonds (distance) P-C4' energy: -104.162 flat angles C4'-P-C4' energy: -102.475 flat angles P-C4'-P energy: -58.377 tors. eta vs tors. theta energy: -27.973 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: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -676.116123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.116123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.116123 (E_RNA) where: Base-Base interactions energy: -304.951 where: short stacking energy: -193.396 Base-Backbone interact. energy: 2.470 local terms energy: -373.635092 where: bonds (distance) C4'-P energy: -106.204 bonds (distance) P-C4' energy: -109.724 flat angles C4'-P-C4' energy: -100.134 flat angles P-C4'-P energy: -52.523 tors. eta vs tors. theta energy: -5.051 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: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -543.568332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.568332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.568332 (E_RNA) where: Base-Base interactions energy: -205.965 where: short stacking energy: -159.817 Base-Backbone interact. energy: -2.618 local terms energy: -334.985414 where: bonds (distance) C4'-P energy: -99.424 bonds (distance) P-C4' energy: -81.216 flat angles C4'-P-C4' energy: -104.467 flat angles P-C4'-P energy: -47.776 tors. eta vs tors. theta energy: -2.102 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: 10, replica: 2 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -453.250828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.250828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.250828 (E_RNA) where: Base-Base interactions energy: -149.896 where: short stacking energy: -132.753 Base-Backbone interact. energy: 2.572 local terms energy: -305.926747 where: bonds (distance) C4'-P energy: -102.564 bonds (distance) P-C4' energy: -96.896 flat angles C4'-P-C4' energy: -71.350 flat angles P-C4'-P energy: -58.342 tors. eta vs tors. theta energy: 23.224 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: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1722.737132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.737132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.737132 (E_RNA) where: Base-Base interactions energy: -1113.914 where: short stacking energy: -516.504 Base-Backbone interact. energy: 0.048 local terms energy: -608.870961 where: bonds (distance) C4'-P energy: -122.272 bonds (distance) P-C4' energy: -124.987 flat angles C4'-P-C4' energy: -134.035 flat angles P-C4'-P energy: -94.232 tors. eta vs tors. theta energy: -133.345 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: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1369.100180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.100180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.100180 (E_RNA) where: Base-Base interactions energy: -825.018 where: short stacking energy: -460.646 Base-Backbone interact. energy: -1.149 local terms energy: -542.933472 where: bonds (distance) C4'-P energy: -126.064 bonds (distance) P-C4' energy: -118.261 flat angles C4'-P-C4' energy: -116.267 flat angles P-C4'-P energy: -80.370 tors. eta vs tors. theta energy: -101.971 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: 19 Temperature: 1.000000 Total energy: -1385.770797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.770797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.770797 (E_RNA) where: Base-Base interactions energy: -822.661 where: short stacking energy: -420.568 Base-Backbone interact. energy: -3.497 local terms energy: -559.613173 where: bonds (distance) C4'-P energy: -125.075 bonds (distance) P-C4' energy: -116.083 flat angles C4'-P-C4' energy: -128.932 flat angles P-C4'-P energy: -79.844 tors. eta vs tors. theta energy: -109.678 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: 10 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1303.177495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.177495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.177495 (E_RNA) where: Base-Base interactions energy: -799.452 where: short stacking energy: -393.187 Base-Backbone interact. energy: -2.274 local terms energy: -501.451293 where: bonds (distance) C4'-P energy: -115.123 bonds (distance) P-C4' energy: -123.150 flat angles C4'-P-C4' energy: -125.433 flat angles P-C4'-P energy: -70.574 tors. eta vs tors. theta energy: -67.172 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: 19 Temperature: 1.100000 Total energy: -1079.173192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.173192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.173192 (E_RNA) where: Base-Base interactions energy: -593.547 where: short stacking energy: -351.993 Base-Backbone interact. energy: -1.835 local terms energy: -483.790350 where: bonds (distance) C4'-P energy: -121.924 bonds (distance) P-C4' energy: -102.250 flat angles C4'-P-C4' energy: -114.456 flat angles P-C4'-P energy: -70.525 tors. eta vs tors. theta energy: -74.636 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: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1253.604145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.604145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.604145 (E_RNA) where: Base-Base interactions energy: -771.122 where: short stacking energy: -386.309 Base-Backbone interact. energy: -3.184 local terms energy: -479.297680 where: bonds (distance) C4'-P energy: -112.202 bonds (distance) P-C4' energy: -106.544 flat angles C4'-P-C4' energy: -107.694 flat angles P-C4'-P energy: -75.840 tors. eta vs tors. theta energy: -77.018 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: 7, replica: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -844.399863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.399863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.399863 (E_RNA) where: Base-Base interactions energy: -410.538 where: short stacking energy: -269.207 Base-Backbone interact. energy: -2.493 local terms energy: -431.368865 where: bonds (distance) C4'-P energy: -116.400 bonds (distance) P-C4' energy: -110.124 flat angles C4'-P-C4' energy: -110.994 flat angles P-C4'-P energy: -57.116 tors. eta vs tors. theta energy: -36.735 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: 8, replica: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -717.656895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.656895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.656895 (E_RNA) where: Base-Base interactions energy: -354.662 where: short stacking energy: -217.074 Base-Backbone interact. energy: 0.827 local terms energy: -363.822323 where: bonds (distance) C4'-P energy: -99.607 bonds (distance) P-C4' energy: -106.929 flat angles C4'-P-C4' energy: -89.062 flat angles P-C4'-P energy: -52.771 tors. eta vs tors. theta energy: -15.454 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: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -592.558161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.558161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.558161 (E_RNA) where: Base-Base interactions energy: -249.043 where: short stacking energy: -163.873 Base-Backbone interact. energy: -0.839 local terms energy: -342.676500 where: bonds (distance) C4'-P energy: -102.701 bonds (distance) P-C4' energy: -122.479 flat angles C4'-P-C4' energy: -93.896 flat angles P-C4'-P energy: -27.600 tors. eta vs tors. theta energy: 4.000 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: 10, replica: 2 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -472.862088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.862088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.862088 (E_RNA) where: Base-Base interactions energy: -147.999 where: short stacking energy: -125.205 Base-Backbone interact. energy: 1.468 local terms energy: -326.330828 where: bonds (distance) C4'-P energy: -94.504 bonds (distance) P-C4' energy: -106.531 flat angles C4'-P-C4' energy: -96.489 flat angles P-C4'-P energy: -45.340 tors. eta vs tors. theta energy: 16.534 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: 1, replica: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1740.218825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.218825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.218825 (E_RNA) where: Base-Base interactions energy: -1109.643 where: short stacking energy: -552.366 Base-Backbone interact. energy: -3.486 local terms energy: -627.089816 where: bonds (distance) C4'-P energy: -131.069 bonds (distance) P-C4' energy: -122.807 flat angles C4'-P-C4' energy: -133.972 flat angles P-C4'-P energy: -86.684 tors. eta vs tors. theta energy: -152.558 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: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1393.548260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.548260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.548260 (E_RNA) where: Base-Base interactions energy: -823.053 where: short stacking energy: -463.419 Base-Backbone interact. energy: -1.714 local terms energy: -568.780965 where: bonds (distance) C4'-P energy: -120.049 bonds (distance) P-C4' energy: -122.292 flat angles C4'-P-C4' energy: -125.811 flat angles P-C4'-P energy: -91.996 tors. eta vs tors. theta energy: -108.633 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: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1374.775987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.775987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.775987 (E_RNA) where: Base-Base interactions energy: -825.087 where: short stacking energy: -457.611 Base-Backbone interact. energy: -2.015 local terms energy: -547.674383 where: bonds (distance) C4'-P energy: -121.745 bonds (distance) P-C4' energy: -119.033 flat angles C4'-P-C4' energy: -136.135 flat angles P-C4'-P energy: -66.725 tors. eta vs tors. theta energy: -104.037 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: 4, replica: 10 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1370.288017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.288017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.288017 (E_RNA) where: Base-Base interactions energy: -897.908 where: short stacking energy: -414.236 Base-Backbone interact. energy: -3.322 local terms energy: -469.058307 where: bonds (distance) C4'-P energy: -98.071 bonds (distance) P-C4' energy: -107.714 flat angles C4'-P-C4' energy: -109.784 flat angles P-C4'-P energy: -59.428 tors. eta vs tors. theta energy: -94.062 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: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1362.921802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.921802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.921802 (E_RNA) where: Base-Base interactions energy: -837.583 where: short stacking energy: -411.322 Base-Backbone interact. energy: -3.380 local terms energy: -521.958461 where: bonds (distance) C4'-P energy: -115.486 bonds (distance) P-C4' energy: -131.417 flat angles C4'-P-C4' energy: -104.032 flat angles P-C4'-P energy: -76.497 tors. eta vs tors. theta energy: -94.527 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: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -997.317101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.317101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.317101 (E_RNA) where: Base-Base interactions energy: -534.835 where: short stacking energy: -291.559 Base-Backbone interact. energy: 1.877 local terms energy: -464.359063 where: bonds (distance) C4'-P energy: -116.224 bonds (distance) P-C4' energy: -115.409 flat angles C4'-P-C4' energy: -103.699 flat angles P-C4'-P energy: -69.635 tors. eta vs tors. theta energy: -59.392 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: 7, replica: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -969.390826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.390826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.390826 (E_RNA) where: Base-Base interactions energy: -572.834 where: short stacking energy: -284.296 Base-Backbone interact. energy: 1.404 local terms energy: -397.961132 where: bonds (distance) C4'-P energy: -101.239 bonds (distance) P-C4' energy: -105.291 flat angles C4'-P-C4' energy: -102.540 flat angles P-C4'-P energy: -59.704 tors. eta vs tors. theta energy: -29.187 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: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -754.996668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.996668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.996668 (E_RNA) where: Base-Base interactions energy: -390.314 where: short stacking energy: -210.966 Base-Backbone interact. energy: -2.284 local terms energy: -362.397874 where: bonds (distance) C4'-P energy: -106.901 bonds (distance) P-C4' energy: -105.138 flat angles C4'-P-C4' energy: -97.362 flat angles P-C4'-P energy: -58.634 tors. eta vs tors. theta energy: 5.637 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: 9, replica: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -648.469190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.469190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.469190 (E_RNA) where: Base-Base interactions energy: -303.017 where: short stacking energy: -181.913 Base-Backbone interact. energy: 2.808 local terms energy: -348.259847 where: bonds (distance) C4'-P energy: -107.301 bonds (distance) P-C4' energy: -91.161 flat angles C4'-P-C4' energy: -90.439 flat angles P-C4'-P energy: -52.557 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: 2 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -488.116739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.116739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.116739 (E_RNA) where: Base-Base interactions energy: -165.792 where: short stacking energy: -135.251 Base-Backbone interact. energy: -0.196 local terms energy: -322.128726 where: bonds (distance) C4'-P energy: -95.134 bonds (distance) P-C4' energy: -113.758 flat angles C4'-P-C4' energy: -65.996 flat angles P-C4'-P energy: -57.825 tors. eta vs tors. theta energy: 10.584 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: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1777.516080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.516080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.516080 (E_RNA) where: Base-Base interactions energy: -1145.736 where: short stacking energy: -554.521 Base-Backbone interact. energy: -2.484 local terms energy: -629.296143 where: bonds (distance) C4'-P energy: -119.126 bonds (distance) P-C4' energy: -131.317 flat angles C4'-P-C4' energy: -138.334 flat angles P-C4'-P energy: -98.130 tors. eta vs tors. theta energy: -142.390 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: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1390.375664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.375664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.375664 (E_RNA) where: Base-Base interactions energy: -831.121 where: short stacking energy: -434.993 Base-Backbone interact. energy: 3.234 local terms energy: -562.487905 where: bonds (distance) C4'-P energy: -122.789 bonds (distance) P-C4' energy: -121.023 flat angles C4'-P-C4' energy: -131.406 flat angles P-C4'-P energy: -90.453 tors. eta vs tors. theta energy: -96.817 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: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1394.458283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.458283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.458283 (E_RNA) where: Base-Base interactions energy: -828.316 where: short stacking energy: -434.915 Base-Backbone interact. energy: -0.990 local terms energy: -565.152226 where: bonds (distance) C4'-P energy: -121.354 bonds (distance) P-C4' energy: -127.386 flat angles C4'-P-C4' energy: -123.696 flat angles P-C4'-P energy: -82.214 tors. eta vs tors. theta energy: -110.502 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: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1474.062449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.062449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.062449 (E_RNA) where: Base-Base interactions energy: -936.033 where: short stacking energy: -463.599 Base-Backbone interact. energy: -1.828 local terms energy: -536.201253 where: bonds (distance) C4'-P energy: -98.858 bonds (distance) P-C4' energy: -115.065 flat angles C4'-P-C4' energy: -126.593 flat angles P-C4'-P energy: -72.198 tors. eta vs tors. theta energy: -123.487 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: 5, replica: 10 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1287.986710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.986710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.986710 (E_RNA) where: Base-Base interactions energy: -754.826 where: short stacking energy: -385.768 Base-Backbone interact. energy: -8.929 local terms energy: -524.231427 where: bonds (distance) C4'-P energy: -111.207 bonds (distance) P-C4' energy: -116.814 flat angles C4'-P-C4' energy: -130.032 flat angles P-C4'-P energy: -73.423 tors. eta vs tors. theta energy: -92.755 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: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1010.772054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.772054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.772054 (E_RNA) where: Base-Base interactions energy: -543.371 where: short stacking energy: -314.710 Base-Backbone interact. energy: 1.833 local terms energy: -469.234092 where: bonds (distance) C4'-P energy: -118.408 bonds (distance) P-C4' energy: -121.935 flat angles C4'-P-C4' energy: -106.377 flat angles P-C4'-P energy: -70.325 tors. eta vs tors. theta energy: -52.188 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: 7, replica: 9 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -869.005363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.005363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.005363 (E_RNA) where: Base-Base interactions energy: -455.009 where: short stacking energy: -236.046 Base-Backbone interact. energy: -1.649 local terms energy: -412.347389 where: bonds (distance) C4'-P energy: -99.850 bonds (distance) P-C4' energy: -116.101 flat angles C4'-P-C4' energy: -100.858 flat angles P-C4'-P energy: -70.911 tors. eta vs tors. theta energy: -24.628 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: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -692.782351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.782351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.782351 (E_RNA) where: Base-Base interactions energy: -314.427 where: short stacking energy: -184.061 Base-Backbone interact. energy: -1.256 local terms energy: -377.100051 where: bonds (distance) C4'-P energy: -99.032 bonds (distance) P-C4' energy: -111.276 flat angles C4'-P-C4' energy: -109.631 flat angles P-C4'-P energy: -53.023 tors. eta vs tors. theta energy: -4.139 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: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -704.563546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.563546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.563546 (E_RNA) where: Base-Base interactions energy: -327.027 where: short stacking energy: -188.692 Base-Backbone interact. energy: 0.561 local terms energy: -378.097292 where: bonds (distance) C4'-P energy: -101.294 bonds (distance) P-C4' energy: -122.206 flat angles C4'-P-C4' energy: -92.747 flat angles P-C4'-P energy: -63.184 tors. eta vs tors. theta energy: 1.334 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: 10, replica: 2 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -494.143325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.143325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.143325 (E_RNA) where: Base-Base interactions energy: -168.856 where: short stacking energy: -141.418 Base-Backbone interact. energy: 3.002 local terms energy: -328.289094 where: bonds (distance) C4'-P energy: -107.747 bonds (distance) P-C4' energy: -100.711 flat angles C4'-P-C4' energy: -87.699 flat angles P-C4'-P energy: -47.299 tors. eta vs tors. theta energy: 15.167 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: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1803.026435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.026435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.026435 (E_RNA) where: Base-Base interactions energy: -1174.004 where: short stacking energy: -554.129 Base-Backbone interact. energy: -0.789 local terms energy: -628.233422 where: bonds (distance) C4'-P energy: -125.086 bonds (distance) P-C4' energy: -120.405 flat angles C4'-P-C4' energy: -132.031 flat angles P-C4'-P energy: -93.923 tors. eta vs tors. theta energy: -156.788 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: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1404.851451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.851451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.851451 (E_RNA) where: Base-Base interactions energy: -845.151 where: short stacking energy: -415.795 Base-Backbone interact. energy: -2.395 local terms energy: -557.306024 where: bonds (distance) C4'-P energy: -123.451 bonds (distance) P-C4' energy: -137.117 flat angles C4'-P-C4' energy: -117.515 flat angles P-C4'-P energy: -82.721 tors. eta vs tors. theta energy: -96.501 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: 3, replica: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1595.044379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.044379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.044379 (E_RNA) where: Base-Base interactions energy: -1012.647 where: short stacking energy: -484.823 Base-Backbone interact. energy: 0.930 local terms energy: -583.327067 where: bonds (distance) C4'-P energy: -116.647 bonds (distance) P-C4' energy: -118.592 flat angles C4'-P-C4' energy: -137.653 flat angles P-C4'-P energy: -72.133 tors. eta vs tors. theta energy: -138.302 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: 4, replica: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1318.686398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.686398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.686398 (E_RNA) where: Base-Base interactions energy: -800.168 where: short stacking energy: -419.095 Base-Backbone interact. energy: -1.085 local terms energy: -517.433438 where: bonds (distance) C4'-P energy: -115.180 bonds (distance) P-C4' energy: -108.632 flat angles C4'-P-C4' energy: -118.687 flat angles P-C4'-P energy: -69.232 tors. eta vs tors. theta energy: -105.702 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: 10 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1222.891756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.891756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.891756 (E_RNA) where: Base-Base interactions energy: -767.454 where: short stacking energy: -354.225 Base-Backbone interact. energy: 3.328 local terms energy: -458.765146 where: bonds (distance) C4'-P energy: -105.946 bonds (distance) P-C4' energy: -110.806 flat angles C4'-P-C4' energy: -100.238 flat angles P-C4'-P energy: -70.620 tors. eta vs tors. theta energy: -71.154 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: 6, replica: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1035.898868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.898868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.898868 (E_RNA) where: Base-Base interactions energy: -556.723 where: short stacking energy: -311.112 Base-Backbone interact. energy: -0.654 local terms energy: -478.521878 where: bonds (distance) C4'-P energy: -106.390 bonds (distance) P-C4' energy: -114.165 flat angles C4'-P-C4' energy: -120.688 flat angles P-C4'-P energy: -67.065 tors. eta vs tors. theta energy: -70.215 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: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1059.232052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.232052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.232052 (E_RNA) where: Base-Base interactions energy: -624.906 where: short stacking energy: -308.097 Base-Backbone interact. energy: 1.671 local terms energy: -435.996590 where: bonds (distance) C4'-P energy: -99.700 bonds (distance) P-C4' energy: -111.268 flat angles C4'-P-C4' energy: -103.976 flat angles P-C4'-P energy: -58.857 tors. eta vs tors. theta energy: -62.196 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: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -744.893066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.893066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.893066 (E_RNA) where: Base-Base interactions energy: -382.607 where: short stacking energy: -235.451 Base-Backbone interact. energy: 1.644 local terms energy: -363.929325 where: bonds (distance) C4'-P energy: -93.411 bonds (distance) P-C4' energy: -110.902 flat angles C4'-P-C4' energy: -80.246 flat angles P-C4'-P energy: -66.182 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: 22 Temperature: 1.300000 Total energy: -753.245271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.245271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.245271 (E_RNA) where: Base-Base interactions energy: -385.213 where: short stacking energy: -218.824 Base-Backbone interact. energy: -2.296 local terms energy: -365.736627 where: bonds (distance) C4'-P energy: -93.554 bonds (distance) P-C4' energy: -105.308 flat angles C4'-P-C4' energy: -95.280 flat angles P-C4'-P energy: -40.665 tors. eta vs tors. theta energy: -30.929 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: 10, replica: 2 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -491.825464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.825464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.825464 (E_RNA) where: Base-Base interactions energy: -184.527 where: short stacking energy: -154.448 Base-Backbone interact. energy: 1.973 local terms energy: -309.272057 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -112.524 flat angles C4'-P-C4' energy: -57.896 flat angles P-C4'-P energy: -59.868 tors. eta vs tors. theta energy: 20.574 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: 1, replica: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1801.613586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.613586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.613586 (E_RNA) where: Base-Base interactions energy: -1160.549 where: short stacking energy: -556.899 Base-Backbone interact. energy: -1.930 local terms energy: -639.133974 where: bonds (distance) C4'-P energy: -130.879 bonds (distance) P-C4' energy: -123.492 flat angles C4'-P-C4' energy: -140.431 flat angles P-C4'-P energy: -92.425 tors. eta vs tors. theta energy: -151.906 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: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1695.244958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.244958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.244958 (E_RNA) where: Base-Base interactions energy: -1072.129 where: short stacking energy: -499.927 Base-Backbone interact. energy: -1.119 local terms energy: -621.996962 where: bonds (distance) C4'-P energy: -107.799 bonds (distance) P-C4' energy: -141.174 flat angles C4'-P-C4' energy: -133.422 flat angles P-C4'-P energy: -89.251 tors. eta vs tors. theta energy: -150.351 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: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1335.220925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.220925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.220925 (E_RNA) where: Base-Base interactions energy: -809.100 where: short stacking energy: -396.807 Base-Backbone interact. energy: -1.191 local terms energy: -524.930563 where: bonds (distance) C4'-P energy: -112.180 bonds (distance) P-C4' energy: -129.362 flat angles C4'-P-C4' energy: -115.882 flat angles P-C4'-P energy: -83.098 tors. eta vs tors. theta energy: -84.408 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: 4, replica: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1299.035208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.035208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.035208 (E_RNA) where: Base-Base interactions energy: -768.831 where: short stacking energy: -402.645 Base-Backbone interact. energy: -2.291 local terms energy: -527.913257 where: bonds (distance) C4'-P energy: -105.910 bonds (distance) P-C4' energy: -123.300 flat angles C4'-P-C4' energy: -125.893 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: -105.351 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: 5, replica: 10 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1269.167742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.167742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.167742 (E_RNA) where: Base-Base interactions energy: -822.843 where: short stacking energy: -366.198 Base-Backbone interact. energy: 2.268 local terms energy: -448.593275 where: bonds (distance) C4'-P energy: -119.664 bonds (distance) P-C4' energy: -101.625 flat angles C4'-P-C4' energy: -116.536 flat angles P-C4'-P energy: -49.321 tors. eta vs tors. theta energy: -61.446 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: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1143.377131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.377131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.377131 (E_RNA) where: Base-Base interactions energy: -697.731 where: short stacking energy: -341.289 Base-Backbone interact. energy: -0.704 local terms energy: -444.942034 where: bonds (distance) C4'-P energy: -101.196 bonds (distance) P-C4' energy: -118.117 flat angles C4'-P-C4' energy: -107.299 flat angles P-C4'-P energy: -54.308 tors. eta vs tors. theta energy: -64.022 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: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -983.247520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.247520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.247520 (E_RNA) where: Base-Base interactions energy: -541.499 where: short stacking energy: -304.047 Base-Backbone interact. energy: -1.714 local terms energy: -440.034281 where: bonds (distance) C4'-P energy: -111.986 bonds (distance) P-C4' energy: -114.966 flat angles C4'-P-C4' energy: -92.528 flat angles P-C4'-P energy: -67.010 tors. eta vs tors. theta energy: -53.545 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: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -762.816063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.816063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.816063 (E_RNA) where: Base-Base interactions energy: -403.302 where: short stacking energy: -240.622 Base-Backbone interact. energy: 3.313 local terms energy: -362.827161 where: bonds (distance) C4'-P energy: -90.506 bonds (distance) P-C4' energy: -112.379 flat angles C4'-P-C4' energy: -80.015 flat angles P-C4'-P energy: -58.661 tors. eta vs tors. theta energy: -21.267 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: 6 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -703.370826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.370826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.370826 (E_RNA) where: Base-Base interactions energy: -347.307 where: short stacking energy: -204.264 Base-Backbone interact. energy: 1.301 local terms energy: -357.364263 where: bonds (distance) C4'-P energy: -93.912 bonds (distance) P-C4' energy: -108.721 flat angles C4'-P-C4' energy: -98.022 flat angles P-C4'-P energy: -53.879 tors. eta vs tors. theta energy: -2.830 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: 10, replica: 2 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -484.517430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.517430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.517430 (E_RNA) where: Base-Base interactions energy: -172.827 where: short stacking energy: -130.506 Base-Backbone interact. energy: -0.614 local terms energy: -311.076255 where: bonds (distance) C4'-P energy: -90.197 bonds (distance) P-C4' energy: -102.917 flat angles C4'-P-C4' energy: -77.806 flat angles P-C4'-P energy: -59.799 tors. eta vs tors. theta energy: 19.642 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: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1781.536300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.536300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.536300 (E_RNA) where: Base-Base interactions energy: -1171.067 where: short stacking energy: -536.040 Base-Backbone interact. energy: -0.100 local terms energy: -610.369999 where: bonds (distance) C4'-P energy: -128.010 bonds (distance) P-C4' energy: -124.422 flat angles C4'-P-C4' energy: -126.799 flat angles P-C4'-P energy: -81.160 tors. eta vs tors. theta energy: -149.979 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: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1713.782770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.782770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.782770 (E_RNA) where: Base-Base interactions energy: -1115.180 where: short stacking energy: -516.178 Base-Backbone interact. energy: -2.191 local terms energy: -596.412037 where: bonds (distance) C4'-P energy: -113.409 bonds (distance) P-C4' energy: -117.454 flat angles C4'-P-C4' energy: -144.484 flat angles P-C4'-P energy: -76.761 tors. eta vs tors. theta energy: -144.305 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: 3, replica: 4 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1401.643186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.643186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.643186 (E_RNA) where: Base-Base interactions energy: -887.734 where: short stacking energy: -403.682 Base-Backbone interact. energy: -1.788 local terms energy: -512.121525 where: bonds (distance) C4'-P energy: -109.583 bonds (distance) P-C4' energy: -121.551 flat angles C4'-P-C4' energy: -115.774 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: -96.204 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: 3 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1333.775491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.775491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.775491 (E_RNA) where: Base-Base interactions energy: -793.508 where: short stacking energy: -413.518 Base-Backbone interact. energy: 1.833 local terms energy: -542.100663 where: bonds (distance) C4'-P energy: -122.033 bonds (distance) P-C4' energy: -119.481 flat angles C4'-P-C4' energy: -122.511 flat angles P-C4'-P energy: -59.992 tors. eta vs tors. theta energy: -118.084 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: 10 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1303.001202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.001202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.001202 (E_RNA) where: Base-Base interactions energy: -817.201 where: short stacking energy: -363.043 Base-Backbone interact. energy: -2.009 local terms energy: -483.791407 where: bonds (distance) C4'-P energy: -100.590 bonds (distance) P-C4' energy: -109.971 flat angles C4'-P-C4' energy: -129.607 flat angles P-C4'-P energy: -82.453 tors. eta vs tors. theta energy: -61.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1241.743426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.743426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.743426 (E_RNA) where: Base-Base interactions energy: -760.031 where: short stacking energy: -359.890 Base-Backbone interact. energy: -2.253 local terms energy: -479.459561 where: bonds (distance) C4'-P energy: -125.886 bonds (distance) P-C4' energy: -104.413 flat angles C4'-P-C4' energy: -100.878 flat angles P-C4'-P energy: -74.506 tors. eta vs tors. theta energy: -73.776 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: 7, replica: 1 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -963.950476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.950476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.950476 (E_RNA) where: Base-Base interactions energy: -531.150 where: short stacking energy: -303.625 Base-Backbone interact. energy: -0.585 local terms energy: -432.215809 where: bonds (distance) C4'-P energy: -88.155 bonds (distance) P-C4' energy: -91.533 flat angles C4'-P-C4' energy: -115.760 flat angles P-C4'-P energy: -75.182 tors. eta vs tors. theta energy: -61.586 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: 24 Temperature: 1.250000 Total energy: -755.230276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.230276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.230276 (E_RNA) where: Base-Base interactions energy: -353.626 where: short stacking energy: -197.415 Base-Backbone interact. energy: 5.809 local terms energy: -407.413123 where: bonds (distance) C4'-P energy: -109.175 bonds (distance) P-C4' energy: -110.162 flat angles C4'-P-C4' energy: -100.383 flat angles P-C4'-P energy: -73.321 tors. eta vs tors. theta energy: -14.372 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: 24 Temperature: 1.300000 Total energy: -676.975352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.975352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.975352 (E_RNA) where: Base-Base interactions energy: -311.237 where: short stacking energy: -196.529 Base-Backbone interact. energy: -3.744 local terms energy: -361.994487 where: bonds (distance) C4'-P energy: -112.420 bonds (distance) P-C4' energy: -98.260 flat angles C4'-P-C4' energy: -87.145 flat angles P-C4'-P energy: -59.102 tors. eta vs tors. theta energy: -5.067 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: 10, replica: 2 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -510.759076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.759076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.759076 (E_RNA) where: Base-Base interactions energy: -193.303 where: short stacking energy: -168.173 Base-Backbone interact. energy: 1.436 local terms energy: -318.891826 where: bonds (distance) C4'-P energy: -80.116 bonds (distance) P-C4' energy: -96.809 flat angles C4'-P-C4' energy: -104.395 flat angles P-C4'-P energy: -46.780 tors. eta vs tors. theta energy: 9.209 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: 1, replica: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1815.161241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.161241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.161241 (E_RNA) where: Base-Base interactions energy: -1173.250 where: short stacking energy: -540.769 Base-Backbone interact. energy: -2.214 local terms energy: -639.697268 where: bonds (distance) C4'-P energy: -121.582 bonds (distance) P-C4' energy: -132.257 flat angles C4'-P-C4' energy: -142.805 flat angles P-C4'-P energy: -98.900 tors. eta vs tors. theta energy: -144.154 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: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1724.946881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.946881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.946881 (E_RNA) where: Base-Base interactions energy: -1107.999 where: short stacking energy: -527.204 Base-Backbone interact. energy: -3.767 local terms energy: -613.180847 where: bonds (distance) C4'-P energy: -108.546 bonds (distance) P-C4' energy: -115.404 flat angles C4'-P-C4' energy: -146.776 flat angles P-C4'-P energy: -90.150 tors. eta vs tors. theta energy: -152.305 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: 3, replica: 4 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1387.251733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.251733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.251733 (E_RNA) where: Base-Base interactions energy: -881.686 where: short stacking energy: -410.965 Base-Backbone interact. energy: -1.535 local terms energy: -504.031334 where: bonds (distance) C4'-P energy: -124.127 bonds (distance) P-C4' energy: -95.325 flat angles C4'-P-C4' energy: -115.082 flat angles P-C4'-P energy: -71.976 tors. eta vs tors. theta energy: -97.522 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: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1403.946849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.946849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.946849 (E_RNA) where: Base-Base interactions energy: -925.249 where: short stacking energy: -370.630 Base-Backbone interact. energy: 0.082 local terms energy: -478.780635 where: bonds (distance) C4'-P energy: -100.640 bonds (distance) P-C4' energy: -113.209 flat angles C4'-P-C4' energy: -115.690 flat angles P-C4'-P energy: -74.670 tors. eta vs tors. theta energy: -74.572 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: 5, replica: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1277.618405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.618405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.618405 (E_RNA) where: Base-Base interactions energy: -767.952 where: short stacking energy: -401.875 Base-Backbone interact. energy: -0.377 local terms energy: -509.289167 where: bonds (distance) C4'-P energy: -112.658 bonds (distance) P-C4' energy: -105.180 flat angles C4'-P-C4' energy: -123.609 flat angles P-C4'-P energy: -74.562 tors. eta vs tors. theta energy: -93.280 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: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1247.039743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.039743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.039743 (E_RNA) where: Base-Base interactions energy: -740.587 where: short stacking energy: -343.325 Base-Backbone interact. energy: -3.215 local terms energy: -503.237234 where: bonds (distance) C4'-P energy: -125.845 bonds (distance) P-C4' energy: -111.306 flat angles C4'-P-C4' energy: -115.260 flat angles P-C4'-P energy: -85.786 tors. eta vs tors. theta energy: -65.041 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: 7, replica: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -984.239307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.239307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.239307 (E_RNA) where: Base-Base interactions energy: -545.852 where: short stacking energy: -317.336 Base-Backbone interact. energy: -1.087 local terms energy: -437.300022 where: bonds (distance) C4'-P energy: -96.414 bonds (distance) P-C4' energy: -102.542 flat angles C4'-P-C4' energy: -104.036 flat angles P-C4'-P energy: -71.330 tors. eta vs tors. theta energy: -62.978 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: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -722.968288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.968288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.968288 (E_RNA) where: Base-Base interactions energy: -328.780 where: short stacking energy: -210.279 Base-Backbone interact. energy: -1.455 local terms energy: -392.734115 where: bonds (distance) C4'-P energy: -104.797 bonds (distance) P-C4' energy: -124.529 flat angles C4'-P-C4' energy: -109.233 flat angles P-C4'-P energy: -46.454 tors. eta vs tors. theta energy: -7.721 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: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -688.944344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.944344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.944344 (E_RNA) where: Base-Base interactions energy: -319.192 where: short stacking energy: -185.523 Base-Backbone interact. energy: -2.091 local terms energy: -367.661688 where: bonds (distance) C4'-P energy: -98.343 bonds (distance) P-C4' energy: -98.379 flat angles C4'-P-C4' energy: -87.513 flat angles P-C4'-P energy: -82.667 tors. eta vs tors. theta energy: -0.760 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: 10, replica: 2 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -490.551524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.551524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.551524 (E_RNA) where: Base-Base interactions energy: -172.674 where: short stacking energy: -138.832 Base-Backbone interact. energy: 3.043 local terms energy: -320.920015 where: bonds (distance) C4'-P energy: -86.443 bonds (distance) P-C4' energy: -114.191 flat angles C4'-P-C4' energy: -100.701 flat angles P-C4'-P energy: -40.704 tors. eta vs tors. theta energy: 21.119 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: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1837.510670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.510670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.510670 (E_RNA) where: Base-Base interactions energy: -1187.593 where: short stacking energy: -553.197 Base-Backbone interact. energy: 1.272 local terms energy: -651.189893 where: bonds (distance) C4'-P energy: -116.315 bonds (distance) P-C4' energy: -134.707 flat angles C4'-P-C4' energy: -145.244 flat angles P-C4'-P energy: -105.309 tors. eta vs tors. theta energy: -149.616 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: 2, replica: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1722.161362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.161362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.161362 (E_RNA) where: Base-Base interactions energy: -1112.869 where: short stacking energy: -505.892 Base-Backbone interact. energy: -3.715 local terms energy: -605.577212 where: bonds (distance) C4'-P energy: -120.504 bonds (distance) P-C4' energy: -134.493 flat angles C4'-P-C4' energy: -131.501 flat angles P-C4'-P energy: -80.818 tors. eta vs tors. theta energy: -138.261 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: 3, replica: 10 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1527.791260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.791260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.791260 (E_RNA) where: Base-Base interactions energy: -964.954 where: short stacking energy: -462.985 Base-Backbone interact. energy: -1.310 local terms energy: -561.527927 where: bonds (distance) C4'-P energy: -121.954 bonds (distance) P-C4' energy: -125.858 flat angles C4'-P-C4' energy: -136.335 flat angles P-C4'-P energy: -74.819 tors. eta vs tors. theta energy: -102.562 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: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1344.000518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.000518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.000518 (E_RNA) where: Base-Base interactions energy: -839.560 where: short stacking energy: -395.883 Base-Backbone interact. energy: -0.277 local terms energy: -504.163371 where: bonds (distance) C4'-P energy: -111.462 bonds (distance) P-C4' energy: -128.497 flat angles C4'-P-C4' energy: -109.047 flat angles P-C4'-P energy: -75.470 tors. eta vs tors. theta energy: -79.687 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: 5, replica: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1317.709472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.709472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.709472 (E_RNA) where: Base-Base interactions energy: -846.296 where: short stacking energy: -405.886 Base-Backbone interact. energy: -2.679 local terms energy: -468.735070 where: bonds (distance) C4'-P energy: -103.642 bonds (distance) P-C4' energy: -111.412 flat angles C4'-P-C4' energy: -100.712 flat angles P-C4'-P energy: -63.662 tors. eta vs tors. theta energy: -89.307 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: 3 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1136.079509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.079509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.079509 (E_RNA) where: Base-Base interactions energy: -687.485 where: short stacking energy: -336.469 Base-Backbone interact. energy: 2.776 local terms energy: -451.370518 where: bonds (distance) C4'-P energy: -104.088 bonds (distance) P-C4' energy: -93.605 flat angles C4'-P-C4' energy: -111.065 flat angles P-C4'-P energy: -69.897 tors. eta vs tors. theta energy: -72.716 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: 7, replica: 1 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -894.427103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.427103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.427103 (E_RNA) where: Base-Base interactions energy: -472.313 where: short stacking energy: -261.252 Base-Backbone interact. energy: -1.502 local terms energy: -420.611921 where: bonds (distance) C4'-P energy: -100.995 bonds (distance) P-C4' energy: -108.749 flat angles C4'-P-C4' energy: -107.911 flat angles P-C4'-P energy: -58.303 tors. eta vs tors. theta energy: -44.654 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: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -729.838052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.838052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.838052 (E_RNA) where: Base-Base interactions energy: -366.105 where: short stacking energy: -199.616 Base-Backbone interact. energy: 3.057 local terms energy: -366.790432 where: bonds (distance) C4'-P energy: -113.537 bonds (distance) P-C4' energy: -99.636 flat angles C4'-P-C4' energy: -82.930 flat angles P-C4'-P energy: -62.387 tors. eta vs tors. theta energy: -8.300 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: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -671.536366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.536366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.536366 (E_RNA) where: Base-Base interactions energy: -342.273 where: short stacking energy: -196.314 Base-Backbone interact. energy: -2.964 local terms energy: -326.298879 where: bonds (distance) C4'-P energy: -95.004 bonds (distance) P-C4' energy: -116.390 flat angles C4'-P-C4' energy: -79.614 flat angles P-C4'-P energy: -56.482 tors. eta vs tors. theta energy: 21.192 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: 10, replica: 2 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -493.120274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.120274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.120274 (E_RNA) where: Base-Base interactions energy: -173.572 where: short stacking energy: -129.695 Base-Backbone interact. energy: 3.258 local terms energy: -322.805688 where: bonds (distance) C4'-P energy: -113.658 bonds (distance) P-C4' energy: -102.108 flat angles C4'-P-C4' energy: -83.600 flat angles P-C4'-P energy: -56.431 tors. eta vs tors. theta energy: 32.991 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: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1878.163739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.163739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.163739 (E_RNA) where: Base-Base interactions energy: -1232.150 where: short stacking energy: -563.403 Base-Backbone interact. energy: -0.930 local terms energy: -645.083718 where: bonds (distance) C4'-P energy: -125.931 bonds (distance) P-C4' energy: -121.253 flat angles C4'-P-C4' energy: -139.067 flat angles P-C4'-P energy: -99.409 tors. eta vs tors. theta energy: -159.424 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: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1744.408216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.408216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.408216 (E_RNA) where: Base-Base interactions energy: -1158.478 where: short stacking energy: -544.142 Base-Backbone interact. energy: -4.051 local terms energy: -581.879566 where: bonds (distance) C4'-P energy: -118.349 bonds (distance) P-C4' energy: -114.556 flat angles C4'-P-C4' energy: -127.388 flat angles P-C4'-P energy: -80.169 tors. eta vs tors. theta energy: -141.417 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: 27 Temperature: 1.000000 Total energy: -1555.802521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.802521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.802521 (E_RNA) where: Base-Base interactions energy: -1005.400 where: short stacking energy: -453.958 Base-Backbone interact. energy: 2.353 local terms energy: -552.755963 where: bonds (distance) C4'-P energy: -98.241 bonds (distance) P-C4' energy: -131.382 flat angles C4'-P-C4' energy: -124.995 flat angles P-C4'-P energy: -86.046 tors. eta vs tors. theta energy: -112.092 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: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1343.399361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.399361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.399361 (E_RNA) where: Base-Base interactions energy: -856.740 where: short stacking energy: -401.130 Base-Backbone interact. energy: 0.456 local terms energy: -487.115481 where: bonds (distance) C4'-P energy: -112.638 bonds (distance) P-C4' energy: -111.204 flat angles C4'-P-C4' energy: -109.068 flat angles P-C4'-P energy: -74.502 tors. eta vs tors. theta energy: -79.704 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: 5, replica: 9 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1344.751383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.751383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.751383 (E_RNA) where: Base-Base interactions energy: -849.315 where: short stacking energy: -388.849 Base-Backbone interact. energy: -2.142 local terms energy: -493.293929 where: bonds (distance) C4'-P energy: -118.419 bonds (distance) P-C4' energy: -112.831 flat angles C4'-P-C4' energy: -114.449 flat angles P-C4'-P energy: -68.672 tors. eta vs tors. theta energy: -78.922 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: 6, replica: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1024.663057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.663057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.663057 (E_RNA) where: Base-Base interactions energy: -573.534 where: short stacking energy: -308.645 Base-Backbone interact. energy: 4.743 local terms energy: -455.871999 where: bonds (distance) C4'-P energy: -94.614 bonds (distance) P-C4' energy: -120.382 flat angles C4'-P-C4' energy: -117.819 flat angles P-C4'-P energy: -69.394 tors. eta vs tors. theta energy: -53.662 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: 7, replica: 1 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -879.269981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.269981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.269981 (E_RNA) where: Base-Base interactions energy: -472.935 where: short stacking energy: -247.967 Base-Backbone interact. energy: 4.849 local terms energy: -411.183256 where: bonds (distance) C4'-P energy: -109.581 bonds (distance) P-C4' energy: -114.400 flat angles C4'-P-C4' energy: -115.476 flat angles P-C4'-P energy: -54.482 tors. eta vs tors. theta energy: -17.244 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: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -741.696011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.696011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.696011 (E_RNA) where: Base-Base interactions energy: -347.098 where: short stacking energy: -213.083 Base-Backbone interact. energy: -3.008 local terms energy: -391.590436 where: bonds (distance) C4'-P energy: -98.093 bonds (distance) P-C4' energy: -116.230 flat angles C4'-P-C4' energy: -89.861 flat angles P-C4'-P energy: -75.724 tors. eta vs tors. theta energy: -11.683 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: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -694.310860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.310860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.310860 (E_RNA) where: Base-Base interactions energy: -316.701 where: short stacking energy: -197.269 Base-Backbone interact. energy: -2.796 local terms energy: -374.813345 where: bonds (distance) C4'-P energy: -107.230 bonds (distance) P-C4' energy: -111.671 flat angles C4'-P-C4' energy: -97.493 flat angles P-C4'-P energy: -59.267 tors. eta vs tors. theta energy: 0.847 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: 10, replica: 2 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -473.903426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.903426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.903426 (E_RNA) where: Base-Base interactions energy: -164.934 where: short stacking energy: -145.476 Base-Backbone interact. energy: 2.580 local terms energy: -311.549647 where: bonds (distance) C4'-P energy: -111.904 bonds (distance) P-C4' energy: -80.043 flat angles C4'-P-C4' energy: -84.828 flat angles P-C4'-P energy: -53.307 tors. eta vs tors. theta energy: 18.531 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: 1, replica: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1880.205131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.205131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.205131 (E_RNA) where: Base-Base interactions energy: -1232.459 where: short stacking energy: -577.726 Base-Backbone interact. energy: -1.037 local terms energy: -646.709274 where: bonds (distance) C4'-P energy: -126.259 bonds (distance) P-C4' energy: -129.621 flat angles C4'-P-C4' energy: -138.675 flat angles P-C4'-P energy: -93.778 tors. eta vs tors. theta energy: -158.377 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: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1744.272925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.272925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.272925 (E_RNA) where: Base-Base interactions energy: -1144.369 where: short stacking energy: -530.665 Base-Backbone interact. energy: -0.344 local terms energy: -599.559256 where: bonds (distance) C4'-P energy: -134.106 bonds (distance) P-C4' energy: -100.777 flat angles C4'-P-C4' energy: -127.942 flat angles P-C4'-P energy: -91.065 tors. eta vs tors. theta energy: -145.670 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: 10 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1575.421113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.421113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.421113 (E_RNA) where: Base-Base interactions energy: -1039.358 where: short stacking energy: -457.281 Base-Backbone interact. energy: -1.507 local terms energy: -534.556559 where: bonds (distance) C4'-P energy: -115.805 bonds (distance) P-C4' energy: -96.023 flat angles C4'-P-C4' energy: -120.276 flat angles P-C4'-P energy: -95.291 tors. eta vs tors. theta energy: -107.161 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: 4, replica: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1345.969843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.969843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.969843 (E_RNA) where: Base-Base interactions energy: -856.856 where: short stacking energy: -386.834 Base-Backbone interact. energy: 0.585 local terms energy: -489.699716 where: bonds (distance) C4'-P energy: -93.923 bonds (distance) P-C4' energy: -126.410 flat angles C4'-P-C4' energy: -123.382 flat angles P-C4'-P energy: -70.661 tors. eta vs tors. theta energy: -75.324 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: 9 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1390.316935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.316935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.316935 (E_RNA) where: Base-Base interactions energy: -874.540 where: short stacking energy: -403.225 Base-Backbone interact. energy: 1.988 local terms energy: -517.764726 where: bonds (distance) C4'-P energy: -114.524 bonds (distance) P-C4' energy: -117.393 flat angles C4'-P-C4' energy: -120.289 flat angles P-C4'-P energy: -64.924 tors. eta vs tors. theta energy: -100.635 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: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1000.177626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.177626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.177626 (E_RNA) where: Base-Base interactions energy: -549.602 where: short stacking energy: -281.025 Base-Backbone interact. energy: -1.021 local terms energy: -449.555051 where: bonds (distance) C4'-P energy: -105.184 bonds (distance) P-C4' energy: -124.448 flat angles C4'-P-C4' energy: -101.651 flat angles P-C4'-P energy: -67.066 tors. eta vs tors. theta energy: -51.206 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: 7, replica: 1 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -959.980680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.980680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.980680 (E_RNA) where: Base-Base interactions energy: -543.737 where: short stacking energy: -275.281 Base-Backbone interact. energy: -0.527 local terms energy: -415.716588 where: bonds (distance) C4'-P energy: -100.085 bonds (distance) P-C4' energy: -100.171 flat angles C4'-P-C4' energy: -125.386 flat angles P-C4'-P energy: -42.840 tors. eta vs tors. theta energy: -47.235 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: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -788.070674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.070674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.070674 (E_RNA) where: Base-Base interactions energy: -408.076 where: short stacking energy: -236.272 Base-Backbone interact. energy: 0.050 local terms energy: -380.044669 where: bonds (distance) C4'-P energy: -108.669 bonds (distance) P-C4' energy: -99.976 flat angles C4'-P-C4' energy: -96.311 flat angles P-C4'-P energy: -51.198 tors. eta vs tors. theta energy: -23.891 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: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -666.005308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.005308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.005308 (E_RNA) where: Base-Base interactions energy: -319.179 where: short stacking energy: -182.192 Base-Backbone interact. energy: 0.300 local terms energy: -347.126492 where: bonds (distance) C4'-P energy: -83.300 bonds (distance) P-C4' energy: -110.152 flat angles C4'-P-C4' energy: -98.885 flat angles P-C4'-P energy: -70.764 tors. eta vs tors. theta energy: 15.974 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: 2 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -471.806404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.806404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.806404 (E_RNA) where: Base-Base interactions energy: -183.976 where: short stacking energy: -168.807 Base-Backbone interact. energy: 4.696 local terms energy: -292.526763 where: bonds (distance) C4'-P energy: -88.928 bonds (distance) P-C4' energy: -116.617 flat angles C4'-P-C4' energy: -77.943 flat angles P-C4'-P energy: -33.958 tors. eta vs tors. theta energy: 24.919 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: 1, replica: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1873.480994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.480994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.480994 (E_RNA) where: Base-Base interactions energy: -1208.389 where: short stacking energy: -585.634 Base-Backbone interact. energy: -1.323 local terms energy: -663.768232 where: bonds (distance) C4'-P energy: -132.172 bonds (distance) P-C4' energy: -124.237 flat angles C4'-P-C4' energy: -149.390 flat angles P-C4'-P energy: -102.334 tors. eta vs tors. theta energy: -155.636 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: 5 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1825.984957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.984957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.984957 (E_RNA) where: Base-Base interactions energy: -1232.922 where: short stacking energy: -566.966 Base-Backbone interact. energy: -3.285 local terms energy: -589.778191 where: bonds (distance) C4'-P energy: -117.079 bonds (distance) P-C4' energy: -117.985 flat angles C4'-P-C4' energy: -132.960 flat angles P-C4'-P energy: -70.609 tors. eta vs tors. theta energy: -151.146 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: 3, replica: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1589.962575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.962575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.962575 (E_RNA) where: Base-Base interactions energy: -1037.695 where: short stacking energy: -463.853 Base-Backbone interact. energy: -2.651 local terms energy: -549.616722 where: bonds (distance) C4'-P energy: -117.074 bonds (distance) P-C4' energy: -125.985 flat angles C4'-P-C4' energy: -108.772 flat angles P-C4'-P energy: -90.668 tors. eta vs tors. theta energy: -107.119 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: 4, replica: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1435.508542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.508542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.508542 (E_RNA) where: Base-Base interactions energy: -902.227 where: short stacking energy: -409.293 Base-Backbone interact. energy: 7.785 local terms energy: -541.067030 where: bonds (distance) C4'-P energy: -117.594 bonds (distance) P-C4' energy: -114.945 flat angles C4'-P-C4' energy: -123.517 flat angles P-C4'-P energy: -82.971 tors. eta vs tors. theta energy: -102.040 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: 5, replica: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1311.121170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.121170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.121170 (E_RNA) where: Base-Base interactions energy: -822.776 where: short stacking energy: -360.765 Base-Backbone interact. energy: -4.506 local terms energy: -483.839360 where: bonds (distance) C4'-P energy: -110.916 bonds (distance) P-C4' energy: -119.923 flat angles C4'-P-C4' energy: -114.938 flat angles P-C4'-P energy: -75.017 tors. eta vs tors. theta energy: -63.046 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: 6, replica: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1055.611057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.611057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.611057 (E_RNA) where: Base-Base interactions energy: -600.693 where: short stacking energy: -335.204 Base-Backbone interact. energy: 2.334 local terms energy: -457.251279 where: bonds (distance) C4'-P energy: -121.757 bonds (distance) P-C4' energy: -112.187 flat angles C4'-P-C4' energy: -95.697 flat angles P-C4'-P energy: -67.689 tors. eta vs tors. theta energy: -59.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -933.081930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.081930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.081930 (E_RNA) where: Base-Base interactions energy: -463.466 where: short stacking energy: -243.150 Base-Backbone interact. energy: -4.035 local terms energy: -465.580522 where: bonds (distance) C4'-P energy: -115.747 bonds (distance) P-C4' energy: -140.100 flat angles C4'-P-C4' energy: -106.204 flat angles P-C4'-P energy: -72.938 tors. eta vs tors. theta energy: -30.591 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: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -760.023730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.023730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.023730 (E_RNA) where: Base-Base interactions energy: -382.206 where: short stacking energy: -219.692 Base-Backbone interact. energy: 3.101 local terms energy: -380.919064 where: bonds (distance) C4'-P energy: -106.126 bonds (distance) P-C4' energy: -102.296 flat angles C4'-P-C4' energy: -106.662 flat angles P-C4'-P energy: -56.371 tors. eta vs tors. theta energy: -9.464 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: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -713.490356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.490356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.490356 (E_RNA) where: Base-Base interactions energy: -345.233 where: short stacking energy: -193.046 Base-Backbone interact. energy: 3.175 local terms energy: -371.431970 where: bonds (distance) C4'-P energy: -107.968 bonds (distance) P-C4' energy: -113.810 flat angles C4'-P-C4' energy: -103.346 flat angles P-C4'-P energy: -41.128 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: 2 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -489.150617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.150617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.150617 (E_RNA) where: Base-Base interactions energy: -207.730 where: short stacking energy: -147.473 Base-Backbone interact. energy: -3.002 local terms energy: -278.419503 where: bonds (distance) C4'-P energy: -87.014 bonds (distance) P-C4' energy: -110.771 flat angles C4'-P-C4' energy: -68.154 flat angles P-C4'-P energy: -38.098 tors. eta vs tors. theta energy: 25.617 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: 1, replica: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1865.338756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.338756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.338756 (E_RNA) where: Base-Base interactions energy: -1216.479 where: short stacking energy: -588.497 Base-Backbone interact. energy: -1.604 local terms energy: -647.255830 where: bonds (distance) C4'-P energy: -123.941 bonds (distance) P-C4' energy: -137.089 flat angles C4'-P-C4' energy: -131.696 flat angles P-C4'-P energy: -84.713 tors. eta vs tors. theta energy: -169.816 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: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1815.310137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.310137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.310137 (E_RNA) where: Base-Base interactions energy: -1181.633 where: short stacking energy: -521.007 Base-Backbone interact. energy: -4.102 local terms energy: -629.575088 where: bonds (distance) C4'-P energy: -124.926 bonds (distance) P-C4' energy: -126.070 flat angles C4'-P-C4' energy: -141.852 flat angles P-C4'-P energy: -91.304 tors. eta vs tors. theta energy: -145.423 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: 3, replica: 10 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1594.176022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.176022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.176022 (E_RNA) where: Base-Base interactions energy: -1020.081 where: short stacking energy: -464.808 Base-Backbone interact. energy: -3.592 local terms energy: -570.503185 where: bonds (distance) C4'-P energy: -119.800 bonds (distance) P-C4' energy: -133.273 flat angles C4'-P-C4' energy: -116.550 flat angles P-C4'-P energy: -82.836 tors. eta vs tors. theta energy: -118.045 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: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1577.347613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.347613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.347613 (E_RNA) where: Base-Base interactions energy: -1042.131 where: short stacking energy: -443.203 Base-Backbone interact. energy: -2.080 local terms energy: -533.137042 where: bonds (distance) C4'-P energy: -93.905 bonds (distance) P-C4' energy: -128.784 flat angles C4'-P-C4' energy: -119.289 flat angles P-C4'-P energy: -81.888 tors. eta vs tors. theta energy: -109.271 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: 5, replica: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1302.041280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.041280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.041280 (E_RNA) where: Base-Base interactions energy: -821.301 where: short stacking energy: -390.695 Base-Backbone interact. energy: -3.958 local terms energy: -476.782191 where: bonds (distance) C4'-P energy: -118.730 bonds (distance) P-C4' energy: -104.551 flat angles C4'-P-C4' energy: -104.101 flat angles P-C4'-P energy: -66.176 tors. eta vs tors. theta energy: -83.224 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: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1014.266124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.266124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.266124 (E_RNA) where: Base-Base interactions energy: -564.110 where: short stacking energy: -291.606 Base-Backbone interact. energy: -2.092 local terms energy: -448.064360 where: bonds (distance) C4'-P energy: -113.055 bonds (distance) P-C4' energy: -115.934 flat angles C4'-P-C4' energy: -108.093 flat angles P-C4'-P energy: -62.891 tors. eta vs tors. theta energy: -48.091 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: 7, replica: 1 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -984.984911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.984911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.984911 (E_RNA) where: Base-Base interactions energy: -557.792 where: short stacking energy: -262.047 Base-Backbone interact. energy: -3.187 local terms energy: -424.005990 where: bonds (distance) C4'-P energy: -102.264 bonds (distance) P-C4' energy: -116.087 flat angles C4'-P-C4' energy: -110.729 flat angles P-C4'-P energy: -55.240 tors. eta vs tors. theta energy: -39.686 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: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -727.747469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.747469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.747469 (E_RNA) where: Base-Base interactions energy: -369.418 where: short stacking energy: -203.691 Base-Backbone interact. energy: 2.032 local terms energy: -360.361591 where: bonds (distance) C4'-P energy: -100.029 bonds (distance) P-C4' energy: -101.418 flat angles C4'-P-C4' energy: -88.422 flat angles P-C4'-P energy: -52.645 tors. eta vs tors. theta energy: -17.848 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: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -712.361194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.361194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.361194 (E_RNA) where: Base-Base interactions energy: -375.677 where: short stacking energy: -189.623 Base-Backbone interact. energy: -0.751 local terms energy: -335.932507 where: bonds (distance) C4'-P energy: -93.507 bonds (distance) P-C4' energy: -116.063 flat angles C4'-P-C4' energy: -88.204 flat angles P-C4'-P energy: -51.215 tors. eta vs tors. theta energy: 13.055 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: 10, replica: 2 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -498.281720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.281720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.281720 (E_RNA) where: Base-Base interactions energy: -183.189 where: short stacking energy: -121.343 Base-Backbone interact. energy: 2.727 local terms energy: -317.820060 where: bonds (distance) C4'-P energy: -109.285 bonds (distance) P-C4' energy: -94.212 flat angles C4'-P-C4' energy: -89.614 flat angles P-C4'-P energy: -57.984 tors. eta vs tors. theta energy: 33.275 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: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1876.640110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.640110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.640110 (E_RNA) where: Base-Base interactions energy: -1230.410 where: short stacking energy: -555.304 Base-Backbone interact. energy: -3.401 local terms energy: -642.828934 where: bonds (distance) C4'-P energy: -130.784 bonds (distance) P-C4' energy: -118.507 flat angles C4'-P-C4' energy: -148.288 flat angles P-C4'-P energy: -96.512 tors. eta vs tors. theta energy: -148.738 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: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1823.804564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.804564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.804564 (E_RNA) where: Base-Base interactions energy: -1199.182 where: short stacking energy: -563.608 Base-Backbone interact. energy: -3.421 local terms energy: -621.201649 where: bonds (distance) C4'-P energy: -111.181 bonds (distance) P-C4' energy: -129.772 flat angles C4'-P-C4' energy: -138.849 flat angles P-C4'-P energy: -84.282 tors. eta vs tors. theta energy: -157.118 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: 10 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1539.232047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.232047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.232047 (E_RNA) where: Base-Base interactions energy: -1002.395 where: short stacking energy: -437.844 Base-Backbone interact. energy: 5.235 local terms energy: -542.072151 where: bonds (distance) C4'-P energy: -115.501 bonds (distance) P-C4' energy: -118.804 flat angles C4'-P-C4' energy: -129.809 flat angles P-C4'-P energy: -81.260 tors. eta vs tors. theta energy: -96.698 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: 4, replica: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1685.849719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.849719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.849719 (E_RNA) where: Base-Base interactions energy: -1117.662 where: short stacking energy: -468.323 Base-Backbone interact. energy: -0.892 local terms energy: -567.295706 where: bonds (distance) C4'-P energy: -116.561 bonds (distance) P-C4' energy: -113.652 flat angles C4'-P-C4' energy: -112.747 flat angles P-C4'-P energy: -91.929 tors. eta vs tors. theta energy: -132.406 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: 5, replica: 4 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1316.310969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.310969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.310969 (E_RNA) where: Base-Base interactions energy: -830.410 where: short stacking energy: -383.496 Base-Backbone interact. energy: -0.038 local terms energy: -485.863580 where: bonds (distance) C4'-P energy: -114.093 bonds (distance) P-C4' energy: -102.510 flat angles C4'-P-C4' energy: -115.604 flat angles P-C4'-P energy: -73.553 tors. eta vs tors. theta energy: -80.103 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: 6, replica: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1116.924531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.924531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.924531 (E_RNA) where: Base-Base interactions energy: -662.274 where: short stacking energy: -338.545 Base-Backbone interact. energy: -1.826 local terms energy: -452.824704 where: bonds (distance) C4'-P energy: -103.257 bonds (distance) P-C4' energy: -98.063 flat angles C4'-P-C4' energy: -120.559 flat angles P-C4'-P energy: -65.994 tors. eta vs tors. theta energy: -64.952 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: 7, replica: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -865.681936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.681936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.681936 (E_RNA) where: Base-Base interactions energy: -444.867 where: short stacking energy: -265.722 Base-Backbone interact. energy: -1.557 local terms energy: -419.257805 where: bonds (distance) C4'-P energy: -117.940 bonds (distance) P-C4' energy: -100.029 flat angles C4'-P-C4' energy: -109.730 flat angles P-C4'-P energy: -66.456 tors. eta vs tors. theta energy: -25.103 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: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -716.701586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.701586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.701586 (E_RNA) where: Base-Base interactions energy: -339.170 where: short stacking energy: -210.653 Base-Backbone interact. energy: -1.822 local terms energy: -375.709654 where: bonds (distance) C4'-P energy: -98.931 bonds (distance) P-C4' energy: -103.038 flat angles C4'-P-C4' energy: -101.501 flat angles P-C4'-P energy: -71.100 tors. eta vs tors. theta energy: -1.141 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: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -738.950469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.950469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.950469 (E_RNA) where: Base-Base interactions energy: -404.106 where: short stacking energy: -239.653 Base-Backbone interact. energy: 7.417 local terms energy: -342.261301 where: bonds (distance) C4'-P energy: -91.528 bonds (distance) P-C4' energy: -91.058 flat angles C4'-P-C4' energy: -106.291 flat angles P-C4'-P energy: -48.539 tors. eta vs tors. theta energy: -4.845 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: 10, replica: 2 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -505.367020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.367020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.367020 (E_RNA) where: Base-Base interactions energy: -215.547 where: short stacking energy: -155.371 Base-Backbone interact. energy: -5.447 local terms energy: -284.373643 where: bonds (distance) C4'-P energy: -73.441 bonds (distance) P-C4' energy: -119.458 flat angles C4'-P-C4' energy: -77.937 flat angles P-C4'-P energy: -40.595 tors. eta vs tors. theta energy: 27.058 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: 1, replica: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1919.977862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.977862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.977862 (E_RNA) where: Base-Base interactions energy: -1268.579 where: short stacking energy: -578.545 Base-Backbone interact. energy: -2.122 local terms energy: -649.276194 where: bonds (distance) C4'-P energy: -121.968 bonds (distance) P-C4' energy: -131.306 flat angles C4'-P-C4' energy: -138.995 flat angles P-C4'-P energy: -91.624 tors. eta vs tors. theta energy: -165.383 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: 2, replica: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1808.800497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.800497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.800497 (E_RNA) where: Base-Base interactions energy: -1183.933 where: short stacking energy: -546.163 Base-Backbone interact. energy: 2.008 local terms energy: -626.876010 where: bonds (distance) C4'-P energy: -128.059 bonds (distance) P-C4' energy: -111.964 flat angles C4'-P-C4' energy: -144.600 flat angles P-C4'-P energy: -91.244 tors. eta vs tors. theta energy: -151.009 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: 3, replica: 9 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1713.385284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.385284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.385284 (E_RNA) where: Base-Base interactions energy: -1141.406 where: short stacking energy: -482.496 Base-Backbone interact. energy: -1.763 local terms energy: -570.216232 where: bonds (distance) C4'-P energy: -124.970 bonds (distance) P-C4' energy: -120.671 flat angles C4'-P-C4' energy: -128.528 flat angles P-C4'-P energy: -74.878 tors. eta vs tors. theta energy: -121.169 Dist. restrs. and SS energy: 0.000 (S_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: 32 Temperature: 1.050000 Total energy: -1518.779048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.779048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.779048 (E_RNA) where: Base-Base interactions energy: -989.411 where: short stacking energy: -459.484 Base-Backbone interact. energy: -2.004 local terms energy: -527.364179 where: bonds (distance) C4'-P energy: -100.618 bonds (distance) P-C4' energy: -126.706 flat angles C4'-P-C4' energy: -124.693 flat angles P-C4'-P energy: -72.385 tors. eta vs tors. theta energy: -102.962 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: 5, replica: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1389.024602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.024602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.024602 (E_RNA) where: Base-Base interactions energy: -910.340 where: short stacking energy: -395.879 Base-Backbone interact. energy: -2.508 local terms energy: -476.176226 where: bonds (distance) C4'-P energy: -100.939 bonds (distance) P-C4' energy: -115.291 flat angles C4'-P-C4' energy: -106.546 flat angles P-C4'-P energy: -73.602 tors. eta vs tors. theta energy: -79.798 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: 6, replica: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1165.910067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.910067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.910067 (E_RNA) where: Base-Base interactions energy: -688.123 where: short stacking energy: -350.755 Base-Backbone interact. energy: -1.103 local terms energy: -476.684170 where: bonds (distance) C4'-P energy: -101.370 bonds (distance) P-C4' energy: -106.970 flat angles C4'-P-C4' energy: -118.339 flat angles P-C4'-P energy: -74.778 tors. eta vs tors. theta energy: -75.227 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: 7, replica: 3 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -876.313411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.313411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.313411 (E_RNA) where: Base-Base interactions energy: -485.635 where: short stacking energy: -256.400 Base-Backbone interact. energy: -2.528 local terms energy: -388.150706 where: bonds (distance) C4'-P energy: -98.781 bonds (distance) P-C4' energy: -99.696 flat angles C4'-P-C4' energy: -88.262 flat angles P-C4'-P energy: -64.875 tors. eta vs tors. theta energy: -36.537 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: 6 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -728.634855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.634855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.634855 (E_RNA) where: Base-Base interactions energy: -357.709 where: short stacking energy: -223.366 Base-Backbone interact. energy: -0.423 local terms energy: -370.502220 where: bonds (distance) C4'-P energy: -113.780 bonds (distance) P-C4' energy: -109.868 flat angles C4'-P-C4' energy: -89.781 flat angles P-C4'-P energy: -51.173 tors. eta vs tors. theta energy: -5.900 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: 32 Temperature: 1.300000 Total energy: -718.319207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.319207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.319207 (E_RNA) where: Base-Base interactions energy: -370.313 where: short stacking energy: -213.934 Base-Backbone interact. energy: 0.083 local terms energy: -348.089358 where: bonds (distance) C4'-P energy: -97.803 bonds (distance) P-C4' energy: -112.107 flat angles C4'-P-C4' energy: -86.685 flat angles P-C4'-P energy: -49.495 tors. eta vs tors. theta energy: -1.999 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: 10, replica: 2 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -539.057655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.057655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.057655 (E_RNA) where: Base-Base interactions energy: -211.715 where: short stacking energy: -150.674 Base-Backbone interact. energy: -1.688 local terms energy: -325.655117 where: bonds (distance) C4'-P energy: -93.733 bonds (distance) P-C4' energy: -103.906 flat angles C4'-P-C4' energy: -83.188 flat angles P-C4'-P energy: -62.093 tors. eta vs tors. theta energy: 17.264 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: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1915.958802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.958802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.958802 (E_RNA) where: Base-Base interactions energy: -1285.232 where: short stacking energy: -566.091 Base-Backbone interact. energy: -2.158 local terms energy: -628.569033 where: bonds (distance) C4'-P energy: -130.127 bonds (distance) P-C4' energy: -113.039 flat angles C4'-P-C4' energy: -145.106 flat angles P-C4'-P energy: -77.472 tors. eta vs tors. theta energy: -162.825 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: 2, replica: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1817.131648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.131648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.131648 (E_RNA) where: Base-Base interactions energy: -1200.358 where: short stacking energy: -532.967 Base-Backbone interact. energy: -2.650 local terms energy: -614.123284 where: bonds (distance) C4'-P energy: -127.225 bonds (distance) P-C4' energy: -129.512 flat angles C4'-P-C4' energy: -124.375 flat angles P-C4'-P energy: -85.543 tors. eta vs tors. theta energy: -147.468 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: 3, replica: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1728.368312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.368312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.368312 (E_RNA) where: Base-Base interactions energy: -1130.355 where: short stacking energy: -500.231 Base-Backbone interact. energy: 2.180 local terms energy: -600.192978 where: bonds (distance) C4'-P energy: -104.589 bonds (distance) P-C4' energy: -125.208 flat angles C4'-P-C4' energy: -131.770 flat angles P-C4'-P energy: -94.440 tors. eta vs tors. theta energy: -144.186 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: 10 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1454.138834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.138834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.138834 (E_RNA) where: Base-Base interactions energy: -922.188 where: short stacking energy: -446.515 Base-Backbone interact. energy: 1.712 local terms energy: -533.663104 where: bonds (distance) C4'-P energy: -110.409 bonds (distance) P-C4' energy: -116.308 flat angles C4'-P-C4' energy: -125.923 flat angles P-C4'-P energy: -80.577 tors. eta vs tors. theta energy: -100.446 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: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1418.320884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.320884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.320884 (E_RNA) where: Base-Base interactions energy: -940.626 where: short stacking energy: -393.589 Base-Backbone interact. energy: -4.914 local terms energy: -472.780265 where: bonds (distance) C4'-P energy: -84.960 bonds (distance) P-C4' energy: -113.473 flat angles C4'-P-C4' energy: -111.721 flat angles P-C4'-P energy: -71.311 tors. eta vs tors. theta energy: -91.316 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: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1166.509811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.509811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.509811 (E_RNA) where: Base-Base interactions energy: -705.549 where: short stacking energy: -328.177 Base-Backbone interact. energy: -2.400 local terms energy: -458.560222 where: bonds (distance) C4'-P energy: -103.609 bonds (distance) P-C4' energy: -105.817 flat angles C4'-P-C4' energy: -110.565 flat angles P-C4'-P energy: -78.831 tors. eta vs tors. theta energy: -59.737 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: 3 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -914.911663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.911663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.911663 (E_RNA) where: Base-Base interactions energy: -512.328 where: short stacking energy: -268.663 Base-Backbone interact. energy: 0.624 local terms energy: -403.207865 where: bonds (distance) C4'-P energy: -102.278 bonds (distance) P-C4' energy: -126.681 flat angles C4'-P-C4' energy: -84.214 flat angles P-C4'-P energy: -58.113 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: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -786.838761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.838761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.838761 (E_RNA) where: Base-Base interactions energy: -391.349 where: short stacking energy: -213.981 Base-Backbone interact. energy: 2.356 local terms energy: -397.844986 where: bonds (distance) C4'-P energy: -111.434 bonds (distance) P-C4' energy: -110.004 flat angles C4'-P-C4' energy: -87.497 flat angles P-C4'-P energy: -74.118 tors. eta vs tors. theta energy: -14.792 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: 9, replica: 6 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -679.055067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.055067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.055067 (E_RNA) where: Base-Base interactions energy: -327.968 where: short stacking energy: -185.933 Base-Backbone interact. energy: 0.860 local terms energy: -351.947188 where: bonds (distance) C4'-P energy: -91.750 bonds (distance) P-C4' energy: -103.494 flat angles C4'-P-C4' energy: -94.118 flat angles P-C4'-P energy: -54.512 tors. eta vs tors. theta energy: -8.073 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: 2 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -521.971978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.971978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.971978 (E_RNA) where: Base-Base interactions energy: -232.703 where: short stacking energy: -143.554 Base-Backbone interact. energy: 4.545 local terms energy: -293.813733 where: bonds (distance) C4'-P energy: -101.445 bonds (distance) P-C4' energy: -95.695 flat angles C4'-P-C4' energy: -61.695 flat angles P-C4'-P energy: -49.402 tors. eta vs tors. theta energy: 14.423 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: 34 Temperature: 0.900000 Total energy: -1920.925789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.925789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.925789 (E_RNA) where: Base-Base interactions energy: -1260.964 where: short stacking energy: -567.819 Base-Backbone interact. energy: -2.624 local terms energy: -657.338224 where: bonds (distance) C4'-P energy: -111.368 bonds (distance) P-C4' energy: -140.048 flat angles C4'-P-C4' energy: -142.760 flat angles P-C4'-P energy: -102.283 tors. eta vs tors. theta energy: -160.880 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: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1839.095516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.095516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.095516 (E_RNA) where: Base-Base interactions energy: -1219.738 where: short stacking energy: -567.670 Base-Backbone interact. energy: -2.749 local terms energy: -616.608547 where: bonds (distance) C4'-P energy: -118.188 bonds (distance) P-C4' energy: -124.841 flat angles C4'-P-C4' energy: -136.925 flat angles P-C4'-P energy: -76.654 tors. eta vs tors. theta energy: -160.001 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: 3, replica: 9 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1727.910342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.910342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.910342 (E_RNA) where: Base-Base interactions energy: -1133.485 where: short stacking energy: -526.254 Base-Backbone interact. energy: -2.517 local terms energy: -591.908177 where: bonds (distance) C4'-P energy: -115.091 bonds (distance) P-C4' energy: -111.684 flat angles C4'-P-C4' energy: -123.733 flat angles P-C4'-P energy: -100.242 tors. eta vs tors. theta energy: -141.159 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: 10 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1436.885367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.885367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.885367 (E_RNA) where: Base-Base interactions energy: -899.999 where: short stacking energy: -413.990 Base-Backbone interact. energy: -2.022 local terms energy: -534.863980 where: bonds (distance) C4'-P energy: -119.145 bonds (distance) P-C4' energy: -114.944 flat angles C4'-P-C4' energy: -124.743 flat angles P-C4'-P energy: -78.821 tors. eta vs tors. theta energy: -97.212 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: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1442.199343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.199343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.199343 (E_RNA) where: Base-Base interactions energy: -919.916 where: short stacking energy: -402.606 Base-Backbone interact. energy: -4.088 local terms energy: -518.196111 where: bonds (distance) C4'-P energy: -109.709 bonds (distance) P-C4' energy: -115.467 flat angles C4'-P-C4' energy: -117.146 flat angles P-C4'-P energy: -82.267 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: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1145.606789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.606789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.606789 (E_RNA) where: Base-Base interactions energy: -662.383 where: short stacking energy: -313.527 Base-Backbone interact. energy: -2.088 local terms energy: -481.136106 where: bonds (distance) C4'-P energy: -113.615 bonds (distance) P-C4' energy: -116.682 flat angles C4'-P-C4' energy: -106.643 flat angles P-C4'-P energy: -82.994 tors. eta vs tors. theta energy: -61.201 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: 3 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -936.681506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.681506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.681506 (E_RNA) where: Base-Base interactions energy: -509.275 where: short stacking energy: -254.063 Base-Backbone interact. energy: 1.000 local terms energy: -428.407004 where: bonds (distance) C4'-P energy: -109.785 bonds (distance) P-C4' energy: -111.510 flat angles C4'-P-C4' energy: -100.605 flat angles P-C4'-P energy: -65.102 tors. eta vs tors. theta energy: -41.404 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: 34 Temperature: 1.250000 Total energy: -764.127752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.127752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.127752 (E_RNA) where: Base-Base interactions energy: -361.405 where: short stacking energy: -217.983 Base-Backbone interact. energy: 4.488 local terms energy: -407.210727 where: bonds (distance) C4'-P energy: -121.668 bonds (distance) P-C4' energy: -116.957 flat angles C4'-P-C4' energy: -108.687 flat angles P-C4'-P energy: -52.883 tors. eta vs tors. theta energy: -7.015 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: 9, replica: 6 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -785.156622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.156622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.156622 (E_RNA) where: Base-Base interactions energy: -429.159 where: short stacking energy: -244.792 Base-Backbone interact. energy: -1.815 local terms energy: -354.182858 where: bonds (distance) C4'-P energy: -90.773 bonds (distance) P-C4' energy: -99.313 flat angles C4'-P-C4' energy: -75.552 flat angles P-C4'-P energy: -59.921 tors. eta vs tors. theta energy: -28.624 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: 2 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -540.848004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.848004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.848004 (E_RNA) where: Base-Base interactions energy: -191.235 where: short stacking energy: -135.747 Base-Backbone interact. energy: -0.820 local terms energy: -348.792765 where: bonds (distance) C4'-P energy: -101.474 bonds (distance) P-C4' energy: -118.618 flat angles C4'-P-C4' energy: -98.724 flat angles P-C4'-P energy: -47.455 tors. eta vs tors. theta energy: 17.478 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: 1, replica: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1899.631981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.631981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.631981 (E_RNA) where: Base-Base interactions energy: -1285.867 where: short stacking energy: -542.554 Base-Backbone interact. energy: -4.969 local terms energy: -608.796310 where: bonds (distance) C4'-P energy: -113.907 bonds (distance) P-C4' energy: -135.845 flat angles C4'-P-C4' energy: -130.042 flat angles P-C4'-P energy: -91.888 tors. eta vs tors. theta energy: -137.114 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: 2, replica: 7 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1827.528436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.528436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.528436 (E_RNA) where: Base-Base interactions energy: -1184.732 where: short stacking energy: -558.916 Base-Backbone interact. energy: -1.669 local terms energy: -641.126813 where: bonds (distance) C4'-P energy: -127.082 bonds (distance) P-C4' energy: -123.389 flat angles C4'-P-C4' energy: -143.101 flat angles P-C4'-P energy: -82.826 tors. eta vs tors. theta energy: -164.729 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: 3, replica: 9 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1766.848899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.848899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.848899 (E_RNA) where: Base-Base interactions energy: -1176.083 where: short stacking energy: -518.535 Base-Backbone interact. energy: 0.833 local terms energy: -591.598281 where: bonds (distance) C4'-P energy: -109.605 bonds (distance) P-C4' energy: -113.682 flat angles C4'-P-C4' energy: -135.109 flat angles P-C4'-P energy: -87.945 tors. eta vs tors. theta energy: -145.257 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: 4, replica: 10 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1456.666691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.666691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.666691 (E_RNA) where: Base-Base interactions energy: -959.078 where: short stacking energy: -436.234 Base-Backbone interact. energy: -0.704 local terms energy: -496.883863 where: bonds (distance) C4'-P energy: -92.244 bonds (distance) P-C4' energy: -118.151 flat angles C4'-P-C4' energy: -116.855 flat angles P-C4'-P energy: -86.436 tors. eta vs tors. theta energy: -83.198 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: 5, replica: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1467.406270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.406270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.406270 (E_RNA) where: Base-Base interactions energy: -965.074 where: short stacking energy: -421.509 Base-Backbone interact. energy: -1.767 local terms energy: -500.564521 where: bonds (distance) C4'-P energy: -99.852 bonds (distance) P-C4' energy: -110.221 flat angles C4'-P-C4' energy: -118.047 flat angles P-C4'-P energy: -86.317 tors. eta vs tors. theta energy: -86.127 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: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1147.378426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.378426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.378426 (E_RNA) where: Base-Base interactions energy: -671.660 where: short stacking energy: -326.880 Base-Backbone interact. energy: 0.708 local terms energy: -476.426291 where: bonds (distance) C4'-P energy: -115.553 bonds (distance) P-C4' energy: -107.314 flat angles C4'-P-C4' energy: -102.309 flat angles P-C4'-P energy: -81.193 tors. eta vs tors. theta energy: -70.057 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: 7, replica: 3 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -940.851109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.851109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.851109 (E_RNA) where: Base-Base interactions energy: -505.081 where: short stacking energy: -272.086 Base-Backbone interact. energy: 3.400 local terms energy: -439.169563 where: bonds (distance) C4'-P energy: -86.532 bonds (distance) P-C4' energy: -110.381 flat angles C4'-P-C4' energy: -124.371 flat angles P-C4'-P energy: -62.164 tors. eta vs tors. theta energy: -55.720 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: 6 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -819.751357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.751357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.751357 (E_RNA) where: Base-Base interactions energy: -431.277 where: short stacking energy: -242.740 Base-Backbone interact. energy: 0.617 local terms energy: -389.091145 where: bonds (distance) C4'-P energy: -99.629 bonds (distance) P-C4' energy: -94.642 flat angles C4'-P-C4' energy: -109.465 flat angles P-C4'-P energy: -43.312 tors. eta vs tors. theta energy: -42.043 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: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -758.355231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.355231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.355231 (E_RNA) where: Base-Base interactions energy: -383.079 where: short stacking energy: -219.959 Base-Backbone interact. energy: 1.654 local terms energy: -376.930221 where: bonds (distance) C4'-P energy: -90.742 bonds (distance) P-C4' energy: -98.388 flat angles C4'-P-C4' energy: -104.606 flat angles P-C4'-P energy: -57.222 tors. eta vs tors. theta energy: -25.971 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: 10, replica: 2 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -501.357572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.357572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.357572 (E_RNA) where: Base-Base interactions energy: -170.427 where: short stacking energy: -150.490 Base-Backbone interact. energy: -0.659 local terms energy: -330.271260 where: bonds (distance) C4'-P energy: -100.677 bonds (distance) P-C4' energy: -119.907 flat angles C4'-P-C4' energy: -91.655 flat angles P-C4'-P energy: -33.433 tors. eta vs tors. theta energy: 15.400 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: 1, replica: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1894.964336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.964336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.964336 (E_RNA) where: Base-Base interactions energy: -1265.741 where: short stacking energy: -586.949 Base-Backbone interact. energy: 1.139 local terms energy: -630.362297 where: bonds (distance) C4'-P energy: -128.851 bonds (distance) P-C4' energy: -129.012 flat angles C4'-P-C4' energy: -130.150 flat angles P-C4'-P energy: -86.490 tors. eta vs tors. theta energy: -155.859 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: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1880.071663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.071663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.071663 (E_RNA) where: Base-Base interactions energy: -1272.659 where: short stacking energy: -504.223 Base-Backbone interact. energy: 0.533 local terms energy: -607.946384 where: bonds (distance) C4'-P energy: -125.248 bonds (distance) P-C4' energy: -129.099 flat angles C4'-P-C4' energy: -129.232 flat angles P-C4'-P energy: -82.859 tors. eta vs tors. theta energy: -141.508 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: 9 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1822.859416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.859416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.859416 (E_RNA) where: Base-Base interactions energy: -1204.489 where: short stacking energy: -546.024 Base-Backbone interact. energy: -3.497 local terms energy: -614.873220 where: bonds (distance) C4'-P energy: -120.372 bonds (distance) P-C4' energy: -125.386 flat angles C4'-P-C4' energy: -128.868 flat angles P-C4'-P energy: -77.017 tors. eta vs tors. theta energy: -163.229 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: 10 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1435.615482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.615482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.615482 (E_RNA) where: Base-Base interactions energy: -933.519 where: short stacking energy: -395.402 Base-Backbone interact. energy: -1.698 local terms energy: -500.398524 where: bonds (distance) C4'-P energy: -113.845 bonds (distance) P-C4' energy: -109.789 flat angles C4'-P-C4' energy: -122.482 flat angles P-C4'-P energy: -75.045 tors. eta vs tors. theta energy: -79.238 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: 36 Temperature: 1.100000 Total energy: -1473.865797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.865797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.865797 (E_RNA) where: Base-Base interactions energy: -960.338 where: short stacking energy: -441.516 Base-Backbone interact. energy: 0.864 local terms energy: -514.392363 where: bonds (distance) C4'-P energy: -103.764 bonds (distance) P-C4' energy: -112.984 flat angles C4'-P-C4' energy: -123.435 flat angles P-C4'-P energy: -77.086 tors. eta vs tors. theta energy: -97.124 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: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1187.604611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.604611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.604611 (E_RNA) where: Base-Base interactions energy: -726.311 where: short stacking energy: -362.968 Base-Backbone interact. energy: -0.962 local terms energy: -460.332004 where: bonds (distance) C4'-P energy: -124.163 bonds (distance) P-C4' energy: -107.786 flat angles C4'-P-C4' energy: -111.655 flat angles P-C4'-P energy: -50.692 tors. eta vs tors. theta energy: -66.036 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: 7, replica: 3 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -925.156928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.156928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.156928 (E_RNA) where: Base-Base interactions energy: -482.234 where: short stacking energy: -236.196 Base-Backbone interact. energy: -2.383 local terms energy: -440.539833 where: bonds (distance) C4'-P energy: -98.736 bonds (distance) P-C4' energy: -117.974 flat angles C4'-P-C4' energy: -115.761 flat angles P-C4'-P energy: -74.717 tors. eta vs tors. theta energy: -33.352 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: 8, replica: 6 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -845.858593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.858593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.858593 (E_RNA) where: Base-Base interactions energy: -461.143 where: short stacking energy: -235.957 Base-Backbone interact. energy: -2.557 local terms energy: -382.158125 where: bonds (distance) C4'-P energy: -91.533 bonds (distance) P-C4' energy: -109.849 flat angles C4'-P-C4' energy: -107.960 flat angles P-C4'-P energy: -46.850 tors. eta vs tors. theta energy: -25.966 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: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -706.990563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.990563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.990563 (E_RNA) where: Base-Base interactions energy: -368.359 where: short stacking energy: -205.227 Base-Backbone interact. energy: -0.322 local terms energy: -338.310252 where: bonds (distance) C4'-P energy: -85.189 bonds (distance) P-C4' energy: -107.488 flat angles C4'-P-C4' energy: -93.178 flat angles P-C4'-P energy: -47.179 tors. eta vs tors. theta energy: -5.276 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: 2 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -478.889936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.889936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.889936 (E_RNA) where: Base-Base interactions energy: -134.601 where: short stacking energy: -118.300 Base-Backbone interact. energy: 1.048 local terms energy: -345.337651 where: bonds (distance) C4'-P energy: -108.607 bonds (distance) P-C4' energy: -111.370 flat angles C4'-P-C4' energy: -82.308 flat angles P-C4'-P energy: -62.904 tors. eta vs tors. theta energy: 19.852 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: 1, replica: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1864.043129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.043129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.043129 (E_RNA) where: Base-Base interactions energy: -1207.290 where: short stacking energy: -563.604 Base-Backbone interact. energy: -0.948 local terms energy: -655.804685 where: bonds (distance) C4'-P energy: -122.612 bonds (distance) P-C4' energy: -141.244 flat angles C4'-P-C4' energy: -139.603 flat angles P-C4'-P energy: -91.582 tors. eta vs tors. theta energy: -160.764 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: 2, replica: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1879.180131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.180131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.180131 (E_RNA) where: Base-Base interactions energy: -1274.795 where: short stacking energy: -520.908 Base-Backbone interact. energy: -1.910 local terms energy: -602.474937 where: bonds (distance) C4'-P energy: -115.745 bonds (distance) P-C4' energy: -132.881 flat angles C4'-P-C4' energy: -136.359 flat angles P-C4'-P energy: -67.586 tors. eta vs tors. theta energy: -149.904 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: 9 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1832.878933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.878933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.878933 (E_RNA) where: Base-Base interactions energy: -1221.243 where: short stacking energy: -538.759 Base-Backbone interact. energy: -3.336 local terms energy: -608.299450 where: bonds (distance) C4'-P energy: -130.718 bonds (distance) P-C4' energy: -123.772 flat angles C4'-P-C4' energy: -114.954 flat angles P-C4'-P energy: -84.816 tors. eta vs tors. theta energy: -154.038 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: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1558.471365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.471365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.471365 (E_RNA) where: Base-Base interactions energy: -1018.655 where: short stacking energy: -472.927 Base-Backbone interact. energy: -0.757 local terms energy: -539.060226 where: bonds (distance) C4'-P energy: -100.370 bonds (distance) P-C4' energy: -120.199 flat angles C4'-P-C4' energy: -122.800 flat angles P-C4'-P energy: -83.470 tors. eta vs tors. theta energy: -112.222 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: 5, replica: 10 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1435.996020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.996020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.996020 (E_RNA) where: Base-Base interactions energy: -942.903 where: short stacking energy: -402.425 Base-Backbone interact. energy: -3.271 local terms energy: -489.821432 where: bonds (distance) C4'-P energy: -92.376 bonds (distance) P-C4' energy: -113.840 flat angles C4'-P-C4' energy: -115.668 flat angles P-C4'-P energy: -75.779 tors. eta vs tors. theta energy: -92.159 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: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1203.298316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.298316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.298316 (E_RNA) where: Base-Base interactions energy: -708.837 where: short stacking energy: -349.312 Base-Backbone interact. energy: -2.003 local terms energy: -492.458147 where: bonds (distance) C4'-P energy: -119.162 bonds (distance) P-C4' energy: -116.343 flat angles C4'-P-C4' energy: -92.990 flat angles P-C4'-P energy: -71.353 tors. eta vs tors. theta energy: -92.610 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: 7, replica: 3 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1026.086296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.086296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.086296 (E_RNA) where: Base-Base interactions energy: -570.927 where: short stacking energy: -310.759 Base-Backbone interact. energy: 5.247 local terms energy: -460.406743 where: bonds (distance) C4'-P energy: -121.115 bonds (distance) P-C4' energy: -104.817 flat angles C4'-P-C4' energy: -96.986 flat angles P-C4'-P energy: -70.544 tors. eta vs tors. theta energy: -66.946 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: 8, replica: 6 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -879.652115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.652115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.652115 (E_RNA) where: Base-Base interactions energy: -510.054 where: short stacking energy: -261.577 Base-Backbone interact. energy: -3.794 local terms energy: -365.804006 where: bonds (distance) C4'-P energy: -92.245 bonds (distance) P-C4' energy: -104.240 flat angles C4'-P-C4' energy: -80.799 flat angles P-C4'-P energy: -59.225 tors. eta vs tors. theta energy: -29.295 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: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -704.326680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.326680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.326680 (E_RNA) where: Base-Base interactions energy: -347.821 where: short stacking energy: -191.871 Base-Backbone interact. energy: -1.110 local terms energy: -355.395521 where: bonds (distance) C4'-P energy: -87.389 bonds (distance) P-C4' energy: -118.427 flat angles C4'-P-C4' energy: -99.818 flat angles P-C4'-P energy: -40.838 tors. eta vs tors. theta energy: -8.923 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: 2 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -484.395608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.395608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.395608 (E_RNA) where: Base-Base interactions energy: -171.852 where: short stacking energy: -150.384 Base-Backbone interact. energy: 3.576 local terms energy: -316.119526 where: bonds (distance) C4'-P energy: -97.922 bonds (distance) P-C4' energy: -93.822 flat angles C4'-P-C4' energy: -84.267 flat angles P-C4'-P energy: -51.219 tors. eta vs tors. theta energy: 11.110 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: 1, replica: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1843.787354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.787354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.787354 (E_RNA) where: Base-Base interactions energy: -1224.719 where: short stacking energy: -536.764 Base-Backbone interact. energy: 0.976 local terms energy: -620.044362 where: bonds (distance) C4'-P energy: -133.806 bonds (distance) P-C4' energy: -105.881 flat angles C4'-P-C4' energy: -138.110 flat angles P-C4'-P energy: -93.891 tors. eta vs tors. theta energy: -148.356 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: 2, replica: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1899.582460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.582460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.582460 (E_RNA) where: Base-Base interactions energy: -1301.546 where: short stacking energy: -555.451 Base-Backbone interact. energy: -4.609 local terms energy: -593.427600 where: bonds (distance) C4'-P energy: -114.936 bonds (distance) P-C4' energy: -114.177 flat angles C4'-P-C4' energy: -131.722 flat angles P-C4'-P energy: -81.386 tors. eta vs tors. theta energy: -151.207 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: 3, replica: 9 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1791.752870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.752870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.752870 (E_RNA) where: Base-Base interactions energy: -1195.156 where: short stacking energy: -513.872 Base-Backbone interact. energy: -0.475 local terms energy: -596.121854 where: bonds (distance) C4'-P energy: -119.741 bonds (distance) P-C4' energy: -124.509 flat angles C4'-P-C4' energy: -126.640 flat angles P-C4'-P energy: -88.560 tors. eta vs tors. theta energy: -136.672 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: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1588.764203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.764203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.764203 (E_RNA) where: Base-Base interactions energy: -1036.493 where: short stacking energy: -460.767 Base-Backbone interact. energy: -2.828 local terms energy: -549.443248 where: bonds (distance) C4'-P energy: -117.006 bonds (distance) P-C4' energy: -120.815 flat angles C4'-P-C4' energy: -111.549 flat angles P-C4'-P energy: -93.534 tors. eta vs tors. theta energy: -106.540 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: 10 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1434.702487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.702487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.702487 (E_RNA) where: Base-Base interactions energy: -932.716 where: short stacking energy: -402.651 Base-Backbone interact. energy: -3.563 local terms energy: -498.423608 where: bonds (distance) C4'-P energy: -98.225 bonds (distance) P-C4' energy: -124.210 flat angles C4'-P-C4' energy: -126.052 flat angles P-C4'-P energy: -59.133 tors. eta vs tors. theta energy: -90.804 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: 38 Temperature: 1.150000 Total energy: -1251.398669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.398669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.398669 (E_RNA) where: Base-Base interactions energy: -748.051 where: short stacking energy: -345.940 Base-Backbone interact. energy: -2.551 local terms energy: -500.796288 where: bonds (distance) C4'-P energy: -120.068 bonds (distance) P-C4' energy: -115.884 flat angles C4'-P-C4' energy: -108.519 flat angles P-C4'-P energy: -73.266 tors. eta vs tors. theta energy: -83.059 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: 7, replica: 3 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1025.507632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.507632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.507632 (E_RNA) where: Base-Base interactions energy: -575.378 where: short stacking energy: -302.136 Base-Backbone interact. energy: 0.527 local terms energy: -450.656559 where: bonds (distance) C4'-P energy: -100.553 bonds (distance) P-C4' energy: -109.138 flat angles C4'-P-C4' energy: -114.863 flat angles P-C4'-P energy: -59.125 tors. eta vs tors. theta energy: -66.978 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: 6 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -956.365444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.365444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.365444 (E_RNA) where: Base-Base interactions energy: -530.293 where: short stacking energy: -264.806 Base-Backbone interact. energy: 0.599 local terms energy: -426.671727 where: bonds (distance) C4'-P energy: -116.341 bonds (distance) P-C4' energy: -121.672 flat angles C4'-P-C4' energy: -98.568 flat angles P-C4'-P energy: -54.991 tors. eta vs tors. theta energy: -35.100 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: 9, replica: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -752.763938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.763938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.763938 (E_RNA) where: Base-Base interactions energy: -399.600 where: short stacking energy: -246.445 Base-Backbone interact. energy: 0.237 local terms energy: -353.400533 where: bonds (distance) C4'-P energy: -106.786 bonds (distance) P-C4' energy: -94.954 flat angles C4'-P-C4' energy: -85.946 flat angles P-C4'-P energy: -52.435 tors. eta vs tors. theta energy: -13.279 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: 10, replica: 2 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -501.228659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.228659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.228659 (E_RNA) where: Base-Base interactions energy: -195.627 where: short stacking energy: -174.766 Base-Backbone interact. energy: 2.817 local terms energy: -308.418565 where: bonds (distance) C4'-P energy: -82.414 bonds (distance) P-C4' energy: -101.413 flat angles C4'-P-C4' energy: -90.967 flat angles P-C4'-P energy: -48.529 tors. eta vs tors. theta energy: 14.904 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: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1891.427290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.427290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.427290 (E_RNA) where: Base-Base interactions energy: -1240.213 where: short stacking energy: -579.745 Base-Backbone interact. energy: -1.794 local terms energy: -649.420207 where: bonds (distance) C4'-P energy: -129.829 bonds (distance) P-C4' energy: -125.254 flat angles C4'-P-C4' energy: -139.211 flat angles P-C4'-P energy: -93.174 tors. eta vs tors. theta energy: -161.952 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: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1870.070969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.070969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.070969 (E_RNA) where: Base-Base interactions energy: -1249.946 where: short stacking energy: -531.540 Base-Backbone interact. energy: -1.659 local terms energy: -618.465800 where: bonds (distance) C4'-P energy: -118.865 bonds (distance) P-C4' energy: -133.671 flat angles C4'-P-C4' energy: -136.780 flat angles P-C4'-P energy: -85.895 tors. eta vs tors. theta energy: -143.254 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: 9 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1823.391279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.391279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.391279 (E_RNA) where: Base-Base interactions energy: -1228.414 where: short stacking energy: -563.001 Base-Backbone interact. energy: -4.943 local terms energy: -590.033744 where: bonds (distance) C4'-P energy: -117.244 bonds (distance) P-C4' energy: -126.405 flat angles C4'-P-C4' energy: -125.021 flat angles P-C4'-P energy: -77.390 tors. eta vs tors. theta energy: -143.974 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: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1565.188617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.188617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.188617 (E_RNA) where: Base-Base interactions energy: -1035.858 where: short stacking energy: -449.394 Base-Backbone interact. energy: 6.134 local terms energy: -535.465197 where: bonds (distance) C4'-P energy: -115.538 bonds (distance) P-C4' energy: -121.626 flat angles C4'-P-C4' energy: -123.319 flat angles P-C4'-P energy: -67.744 tors. eta vs tors. theta energy: -107.239 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: 5, replica: 10 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1362.646124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.646124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.646124 (E_RNA) where: Base-Base interactions energy: -868.392 where: short stacking energy: -441.595 Base-Backbone interact. energy: -0.271 local terms energy: -493.983087 where: bonds (distance) C4'-P energy: -107.602 bonds (distance) P-C4' energy: -117.879 flat angles C4'-P-C4' energy: -112.409 flat angles P-C4'-P energy: -62.412 tors. eta vs tors. theta energy: -93.681 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: 6, replica: 1 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1287.504419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.504419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.504419 (E_RNA) where: Base-Base interactions energy: -805.351 where: short stacking energy: -367.259 Base-Backbone interact. energy: -2.336 local terms energy: -479.816563 where: bonds (distance) C4'-P energy: -105.421 bonds (distance) P-C4' energy: -105.463 flat angles C4'-P-C4' energy: -110.246 flat angles P-C4'-P energy: -80.565 tors. eta vs tors. theta energy: -78.122 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: 3 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1018.698326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.698326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.698326 (E_RNA) where: Base-Base interactions energy: -564.740 where: short stacking energy: -309.311 Base-Backbone interact. energy: -0.126 local terms energy: -453.833183 where: bonds (distance) C4'-P energy: -110.502 bonds (distance) P-C4' energy: -118.936 flat angles C4'-P-C4' energy: -98.313 flat angles P-C4'-P energy: -62.135 tors. eta vs tors. theta energy: -63.947 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: 6 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -926.590770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.590770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.590770 (E_RNA) where: Base-Base interactions energy: -522.642 where: short stacking energy: -262.530 Base-Backbone interact. energy: -1.049 local terms energy: -402.899685 where: bonds (distance) C4'-P energy: -106.956 bonds (distance) P-C4' energy: -101.353 flat angles C4'-P-C4' energy: -101.100 flat angles P-C4'-P energy: -77.021 tors. eta vs tors. theta energy: -16.470 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: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -735.287798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.287798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.287798 (E_RNA) where: Base-Base interactions energy: -386.406 where: short stacking energy: -214.458 Base-Backbone interact. energy: 2.805 local terms energy: -351.687436 where: bonds (distance) C4'-P energy: -97.469 bonds (distance) P-C4' energy: -86.330 flat angles C4'-P-C4' energy: -101.047 flat angles P-C4'-P energy: -58.202 tors. eta vs tors. theta energy: -8.639 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: 2 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -496.754148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.754148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.754148 (E_RNA) where: Base-Base interactions energy: -160.099 where: short stacking energy: -119.598 Base-Backbone interact. energy: -1.557 local terms energy: -335.097524 where: bonds (distance) C4'-P energy: -112.112 bonds (distance) P-C4' energy: -107.738 flat angles C4'-P-C4' energy: -86.897 flat angles P-C4'-P energy: -50.033 tors. eta vs tors. theta energy: 21.683 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: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1925.272046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.272046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.272046 (E_RNA) where: Base-Base interactions energy: -1287.792 where: short stacking energy: -549.211 Base-Backbone interact. energy: -3.337 local terms energy: -634.142834 where: bonds (distance) C4'-P energy: -118.386 bonds (distance) P-C4' energy: -131.671 flat angles C4'-P-C4' energy: -131.017 flat angles P-C4'-P energy: -97.456 tors. eta vs tors. theta energy: -155.613 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: 2, replica: 7 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1803.057743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.057743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.057743 (E_RNA) where: Base-Base interactions energy: -1176.689 where: short stacking energy: -570.464 Base-Backbone interact. energy: 2.999 local terms energy: -629.367636 where: bonds (distance) C4'-P energy: -124.277 bonds (distance) P-C4' energy: -122.677 flat angles C4'-P-C4' energy: -132.544 flat angles P-C4'-P energy: -94.615 tors. eta vs tors. theta energy: -155.256 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: 3, replica: 9 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1834.377499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.377499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.377499 (E_RNA) where: Base-Base interactions energy: -1219.636 where: short stacking energy: -550.149 Base-Backbone interact. energy: 0.065 local terms energy: -614.806435 where: bonds (distance) C4'-P energy: -115.958 bonds (distance) P-C4' energy: -118.577 flat angles C4'-P-C4' energy: -133.339 flat angles P-C4'-P energy: -87.433 tors. eta vs tors. theta energy: -159.499 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: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1538.559448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.559448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.559448 (E_RNA) where: Base-Base interactions energy: -1003.168 where: short stacking energy: -463.320 Base-Backbone interact. energy: -0.374 local terms energy: -535.017115 where: bonds (distance) C4'-P energy: -106.890 bonds (distance) P-C4' energy: -112.225 flat angles C4'-P-C4' energy: -136.033 flat angles P-C4'-P energy: -62.525 tors. eta vs tors. theta energy: -117.344 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: 5, replica: 10 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1393.185309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.185309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.185309 (E_RNA) where: Base-Base interactions energy: -882.146 where: short stacking energy: -421.374 Base-Backbone interact. energy: -3.009 local terms energy: -508.029764 where: bonds (distance) C4'-P energy: -112.014 bonds (distance) P-C4' energy: -123.565 flat angles C4'-P-C4' energy: -106.501 flat angles P-C4'-P energy: -67.325 tors. eta vs tors. theta energy: -98.625 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: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1347.148969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.148969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.148969 (E_RNA) where: Base-Base interactions energy: -880.325 where: short stacking energy: -395.643 Base-Backbone interact. energy: -1.421 local terms energy: -465.403686 where: bonds (distance) C4'-P energy: -114.358 bonds (distance) P-C4' energy: -110.124 flat angles C4'-P-C4' energy: -102.085 flat angles P-C4'-P energy: -59.810 tors. eta vs tors. theta energy: -79.026 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: 7, replica: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1000.123565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.123565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.123565 (E_RNA) where: Base-Base interactions energy: -564.059 where: short stacking energy: -295.677 Base-Backbone interact. energy: 2.177 local terms energy: -438.241123 where: bonds (distance) C4'-P energy: -110.813 bonds (distance) P-C4' energy: -109.815 flat angles C4'-P-C4' energy: -112.804 flat angles P-C4'-P energy: -64.754 tors. eta vs tors. theta energy: -40.055 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: 8, replica: 3 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -842.671679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.671679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.671679 (E_RNA) where: Base-Base interactions energy: -464.257 where: short stacking energy: -227.244 Base-Backbone interact. energy: 5.925 local terms energy: -384.339745 where: bonds (distance) C4'-P energy: -100.953 bonds (distance) P-C4' energy: -108.626 flat angles C4'-P-C4' energy: -101.578 flat angles P-C4'-P energy: -47.684 tors. eta vs tors. theta energy: -25.499 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: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -721.596289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.596289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.596289 (E_RNA) where: Base-Base interactions energy: -386.447 where: short stacking energy: -221.240 Base-Backbone interact. energy: 1.755 local terms energy: -336.904243 where: bonds (distance) C4'-P energy: -101.591 bonds (distance) P-C4' energy: -90.034 flat angles C4'-P-C4' energy: -88.407 flat angles P-C4'-P energy: -48.435 tors. eta vs tors. theta energy: -8.437 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: 2 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -468.167762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.167762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.167762 (E_RNA) where: Base-Base interactions energy: -163.535 where: short stacking energy: -143.003 Base-Backbone interact. energy: -1.036 local terms energy: -303.597226 where: bonds (distance) C4'-P energy: -91.969 bonds (distance) P-C4' energy: -112.235 flat angles C4'-P-C4' energy: -64.667 flat angles P-C4'-P energy: -46.741 tors. eta vs tors. theta energy: 12.014 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: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1973.486502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.486502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.486502 (E_RNA) where: Base-Base interactions energy: -1328.360 where: short stacking energy: -577.262 Base-Backbone interact. energy: -0.265 local terms energy: -644.861312 where: bonds (distance) C4'-P energy: -121.991 bonds (distance) P-C4' energy: -123.795 flat angles C4'-P-C4' energy: -144.425 flat angles P-C4'-P energy: -90.376 tors. eta vs tors. theta energy: -164.275 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: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1794.597763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.597763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.597763 (E_RNA) where: Base-Base interactions energy: -1187.984 where: short stacking energy: -542.117 Base-Backbone interact. energy: -3.039 local terms energy: -603.574560 where: bonds (distance) C4'-P energy: -107.967 bonds (distance) P-C4' energy: -119.149 flat angles C4'-P-C4' energy: -135.352 flat angles P-C4'-P energy: -92.962 tors. eta vs tors. theta energy: -148.144 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: 3, replica: 9 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1801.440460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.440460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.440460 (E_RNA) where: Base-Base interactions energy: -1176.388 where: short stacking energy: -520.229 Base-Backbone interact. energy: -0.872 local terms energy: -624.180083 where: bonds (distance) C4'-P energy: -111.691 bonds (distance) P-C4' energy: -129.175 flat angles C4'-P-C4' energy: -138.434 flat angles P-C4'-P energy: -91.659 tors. eta vs tors. theta energy: -153.221 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: 4, replica: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1598.619165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.619165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.619165 (E_RNA) where: Base-Base interactions energy: -1005.139 where: short stacking energy: -471.051 Base-Backbone interact. energy: -1.452 local terms energy: -592.027683 where: bonds (distance) C4'-P energy: -126.136 bonds (distance) P-C4' energy: -129.316 flat angles C4'-P-C4' energy: -125.900 flat angles P-C4'-P energy: -91.302 tors. eta vs tors. theta energy: -119.374 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: 5, replica: 10 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1408.754058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.754058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.754058 (E_RNA) where: Base-Base interactions energy: -890.179 where: short stacking energy: -405.235 Base-Backbone interact. energy: -4.648 local terms energy: -513.927440 where: bonds (distance) C4'-P energy: -123.411 bonds (distance) P-C4' energy: -115.331 flat angles C4'-P-C4' energy: -110.579 flat angles P-C4'-P energy: -83.065 tors. eta vs tors. theta energy: -81.542 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: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1336.836456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.836456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.836456 (E_RNA) where: Base-Base interactions energy: -849.927 where: short stacking energy: -390.777 Base-Backbone interact. energy: -0.142 local terms energy: -486.767280 where: bonds (distance) C4'-P energy: -119.648 bonds (distance) P-C4' energy: -101.374 flat angles C4'-P-C4' energy: -114.859 flat angles P-C4'-P energy: -65.347 tors. eta vs tors. theta energy: -85.541 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: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1025.205530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.205530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.205530 (E_RNA) where: Base-Base interactions energy: -567.330 where: short stacking energy: -299.088 Base-Backbone interact. energy: -0.591 local terms energy: -457.284928 where: bonds (distance) C4'-P energy: -116.537 bonds (distance) P-C4' energy: -112.520 flat angles C4'-P-C4' energy: -107.011 flat angles P-C4'-P energy: -71.574 tors. eta vs tors. theta energy: -49.644 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: 3 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -855.978991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.978991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.978991 (E_RNA) where: Base-Base interactions energy: -473.150 where: short stacking energy: -274.987 Base-Backbone interact. energy: -0.968 local terms energy: -381.860729 where: bonds (distance) C4'-P energy: -87.245 bonds (distance) P-C4' energy: -95.935 flat angles C4'-P-C4' energy: -103.617 flat angles P-C4'-P energy: -60.297 tors. eta vs tors. theta energy: -34.767 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: 41 Temperature: 1.300000 Total energy: -645.548339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.548339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.548339 (E_RNA) where: Base-Base interactions energy: -283.511 where: short stacking energy: -183.688 Base-Backbone interact. energy: 3.326 local terms energy: -365.363478 where: bonds (distance) C4'-P energy: -92.968 bonds (distance) P-C4' energy: -109.543 flat angles C4'-P-C4' energy: -85.876 flat angles P-C4'-P energy: -59.951 tors. eta vs tors. theta energy: -17.025 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: 10, replica: 2 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -492.361514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.361514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.361514 (E_RNA) where: Base-Base interactions energy: -172.631 where: short stacking energy: -154.669 Base-Backbone interact. energy: -0.835 local terms energy: -318.894924 where: bonds (distance) C4'-P energy: -100.050 bonds (distance) P-C4' energy: -95.469 flat angles C4'-P-C4' energy: -92.796 flat angles P-C4'-P energy: -50.378 tors. eta vs tors. theta energy: 19.798 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: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1975.594349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.594349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.594349 (E_RNA) where: Base-Base interactions energy: -1358.618 where: short stacking energy: -586.179 Base-Backbone interact. energy: -2.586 local terms energy: -614.390246 where: bonds (distance) C4'-P energy: -124.981 bonds (distance) P-C4' energy: -115.301 flat angles C4'-P-C4' energy: -124.829 flat angles P-C4'-P energy: -91.261 tors. eta vs tors. theta energy: -158.019 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: 7 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1839.590385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.590385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.590385 (E_RNA) where: Base-Base interactions energy: -1209.890 where: short stacking energy: -548.590 Base-Backbone interact. energy: -0.783 local terms energy: -628.917819 where: bonds (distance) C4'-P energy: -119.063 bonds (distance) P-C4' energy: -132.488 flat angles C4'-P-C4' energy: -146.837 flat angles P-C4'-P energy: -86.275 tors. eta vs tors. theta energy: -144.254 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: 9 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1776.512944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.512944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.512944 (E_RNA) where: Base-Base interactions energy: -1187.842 where: short stacking energy: -546.304 Base-Backbone interact. energy: -3.771 local terms energy: -584.899904 where: bonds (distance) C4'-P energy: -105.693 bonds (distance) P-C4' energy: -128.980 flat angles C4'-P-C4' energy: -126.216 flat angles P-C4'-P energy: -83.482 tors. eta vs tors. theta energy: -140.529 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: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1563.915404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.915404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.915404 (E_RNA) where: Base-Base interactions energy: -1016.523 where: short stacking energy: -472.213 Base-Backbone interact. energy: 5.333 local terms energy: -552.725444 where: bonds (distance) C4'-P energy: -103.870 bonds (distance) P-C4' energy: -115.095 flat angles C4'-P-C4' energy: -132.036 flat angles P-C4'-P energy: -88.561 tors. eta vs tors. theta energy: -113.163 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: 10 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1381.517062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.517062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.517062 (E_RNA) where: Base-Base interactions energy: -894.699 where: short stacking energy: -391.076 Base-Backbone interact. energy: 0.724 local terms energy: -487.541980 where: bonds (distance) C4'-P energy: -114.506 bonds (distance) P-C4' energy: -102.804 flat angles C4'-P-C4' energy: -95.222 flat angles P-C4'-P energy: -80.882 tors. eta vs tors. theta energy: -94.128 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: 6, replica: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1347.665153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.665153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.665153 (E_RNA) where: Base-Base interactions energy: -850.493 where: short stacking energy: -383.237 Base-Backbone interact. energy: -4.965 local terms energy: -492.207400 where: bonds (distance) C4'-P energy: -99.680 bonds (distance) P-C4' energy: -124.485 flat angles C4'-P-C4' energy: -115.969 flat angles P-C4'-P energy: -69.172 tors. eta vs tors. theta energy: -82.902 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: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -996.665272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.665272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.665272 (E_RNA) where: Base-Base interactions energy: -568.671 where: short stacking energy: -285.909 Base-Backbone interact. energy: 1.764 local terms energy: -429.759093 where: bonds (distance) C4'-P energy: -115.201 bonds (distance) P-C4' energy: -116.177 flat angles C4'-P-C4' energy: -103.915 flat angles P-C4'-P energy: -55.850 tors. eta vs tors. theta energy: -38.617 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: 8, replica: 3 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -878.764375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.764375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.764375 (E_RNA) where: Base-Base interactions energy: -483.941 where: short stacking energy: -274.411 Base-Backbone interact. energy: 3.140 local terms energy: -397.963825 where: bonds (distance) C4'-P energy: -110.389 bonds (distance) P-C4' energy: -91.581 flat angles C4'-P-C4' energy: -110.355 flat angles P-C4'-P energy: -38.851 tors. eta vs tors. theta energy: -46.787 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: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -702.598243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.598243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.598243 (E_RNA) where: Base-Base interactions energy: -348.892 where: short stacking energy: -176.960 Base-Backbone interact. energy: 2.256 local terms energy: -355.961843 where: bonds (distance) C4'-P energy: -114.656 bonds (distance) P-C4' energy: -105.120 flat angles C4'-P-C4' energy: -79.354 flat angles P-C4'-P energy: -56.020 tors. eta vs tors. theta energy: -0.812 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: 10, replica: 2 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -498.048786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.048786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.048786 (E_RNA) where: Base-Base interactions energy: -191.228 where: short stacking energy: -155.215 Base-Backbone interact. energy: 0.141 local terms energy: -306.961459 where: bonds (distance) C4'-P energy: -104.264 bonds (distance) P-C4' energy: -98.117 flat angles C4'-P-C4' energy: -74.724 flat angles P-C4'-P energy: -40.632 tors. eta vs tors. theta energy: 10.776 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: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1978.648566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.648566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.648566 (E_RNA) where: Base-Base interactions energy: -1314.815 where: short stacking energy: -569.893 Base-Backbone interact. energy: -2.583 local terms energy: -661.250646 where: bonds (distance) C4'-P energy: -134.988 bonds (distance) P-C4' energy: -128.122 flat angles C4'-P-C4' energy: -139.445 flat angles P-C4'-P energy: -90.778 tors. eta vs tors. theta energy: -167.918 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: 7 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1841.087601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.087601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.087601 (E_RNA) where: Base-Base interactions energy: -1218.159 where: short stacking energy: -565.619 Base-Backbone interact. energy: -2.191 local terms energy: -620.737291 where: bonds (distance) C4'-P energy: -117.379 bonds (distance) P-C4' energy: -119.795 flat angles C4'-P-C4' energy: -136.681 flat angles P-C4'-P energy: -93.129 tors. eta vs tors. theta energy: -153.753 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: 9 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1819.576156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.576156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.576156 (E_RNA) where: Base-Base interactions energy: -1225.397 where: short stacking energy: -539.054 Base-Backbone interact. energy: -6.314 local terms energy: -587.864703 where: bonds (distance) C4'-P energy: -106.013 bonds (distance) P-C4' energy: -121.930 flat angles C4'-P-C4' energy: -120.366 flat angles P-C4'-P energy: -90.937 tors. eta vs tors. theta energy: -148.618 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: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1574.995870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.995870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.995870 (E_RNA) where: Base-Base interactions energy: -1019.085 where: short stacking energy: -463.920 Base-Backbone interact. energy: -3.745 local terms energy: -552.165036 where: bonds (distance) C4'-P energy: -121.235 bonds (distance) P-C4' energy: -130.311 flat angles C4'-P-C4' energy: -118.837 flat angles P-C4'-P energy: -68.486 tors. eta vs tors. theta energy: -113.296 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: 5, replica: 10 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1412.218494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.218494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.218494 (E_RNA) where: Base-Base interactions energy: -899.450 where: short stacking energy: -401.746 Base-Backbone interact. energy: 4.069 local terms energy: -516.837431 where: bonds (distance) C4'-P energy: -114.510 bonds (distance) P-C4' energy: -119.200 flat angles C4'-P-C4' energy: -116.686 flat angles P-C4'-P energy: -72.575 tors. eta vs tors. theta energy: -93.866 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: 6, replica: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1358.974144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.974144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.974144 (E_RNA) where: Base-Base interactions energy: -863.128 where: short stacking energy: -375.586 Base-Backbone interact. energy: -2.407 local terms energy: -493.439232 where: bonds (distance) C4'-P energy: -103.496 bonds (distance) P-C4' energy: -119.238 flat angles C4'-P-C4' energy: -119.745 flat angles P-C4'-P energy: -63.348 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: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1028.577142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.577142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.577142 (E_RNA) where: Base-Base interactions energy: -576.746 where: short stacking energy: -318.428 Base-Backbone interact. energy: -3.069 local terms energy: -448.762280 where: bonds (distance) C4'-P energy: -110.989 bonds (distance) P-C4' energy: -114.498 flat angles C4'-P-C4' energy: -104.553 flat angles P-C4'-P energy: -65.676 tors. eta vs tors. theta energy: -53.047 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: 3 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -965.588561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.588561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.588561 (E_RNA) where: Base-Base interactions energy: -573.211 where: short stacking energy: -287.698 Base-Backbone interact. energy: -1.022 local terms energy: -391.355680 where: bonds (distance) C4'-P energy: -87.055 bonds (distance) P-C4' energy: -107.761 flat angles C4'-P-C4' energy: -100.604 flat angles P-C4'-P energy: -53.128 tors. eta vs tors. theta energy: -42.807 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: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -711.382788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.382788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.382788 (E_RNA) where: Base-Base interactions energy: -366.976 where: short stacking energy: -197.688 Base-Backbone interact. energy: -0.883 local terms energy: -343.523511 where: bonds (distance) C4'-P energy: -84.491 bonds (distance) P-C4' energy: -98.036 flat angles C4'-P-C4' energy: -100.534 flat angles P-C4'-P energy: -46.242 tors. eta vs tors. theta energy: -14.221 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: 10, replica: 2 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -479.675799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.675799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.675799 (E_RNA) where: Base-Base interactions energy: -138.983 where: short stacking energy: -124.366 Base-Backbone interact. energy: -3.948 local terms energy: -336.744971 where: bonds (distance) C4'-P energy: -89.482 bonds (distance) P-C4' energy: -100.084 flat angles C4'-P-C4' energy: -104.352 flat angles P-C4'-P energy: -55.309 tors. eta vs tors. theta energy: 12.482 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: 1, replica: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1986.525292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.525292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.525292 (E_RNA) where: Base-Base interactions energy: -1345.787 where: short stacking energy: -588.050 Base-Backbone interact. energy: -3.127 local terms energy: -637.611457 where: bonds (distance) C4'-P energy: -125.040 bonds (distance) P-C4' energy: -122.103 flat angles C4'-P-C4' energy: -142.179 flat angles P-C4'-P energy: -84.341 tors. eta vs tors. theta energy: -163.948 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: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1806.328025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.328025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.328025 (E_RNA) where: Base-Base interactions energy: -1208.502 where: short stacking energy: -563.821 Base-Backbone interact. energy: -2.710 local terms energy: -595.116552 where: bonds (distance) C4'-P energy: -111.036 bonds (distance) P-C4' energy: -116.145 flat angles C4'-P-C4' energy: -128.738 flat angles P-C4'-P energy: -79.329 tors. eta vs tors. theta energy: -159.869 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: 9 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1840.667695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.667695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.667695 (E_RNA) where: Base-Base interactions energy: -1217.525 where: short stacking energy: -541.068 Base-Backbone interact. energy: -4.086 local terms energy: -619.056829 where: bonds (distance) C4'-P energy: -125.619 bonds (distance) P-C4' energy: -128.340 flat angles C4'-P-C4' energy: -130.216 flat angles P-C4'-P energy: -81.080 tors. eta vs tors. theta energy: -153.802 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: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1627.247283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.247283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.247283 (E_RNA) where: Base-Base interactions energy: -1084.251 where: short stacking energy: -499.247 Base-Backbone interact. energy: -1.115 local terms energy: -541.881689 where: bonds (distance) C4'-P energy: -115.527 bonds (distance) P-C4' energy: -118.829 flat angles C4'-P-C4' energy: -109.665 flat angles P-C4'-P energy: -72.432 tors. eta vs tors. theta energy: -125.429 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: 5, replica: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1376.268801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.268801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.268801 (E_RNA) where: Base-Base interactions energy: -856.387 where: short stacking energy: -421.703 Base-Backbone interact. energy: -2.509 local terms energy: -517.372944 where: bonds (distance) C4'-P energy: -115.019 bonds (distance) P-C4' energy: -115.377 flat angles C4'-P-C4' energy: -122.734 flat angles P-C4'-P energy: -73.825 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: 6, replica: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1354.663138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.663138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.663138 (E_RNA) where: Base-Base interactions energy: -822.373 where: short stacking energy: -401.780 Base-Backbone interact. energy: -2.838 local terms energy: -529.452588 where: bonds (distance) C4'-P energy: -119.864 bonds (distance) P-C4' energy: -108.514 flat angles C4'-P-C4' energy: -121.367 flat angles P-C4'-P energy: -82.786 tors. eta vs tors. theta energy: -96.922 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: 7, replica: 3 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1066.396702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.396702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.396702 (E_RNA) where: Base-Base interactions energy: -612.026 where: short stacking energy: -303.532 Base-Backbone interact. energy: -5.972 local terms energy: -448.398107 where: bonds (distance) C4'-P energy: -107.604 bonds (distance) P-C4' energy: -118.726 flat angles C4'-P-C4' energy: -109.346 flat angles P-C4'-P energy: -64.723 tors. eta vs tors. theta energy: -47.999 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: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -999.101845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.101845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.101845 (E_RNA) where: Base-Base interactions energy: -623.269 where: short stacking energy: -299.791 Base-Backbone interact. energy: -0.510 local terms energy: -375.322719 where: bonds (distance) C4'-P energy: -87.813 bonds (distance) P-C4' energy: -106.449 flat angles C4'-P-C4' energy: -103.846 flat angles P-C4'-P energy: -48.864 tors. eta vs tors. theta energy: -28.351 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: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -750.359006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.359006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.359006 (E_RNA) where: Base-Base interactions energy: -380.720 where: short stacking energy: -197.708 Base-Backbone interact. energy: 1.102 local terms energy: -370.740326 where: bonds (distance) C4'-P energy: -112.274 bonds (distance) P-C4' energy: -104.896 flat angles C4'-P-C4' energy: -91.317 flat angles P-C4'-P energy: -53.814 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: 10, replica: 2 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -506.935053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.935053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.935053 (E_RNA) where: Base-Base interactions energy: -174.181 where: short stacking energy: -125.610 Base-Backbone interact. energy: -5.595 local terms energy: -327.158250 where: bonds (distance) C4'-P energy: -120.759 bonds (distance) P-C4' energy: -99.701 flat angles C4'-P-C4' energy: -73.234 flat angles P-C4'-P energy: -55.011 tors. eta vs tors. theta energy: 21.548 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: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1970.583664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.583664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.583664 (E_RNA) where: Base-Base interactions energy: -1343.639 where: short stacking energy: -565.500 Base-Backbone interact. energy: -4.051 local terms energy: -622.892944 where: bonds (distance) C4'-P energy: -113.796 bonds (distance) P-C4' energy: -128.335 flat angles C4'-P-C4' energy: -138.511 flat angles P-C4'-P energy: -81.296 tors. eta vs tors. theta energy: -160.954 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: 2, replica: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1878.422024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.422024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.422024 (E_RNA) where: Base-Base interactions energy: -1229.477 where: short stacking energy: -559.668 Base-Backbone interact. energy: -4.560 local terms energy: -644.385056 where: bonds (distance) C4'-P energy: -122.436 bonds (distance) P-C4' energy: -130.250 flat angles C4'-P-C4' energy: -137.709 flat angles P-C4'-P energy: -95.905 tors. eta vs tors. theta energy: -158.085 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: 3, replica: 7 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1726.894107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.894107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.894107 (E_RNA) where: Base-Base interactions energy: -1115.516 where: short stacking energy: -548.264 Base-Backbone interact. energy: -0.820 local terms energy: -610.557487 where: bonds (distance) C4'-P energy: -110.896 bonds (distance) P-C4' energy: -131.240 flat angles C4'-P-C4' energy: -136.234 flat angles P-C4'-P energy: -84.933 tors. eta vs tors. theta energy: -147.255 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: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1626.177625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.177625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.177625 (E_RNA) where: Base-Base interactions energy: -1063.787 where: short stacking energy: -464.109 Base-Backbone interact. energy: -3.097 local terms energy: -559.293174 where: bonds (distance) C4'-P energy: -119.433 bonds (distance) P-C4' energy: -114.611 flat angles C4'-P-C4' energy: -128.051 flat angles P-C4'-P energy: -78.031 tors. eta vs tors. theta energy: -119.167 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: 5, replica: 10 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1388.369249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.369249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.369249 (E_RNA) where: Base-Base interactions energy: -901.838 where: short stacking energy: -393.567 Base-Backbone interact. energy: -0.806 local terms energy: -485.725247 where: bonds (distance) C4'-P energy: -97.156 bonds (distance) P-C4' energy: -111.403 flat angles C4'-P-C4' energy: -124.563 flat angles P-C4'-P energy: -62.819 tors. eta vs tors. theta energy: -89.784 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: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1358.393631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.393631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.393631 (E_RNA) where: Base-Base interactions energy: -854.600 where: short stacking energy: -386.332 Base-Backbone interact. energy: -2.123 local terms energy: -501.670244 where: bonds (distance) C4'-P energy: -103.040 bonds (distance) P-C4' energy: -111.165 flat angles C4'-P-C4' energy: -129.648 flat angles P-C4'-P energy: -64.884 tors. eta vs tors. theta energy: -92.933 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: 7, replica: 3 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1052.560058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.560058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.560058 (E_RNA) where: Base-Base interactions energy: -622.095 where: short stacking energy: -278.187 Base-Backbone interact. energy: 3.924 local terms energy: -434.388774 where: bonds (distance) C4'-P energy: -112.841 bonds (distance) P-C4' energy: -107.358 flat angles C4'-P-C4' energy: -92.340 flat angles P-C4'-P energy: -84.632 tors. eta vs tors. theta energy: -37.218 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: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1012.913901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.913901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.913901 (E_RNA) where: Base-Base interactions energy: -631.796 where: short stacking energy: -299.512 Base-Backbone interact. energy: -1.403 local terms energy: -379.715405 where: bonds (distance) C4'-P energy: -87.127 bonds (distance) P-C4' energy: -104.736 flat angles C4'-P-C4' energy: -93.369 flat angles P-C4'-P energy: -51.963 tors. eta vs tors. theta energy: -42.521 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: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -799.310172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.310172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.310172 (E_RNA) where: Base-Base interactions energy: -411.612 where: short stacking energy: -239.773 Base-Backbone interact. energy: -1.725 local terms energy: -385.972973 where: bonds (distance) C4'-P energy: -89.366 bonds (distance) P-C4' energy: -125.976 flat angles C4'-P-C4' energy: -84.134 flat angles P-C4'-P energy: -58.131 tors. eta vs tors. theta energy: -28.366 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: 2 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -533.241681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.241681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.241681 (E_RNA) where: Base-Base interactions energy: -225.072 where: short stacking energy: -143.995 Base-Backbone interact. energy: 1.458 local terms energy: -309.627510 where: bonds (distance) C4'-P energy: -98.785 bonds (distance) P-C4' energy: -103.406 flat angles C4'-P-C4' energy: -98.713 flat angles P-C4'-P energy: -35.756 tors. eta vs tors. theta energy: 27.032 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: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2037.964060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.964060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.964060 (E_RNA) where: Base-Base interactions energy: -1370.421 where: short stacking energy: -579.158 Base-Backbone interact. energy: 0.131 local terms energy: -667.673204 where: bonds (distance) C4'-P energy: -136.568 bonds (distance) P-C4' energy: -122.271 flat angles C4'-P-C4' energy: -148.494 flat angles P-C4'-P energy: -93.432 tors. eta vs tors. theta energy: -166.908 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: 9 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1893.555980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.555980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.555980 (E_RNA) where: Base-Base interactions energy: -1244.208 where: short stacking energy: -571.463 Base-Backbone interact. energy: 1.230 local terms energy: -650.577943 where: bonds (distance) C4'-P energy: -126.462 bonds (distance) P-C4' energy: -124.500 flat angles C4'-P-C4' energy: -132.761 flat angles P-C4'-P energy: -91.295 tors. eta vs tors. theta energy: -175.560 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: 3, replica: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1755.554315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.554315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.554315 (E_RNA) where: Base-Base interactions energy: -1134.792 where: short stacking energy: -531.433 Base-Backbone interact. energy: -3.909 local terms energy: -616.853416 where: bonds (distance) C4'-P energy: -109.642 bonds (distance) P-C4' energy: -118.135 flat angles C4'-P-C4' energy: -139.278 flat angles P-C4'-P energy: -96.443 tors. eta vs tors. theta energy: -153.354 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: 4, replica: 4 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1686.864321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.864321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.864321 (E_RNA) where: Base-Base interactions energy: -1134.089 where: short stacking energy: -498.366 Base-Backbone interact. energy: -3.936 local terms energy: -548.839554 where: bonds (distance) C4'-P energy: -107.466 bonds (distance) P-C4' energy: -93.972 flat angles C4'-P-C4' energy: -126.132 flat angles P-C4'-P energy: -90.965 tors. eta vs tors. theta energy: -130.305 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: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1408.341532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.341532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.341532 (E_RNA) where: Base-Base interactions energy: -890.729 where: short stacking energy: -393.615 Base-Backbone interact. energy: -1.942 local terms energy: -515.670156 where: bonds (distance) C4'-P energy: -118.326 bonds (distance) P-C4' energy: -106.069 flat angles C4'-P-C4' energy: -119.731 flat angles P-C4'-P energy: -75.643 tors. eta vs tors. theta energy: -95.901 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: 10 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1362.453869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.453869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.453869 (E_RNA) where: Base-Base interactions energy: -901.005 where: short stacking energy: -424.511 Base-Backbone interact. energy: -1.329 local terms energy: -460.118997 where: bonds (distance) C4'-P energy: -95.962 bonds (distance) P-C4' energy: -104.335 flat angles C4'-P-C4' energy: -104.169 flat angles P-C4'-P energy: -63.806 tors. eta vs tors. theta energy: -91.846 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: 7, replica: 3 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1088.130488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.130488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.130488 (E_RNA) where: Base-Base interactions energy: -670.828 where: short stacking energy: -335.182 Base-Backbone interact. energy: 1.218 local terms energy: -418.520581 where: bonds (distance) C4'-P energy: -92.336 bonds (distance) P-C4' energy: -94.924 flat angles C4'-P-C4' energy: -112.398 flat angles P-C4'-P energy: -65.804 tors. eta vs tors. theta energy: -53.059 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: 46 Temperature: 1.250000 Total energy: -916.090238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.090238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.090238 (E_RNA) where: Base-Base interactions energy: -528.295 where: short stacking energy: -259.522 Base-Backbone interact. energy: 0.610 local terms energy: -388.404795 where: bonds (distance) C4'-P energy: -94.441 bonds (distance) P-C4' energy: -117.769 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -22.483 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: 46 Temperature: 1.300000 Total energy: -796.829475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.829475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.829475 (E_RNA) where: Base-Base interactions energy: -454.573 where: short stacking energy: -243.569 Base-Backbone interact. energy: -3.343 local terms energy: -338.913237 where: bonds (distance) C4'-P energy: -106.703 bonds (distance) P-C4' energy: -83.776 flat angles C4'-P-C4' energy: -94.081 flat angles P-C4'-P energy: -35.518 tors. eta vs tors. theta energy: -18.835 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: 2 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -642.072384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.072384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.072384 (E_RNA) where: Base-Base interactions energy: -314.866 where: short stacking energy: -194.999 Base-Backbone interact. energy: 4.281 local terms energy: -331.487712 where: bonds (distance) C4'-P energy: -100.250 bonds (distance) P-C4' energy: -95.054 flat angles C4'-P-C4' energy: -92.886 flat angles P-C4'-P energy: -45.405 tors. eta vs tors. theta energy: 2.107 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: 47 Temperature: 0.900000 Total energy: -2023.199879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.199879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.199879 (E_RNA) where: Base-Base interactions energy: -1389.247 where: short stacking energy: -594.975 Base-Backbone interact. energy: -2.862 local terms energy: -631.090280 where: bonds (distance) C4'-P energy: -127.227 bonds (distance) P-C4' energy: -123.078 flat angles C4'-P-C4' energy: -125.426 flat angles P-C4'-P energy: -95.660 tors. eta vs tors. theta energy: -159.699 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: 2, replica: 9 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1884.518826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.518826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.518826 (E_RNA) where: Base-Base interactions energy: -1259.483 where: short stacking energy: -557.974 Base-Backbone interact. energy: -0.359 local terms energy: -624.677466 where: bonds (distance) C4'-P energy: -110.969 bonds (distance) P-C4' energy: -123.560 flat angles C4'-P-C4' energy: -133.023 flat angles P-C4'-P energy: -93.533 tors. eta vs tors. theta energy: -163.593 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: 3, replica: 7 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1763.354264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.354264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.354264 (E_RNA) where: Base-Base interactions energy: -1136.846 where: short stacking energy: -514.220 Base-Backbone interact. energy: -0.408 local terms energy: -626.100519 where: bonds (distance) C4'-P energy: -121.227 bonds (distance) P-C4' energy: -124.664 flat angles C4'-P-C4' energy: -135.651 flat angles P-C4'-P energy: -93.006 tors. eta vs tors. theta energy: -151.553 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: 4, replica: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1657.103148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.103148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.103148 (E_RNA) where: Base-Base interactions energy: -1116.811 where: short stacking energy: -478.108 Base-Backbone interact. energy: -3.136 local terms energy: -537.156432 where: bonds (distance) C4'-P energy: -106.648 bonds (distance) P-C4' energy: -119.964 flat angles C4'-P-C4' energy: -122.387 flat angles P-C4'-P energy: -65.098 tors. eta vs tors. theta energy: -123.060 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: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1474.101101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.101101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.101101 (E_RNA) where: Base-Base interactions energy: -946.924 where: short stacking energy: -407.561 Base-Backbone interact. energy: -1.704 local terms energy: -525.472232 where: bonds (distance) C4'-P energy: -118.705 bonds (distance) P-C4' energy: -118.806 flat angles C4'-P-C4' energy: -117.055 flat angles P-C4'-P energy: -75.478 tors. eta vs tors. theta energy: -95.429 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: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1432.308972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.308972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.308972 (E_RNA) where: Base-Base interactions energy: -922.636 where: short stacking energy: -419.737 Base-Backbone interact. energy: -0.407 local terms energy: -509.265357 where: bonds (distance) C4'-P energy: -107.154 bonds (distance) P-C4' energy: -100.675 flat angles C4'-P-C4' energy: -128.497 flat angles P-C4'-P energy: -77.483 tors. eta vs tors. theta energy: -95.456 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: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1128.202677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.202677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.202677 (E_RNA) where: Base-Base interactions energy: -668.681 where: short stacking energy: -317.188 Base-Backbone interact. energy: 2.290 local terms energy: -461.811000 where: bonds (distance) C4'-P energy: -101.052 bonds (distance) P-C4' energy: -115.942 flat angles C4'-P-C4' energy: -107.777 flat angles P-C4'-P energy: -67.362 tors. eta vs tors. theta energy: -69.677 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: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -927.081309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.081309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.081309 (E_RNA) where: Base-Base interactions energy: -541.913 where: short stacking energy: -262.791 Base-Backbone interact. energy: -1.081 local terms energy: -384.086665 where: bonds (distance) C4'-P energy: -108.347 bonds (distance) P-C4' energy: -107.565 flat angles C4'-P-C4' energy: -98.928 flat angles P-C4'-P energy: -52.301 tors. eta vs tors. theta energy: -16.946 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: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -802.483130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.483130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.483130 (E_RNA) where: Base-Base interactions energy: -420.621 where: short stacking energy: -211.183 Base-Backbone interact. energy: 1.775 local terms energy: -383.636653 where: bonds (distance) C4'-P energy: -110.088 bonds (distance) P-C4' energy: -110.314 flat angles C4'-P-C4' energy: -111.259 flat angles P-C4'-P energy: -53.887 tors. eta vs tors. theta energy: 1.912 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: 2 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -632.001591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.001591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.001591 (E_RNA) where: Base-Base interactions energy: -316.174 where: short stacking energy: -194.642 Base-Backbone interact. energy: 4.513 local terms energy: -320.340871 where: bonds (distance) C4'-P energy: -75.969 bonds (distance) P-C4' energy: -89.320 flat angles C4'-P-C4' energy: -89.822 flat angles P-C4'-P energy: -58.457 tors. eta vs tors. theta energy: -6.772 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: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1990.854534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.854534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.854534 (E_RNA) where: Base-Base interactions energy: -1347.144 where: short stacking energy: -585.702 Base-Backbone interact. energy: -1.751 local terms energy: -641.960043 where: bonds (distance) C4'-P energy: -128.103 bonds (distance) P-C4' energy: -123.273 flat angles C4'-P-C4' energy: -129.502 flat angles P-C4'-P energy: -86.883 tors. eta vs tors. theta energy: -174.200 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: 2, replica: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1882.503511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.503511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.503511 (E_RNA) where: Base-Base interactions energy: -1237.261 where: short stacking energy: -558.667 Base-Backbone interact. energy: -1.658 local terms energy: -643.584869 where: bonds (distance) C4'-P energy: -123.548 bonds (distance) P-C4' energy: -131.759 flat angles C4'-P-C4' energy: -128.619 flat angles P-C4'-P energy: -99.737 tors. eta vs tors. theta energy: -159.922 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: 3, replica: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1771.339919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.339919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.339919 (E_RNA) where: Base-Base interactions energy: -1189.150 where: short stacking energy: -522.481 Base-Backbone interact. energy: 1.885 local terms energy: -584.075459 where: bonds (distance) C4'-P energy: -105.871 bonds (distance) P-C4' energy: -127.403 flat angles C4'-P-C4' energy: -132.761 flat angles P-C4'-P energy: -78.099 tors. eta vs tors. theta energy: -139.942 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: 4, replica: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1650.453364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.453364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.453364 (E_RNA) where: Base-Base interactions energy: -1068.122 where: short stacking energy: -504.829 Base-Backbone interact. energy: -4.284 local terms energy: -578.047504 where: bonds (distance) C4'-P energy: -117.868 bonds (distance) P-C4' energy: -114.369 flat angles C4'-P-C4' energy: -117.051 flat angles P-C4'-P energy: -83.922 tors. eta vs tors. theta energy: -144.837 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: 5, replica: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1484.207570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.207570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.207570 (E_RNA) where: Base-Base interactions energy: -951.885 where: short stacking energy: -445.586 Base-Backbone interact. energy: -1.079 local terms energy: -531.244140 where: bonds (distance) C4'-P energy: -113.097 bonds (distance) P-C4' energy: -113.029 flat angles C4'-P-C4' energy: -108.949 flat angles P-C4'-P energy: -88.032 tors. eta vs tors. theta energy: -108.137 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: 6, replica: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1339.445745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.445745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.445745 (E_RNA) where: Base-Base interactions energy: -850.183 where: short stacking energy: -405.106 Base-Backbone interact. energy: 2.229 local terms energy: -491.492726 where: bonds (distance) C4'-P energy: -99.207 bonds (distance) P-C4' energy: -117.343 flat angles C4'-P-C4' energy: -110.011 flat angles P-C4'-P energy: -69.297 tors. eta vs tors. theta energy: -95.636 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: 3 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1182.636389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.636389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.636389 (E_RNA) where: Base-Base interactions energy: -724.563 where: short stacking energy: -344.230 Base-Backbone interact. energy: -1.780 local terms energy: -456.293852 where: bonds (distance) C4'-P energy: -111.044 bonds (distance) P-C4' energy: -113.689 flat angles C4'-P-C4' energy: -94.050 flat angles P-C4'-P energy: -68.366 tors. eta vs tors. theta energy: -69.145 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: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -933.530410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.530410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.530410 (E_RNA) where: Base-Base interactions energy: -538.139 where: short stacking energy: -251.628 Base-Backbone interact. energy: -0.921 local terms energy: -394.470988 where: bonds (distance) C4'-P energy: -93.890 bonds (distance) P-C4' energy: -105.874 flat angles C4'-P-C4' energy: -107.841 flat angles P-C4'-P energy: -45.862 tors. eta vs tors. theta energy: -41.004 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: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -810.666650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.666650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.666650 (E_RNA) where: Base-Base interactions energy: -425.905 where: short stacking energy: -213.648 Base-Backbone interact. energy: 1.359 local terms energy: -386.120476 where: bonds (distance) C4'-P energy: -112.266 bonds (distance) P-C4' energy: -99.349 flat angles C4'-P-C4' energy: -92.566 flat angles P-C4'-P energy: -67.799 tors. eta vs tors. theta energy: -14.140 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: 2 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -600.269323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.269323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.269323 (E_RNA) where: Base-Base interactions energy: -270.707 where: short stacking energy: -173.854 Base-Backbone interact. energy: -0.704 local terms energy: -328.858130 where: bonds (distance) C4'-P energy: -82.402 bonds (distance) P-C4' energy: -108.522 flat angles C4'-P-C4' energy: -92.613 flat angles P-C4'-P energy: -46.699 tors. eta vs tors. theta energy: 1.379 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: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2005.881259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.881259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.881259 (E_RNA) where: Base-Base interactions energy: -1368.001 where: short stacking energy: -590.057 Base-Backbone interact. energy: -3.683 local terms energy: -634.197165 where: bonds (distance) C4'-P energy: -126.531 bonds (distance) P-C4' energy: -130.369 flat angles C4'-P-C4' energy: -119.177 flat angles P-C4'-P energy: -86.193 tors. eta vs tors. theta energy: -171.927 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: 2, replica: 9 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1876.031310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.031310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.031310 (E_RNA) where: Base-Base interactions energy: -1255.156 where: short stacking energy: -540.229 Base-Backbone interact. energy: -1.975 local terms energy: -618.900386 where: bonds (distance) C4'-P energy: -109.475 bonds (distance) P-C4' energy: -135.106 flat angles C4'-P-C4' energy: -141.399 flat angles P-C4'-P energy: -88.314 tors. eta vs tors. theta energy: -144.606 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: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1744.628079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.628079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.628079 (E_RNA) where: Base-Base interactions energy: -1176.317 where: short stacking energy: -512.937 Base-Backbone interact. energy: -4.064 local terms energy: -564.247754 where: bonds (distance) C4'-P energy: -102.732 bonds (distance) P-C4' energy: -119.030 flat angles C4'-P-C4' energy: -132.865 flat angles P-C4'-P energy: -86.977 tors. eta vs tors. theta energy: -122.643 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: 4, replica: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1658.805257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.805257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.805257 (E_RNA) where: Base-Base interactions energy: -1089.144 where: short stacking energy: -481.454 Base-Backbone interact. energy: 1.352 local terms energy: -571.013657 where: bonds (distance) C4'-P energy: -118.550 bonds (distance) P-C4' energy: -108.686 flat angles C4'-P-C4' energy: -113.291 flat angles P-C4'-P energy: -87.159 tors. eta vs tors. theta energy: -143.328 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: 49 Temperature: 1.100000 Total energy: -1500.109636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.109636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.109636 (E_RNA) where: Base-Base interactions energy: -973.442 where: short stacking energy: -448.603 Base-Backbone interact. energy: 2.288 local terms energy: -528.954974 where: bonds (distance) C4'-P energy: -111.801 bonds (distance) P-C4' energy: -107.942 flat angles C4'-P-C4' energy: -116.294 flat angles P-C4'-P energy: -77.562 tors. eta vs tors. theta energy: -115.356 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: 6, replica: 10 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1429.598729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.598729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.598729 (E_RNA) where: Base-Base interactions energy: -923.309 where: short stacking energy: -425.917 Base-Backbone interact. energy: -4.556 local terms energy: -501.733261 where: bonds (distance) C4'-P energy: -118.603 bonds (distance) P-C4' energy: -109.656 flat angles C4'-P-C4' energy: -114.266 flat angles P-C4'-P energy: -61.784 tors. eta vs tors. theta energy: -97.425 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: 3 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1211.540292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.540292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.540292 (E_RNA) where: Base-Base interactions energy: -731.838 where: short stacking energy: -331.673 Base-Backbone interact. energy: -0.802 local terms energy: -478.899817 where: bonds (distance) C4'-P energy: -108.938 bonds (distance) P-C4' energy: -115.631 flat angles C4'-P-C4' energy: -120.788 flat angles P-C4'-P energy: -55.169 tors. eta vs tors. theta energy: -78.373 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: 6 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -960.882366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.882366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.882366 (E_RNA) where: Base-Base interactions energy: -532.969 where: short stacking energy: -269.367 Base-Backbone interact. energy: -0.737 local terms energy: -427.175721 where: bonds (distance) C4'-P energy: -100.270 bonds (distance) P-C4' energy: -123.029 flat angles C4'-P-C4' energy: -96.651 flat angles P-C4'-P energy: -64.897 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: 9, replica: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -873.020137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.020137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.020137 (E_RNA) where: Base-Base interactions energy: -500.783 where: short stacking energy: -252.769 Base-Backbone interact. energy: -1.611 local terms energy: -370.625955 where: bonds (distance) C4'-P energy: -88.116 bonds (distance) P-C4' energy: -109.138 flat angles C4'-P-C4' energy: -75.597 flat angles P-C4'-P energy: -56.033 tors. eta vs tors. theta energy: -41.742 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: 10, replica: 2 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -629.495522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.495522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.495522 (E_RNA) where: Base-Base interactions energy: -292.189 where: short stacking energy: -174.477 Base-Backbone interact. energy: 0.625 local terms energy: -337.931970 where: bonds (distance) C4'-P energy: -94.305 bonds (distance) P-C4' energy: -104.927 flat angles C4'-P-C4' energy: -96.725 flat angles P-C4'-P energy: -55.138 tors. eta vs tors. theta energy: 13.163 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: 1, replica: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2038.680476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.680476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.680476 (E_RNA) where: Base-Base interactions energy: -1373.150 where: short stacking energy: -569.147 Base-Backbone interact. energy: -3.315 local terms energy: -662.215679 where: bonds (distance) C4'-P energy: -117.587 bonds (distance) P-C4' energy: -130.229 flat angles C4'-P-C4' energy: -138.445 flat angles P-C4'-P energy: -101.172 tors. eta vs tors. theta energy: -174.783 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: 9 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1879.253280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.253280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.253280 (E_RNA) where: Base-Base interactions energy: -1264.233 where: short stacking energy: -542.520 Base-Backbone interact. energy: 0.711 local terms energy: -615.731618 where: bonds (distance) C4'-P energy: -127.522 bonds (distance) P-C4' energy: -127.536 flat angles C4'-P-C4' energy: -136.925 flat angles P-C4'-P energy: -85.116 tors. eta vs tors. theta energy: -138.633 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: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1723.438980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.438980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.438980 (E_RNA) where: Base-Base interactions energy: -1143.046 where: short stacking energy: -510.316 Base-Backbone interact. energy: -1.418 local terms energy: -578.975389 where: bonds (distance) C4'-P energy: -114.729 bonds (distance) P-C4' energy: -121.363 flat angles C4'-P-C4' energy: -130.429 flat angles P-C4'-P energy: -81.032 tors. eta vs tors. theta energy: -131.423 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: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1672.686846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.686846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.686846 (E_RNA) where: Base-Base interactions energy: -1109.435 where: short stacking energy: -499.835 Base-Backbone interact. energy: -1.710 local terms energy: -561.541422 where: bonds (distance) C4'-P energy: -110.891 bonds (distance) P-C4' energy: -118.294 flat angles C4'-P-C4' energy: -130.151 flat angles P-C4'-P energy: -70.710 tors. eta vs tors. theta energy: -131.495 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: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1503.430097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.430097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.430097 (E_RNA) where: Base-Base interactions energy: -975.891 where: short stacking energy: -463.269 Base-Backbone interact. energy: -4.443 local terms energy: -523.096014 where: bonds (distance) C4'-P energy: -99.991 bonds (distance) P-C4' energy: -110.561 flat angles C4'-P-C4' energy: -125.438 flat angles P-C4'-P energy: -77.254 tors. eta vs tors. theta energy: -109.852 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: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1437.221021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.221021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.221021 (E_RNA) where: Base-Base interactions energy: -919.826 where: short stacking energy: -410.630 Base-Backbone interact. energy: -1.033 local terms energy: -516.362065 where: bonds (distance) C4'-P energy: -109.923 bonds (distance) P-C4' energy: -117.308 flat angles C4'-P-C4' energy: -113.726 flat angles P-C4'-P energy: -68.699 tors. eta vs tors. theta energy: -106.706 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: 7, replica: 3 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1199.018892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.018892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.018892 (E_RNA) where: Base-Base interactions energy: -716.223 where: short stacking energy: -297.612 Base-Backbone interact. energy: -0.140 local terms energy: -482.656399 where: bonds (distance) C4'-P energy: -115.571 bonds (distance) P-C4' energy: -118.856 flat angles C4'-P-C4' energy: -114.021 flat angles P-C4'-P energy: -78.794 tors. eta vs tors. theta energy: -55.414 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: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -986.548262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.548262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.548262 (E_RNA) where: Base-Base interactions energy: -565.669 where: short stacking energy: -296.872 Base-Backbone interact. energy: -1.113 local terms energy: -419.766323 where: bonds (distance) C4'-P energy: -99.074 bonds (distance) P-C4' energy: -108.046 flat angles C4'-P-C4' energy: -94.556 flat angles P-C4'-P energy: -67.705 tors. eta vs tors. theta energy: -50.385 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: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -825.356066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.356066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.356066 (E_RNA) where: Base-Base interactions energy: -493.559 where: short stacking energy: -232.726 Base-Backbone interact. energy: -1.715 local terms energy: -330.082295 where: bonds (distance) C4'-P energy: -84.296 bonds (distance) P-C4' energy: -96.573 flat angles C4'-P-C4' energy: -99.014 flat angles P-C4'-P energy: -58.928 tors. eta vs tors. theta energy: 8.729 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: 10, replica: 2 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -648.854552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.854552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.854552 (E_RNA) where: Base-Base interactions energy: -344.376 where: short stacking energy: -212.719 Base-Backbone interact. energy: 1.588 local terms energy: -306.066067 where: bonds (distance) C4'-P energy: -86.610 bonds (distance) P-C4' energy: -106.802 flat angles C4'-P-C4' energy: -78.036 flat angles P-C4'-P energy: -30.516 tors. eta vs tors. theta energy: -4.102 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: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2005.535326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.535326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.535326 (E_RNA) where: Base-Base interactions energy: -1355.615 where: short stacking energy: -601.107 Base-Backbone interact. energy: -1.481 local terms energy: -648.439919 where: bonds (distance) C4'-P energy: -124.717 bonds (distance) P-C4' energy: -129.433 flat angles C4'-P-C4' energy: -138.522 flat angles P-C4'-P energy: -84.664 tors. eta vs tors. theta energy: -171.104 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: 2, replica: 9 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1885.830906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.830906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.830906 (E_RNA) where: Base-Base interactions energy: -1275.391 where: short stacking energy: -586.415 Base-Backbone interact. energy: 0.649 local terms energy: -611.088953 where: bonds (distance) C4'-P energy: -112.028 bonds (distance) P-C4' energy: -119.780 flat angles C4'-P-C4' energy: -140.508 flat angles P-C4'-P energy: -79.874 tors. eta vs tors. theta energy: -158.898 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: 3, replica: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1787.527434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.527434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.527434 (E_RNA) where: Base-Base interactions energy: -1168.161 where: short stacking energy: -512.533 Base-Backbone interact. energy: -0.487 local terms energy: -618.879169 where: bonds (distance) C4'-P energy: -133.571 bonds (distance) P-C4' energy: -120.220 flat angles C4'-P-C4' energy: -126.258 flat angles P-C4'-P energy: -96.810 tors. eta vs tors. theta energy: -142.019 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: 4, replica: 7 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1634.108204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.108204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.108204 (E_RNA) where: Base-Base interactions energy: -1039.689 where: short stacking energy: -468.957 Base-Backbone interact. energy: 1.418 local terms energy: -595.837368 where: bonds (distance) C4'-P energy: -123.513 bonds (distance) P-C4' energy: -120.522 flat angles C4'-P-C4' energy: -133.111 flat angles P-C4'-P energy: -81.972 tors. eta vs tors. theta energy: -136.720 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: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1498.024648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.024648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.024648 (E_RNA) where: Base-Base interactions energy: -968.757 where: short stacking energy: -436.149 Base-Backbone interact. energy: -0.841 local terms energy: -528.426707 where: bonds (distance) C4'-P energy: -98.839 bonds (distance) P-C4' energy: -120.898 flat angles C4'-P-C4' energy: -122.201 flat angles P-C4'-P energy: -84.290 tors. eta vs tors. theta energy: -102.198 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: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1476.136784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.136784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.136784 (E_RNA) where: Base-Base interactions energy: -963.883 where: short stacking energy: -447.420 Base-Backbone interact. energy: 3.846 local terms energy: -516.100027 where: bonds (distance) C4'-P energy: -106.546 bonds (distance) P-C4' energy: -115.313 flat angles C4'-P-C4' energy: -114.946 flat angles P-C4'-P energy: -78.681 tors. eta vs tors. theta energy: -100.614 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: 7, replica: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1192.157493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.157493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.157493 (E_RNA) where: Base-Base interactions energy: -748.454 where: short stacking energy: -332.447 Base-Backbone interact. energy: -2.757 local terms energy: -440.945557 where: bonds (distance) C4'-P energy: -90.434 bonds (distance) P-C4' energy: -105.425 flat angles C4'-P-C4' energy: -111.563 flat angles P-C4'-P energy: -76.081 tors. eta vs tors. theta energy: -57.442 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: 6 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -940.495074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.495074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.495074 (E_RNA) where: Base-Base interactions energy: -530.916 where: short stacking energy: -294.710 Base-Backbone interact. energy: -5.091 local terms energy: -404.488519 where: bonds (distance) C4'-P energy: -109.216 bonds (distance) P-C4' energy: -108.170 flat angles C4'-P-C4' energy: -92.926 flat angles P-C4'-P energy: -66.406 tors. eta vs tors. theta energy: -27.769 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: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -872.803298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.803298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.803298 (E_RNA) where: Base-Base interactions energy: -496.195 where: short stacking energy: -269.063 Base-Backbone interact. energy: -5.114 local terms energy: -371.494271 where: bonds (distance) C4'-P energy: -100.570 bonds (distance) P-C4' energy: -92.635 flat angles C4'-P-C4' energy: -104.071 flat angles P-C4'-P energy: -51.252 tors. eta vs tors. theta energy: -22.967 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: 2 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -663.536981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.536981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.536981 (E_RNA) where: Base-Base interactions energy: -315.721 where: short stacking energy: -179.143 Base-Backbone interact. energy: -1.059 local terms energy: -346.757210 where: bonds (distance) C4'-P energy: -104.233 bonds (distance) P-C4' energy: -106.171 flat angles C4'-P-C4' energy: -94.921 flat angles P-C4'-P energy: -34.545 tors. eta vs tors. theta energy: -6.888 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: 1, replica: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2034.731592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.731592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.731592 (E_RNA) where: Base-Base interactions energy: -1381.954 where: short stacking energy: -615.075 Base-Backbone interact. energy: -2.520 local terms energy: -650.257091 where: bonds (distance) C4'-P energy: -134.871 bonds (distance) P-C4' energy: -114.823 flat angles C4'-P-C4' energy: -149.127 flat angles P-C4'-P energy: -84.687 tors. eta vs tors. theta energy: -166.748 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: 2, replica: 9 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1907.209131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.209131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.209131 (E_RNA) where: Base-Base interactions energy: -1285.862 where: short stacking energy: -542.749 Base-Backbone interact. energy: -1.399 local terms energy: -619.948580 where: bonds (distance) C4'-P energy: -110.207 bonds (distance) P-C4' energy: -129.158 flat angles C4'-P-C4' energy: -140.934 flat angles P-C4'-P energy: -91.766 tors. eta vs tors. theta energy: -147.883 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: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1756.008775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.008775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.008775 (E_RNA) where: Base-Base interactions energy: -1151.987 where: short stacking energy: -490.851 Base-Backbone interact. energy: -4.955 local terms energy: -599.066771 where: bonds (distance) C4'-P energy: -114.765 bonds (distance) P-C4' energy: -135.823 flat angles C4'-P-C4' energy: -138.045 flat angles P-C4'-P energy: -86.584 tors. eta vs tors. theta energy: -123.850 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: 4, replica: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1680.826064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.826064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.826064 (E_RNA) where: Base-Base interactions energy: -1098.317 where: short stacking energy: -496.878 Base-Backbone interact. energy: 0.878 local terms energy: -583.387218 where: bonds (distance) C4'-P energy: -114.545 bonds (distance) P-C4' energy: -112.222 flat angles C4'-P-C4' energy: -135.192 flat angles P-C4'-P energy: -77.069 tors. eta vs tors. theta energy: -144.359 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: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1529.887864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.887864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.887864 (E_RNA) where: Base-Base interactions energy: -953.540 where: short stacking energy: -424.301 Base-Backbone interact. energy: -0.433 local terms energy: -575.914153 where: bonds (distance) C4'-P energy: -123.794 bonds (distance) P-C4' energy: -123.512 flat angles C4'-P-C4' energy: -138.392 flat angles P-C4'-P energy: -80.346 tors. eta vs tors. theta energy: -109.871 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: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1435.867009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.867009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.867009 (E_RNA) where: Base-Base interactions energy: -903.245 where: short stacking energy: -438.675 Base-Backbone interact. energy: -2.029 local terms energy: -530.592585 where: bonds (distance) C4'-P energy: -110.350 bonds (distance) P-C4' energy: -114.577 flat angles C4'-P-C4' energy: -119.948 flat angles P-C4'-P energy: -63.628 tors. eta vs tors. theta energy: -122.089 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: 7, replica: 3 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1303.118566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.118566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.118566 (E_RNA) where: Base-Base interactions energy: -807.879 where: short stacking energy: -369.162 Base-Backbone interact. energy: -3.679 local terms energy: -491.559980 where: bonds (distance) C4'-P energy: -110.690 bonds (distance) P-C4' energy: -113.209 flat angles C4'-P-C4' energy: -113.008 flat angles P-C4'-P energy: -70.769 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: 8, replica: 6 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -995.244342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.244342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.244342 (E_RNA) where: Base-Base interactions energy: -577.793 where: short stacking energy: -300.578 Base-Backbone interact. energy: -2.319 local terms energy: -415.132565 where: bonds (distance) C4'-P energy: -107.146 bonds (distance) P-C4' energy: -102.344 flat angles C4'-P-C4' energy: -110.970 flat angles P-C4'-P energy: -51.902 tors. eta vs tors. theta energy: -42.771 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: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -922.586692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.586692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.586692 (E_RNA) where: Base-Base interactions energy: -516.600 where: short stacking energy: -254.920 Base-Backbone interact. energy: -0.699 local terms energy: -405.287871 where: bonds (distance) C4'-P energy: -102.104 bonds (distance) P-C4' energy: -102.534 flat angles C4'-P-C4' energy: -111.216 flat angles P-C4'-P energy: -62.549 tors. eta vs tors. theta energy: -26.885 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: 10, replica: 2 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -631.340708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.340708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.340708 (E_RNA) where: Base-Base interactions energy: -292.359 where: short stacking energy: -161.709 Base-Backbone interact. energy: 2.819 local terms energy: -341.800463 where: bonds (distance) C4'-P energy: -94.401 bonds (distance) P-C4' energy: -114.101 flat angles C4'-P-C4' energy: -75.108 flat angles P-C4'-P energy: -58.023 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: 1, replica: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2026.532078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.532078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.532078 (E_RNA) where: Base-Base interactions energy: -1388.765 where: short stacking energy: -603.009 Base-Backbone interact. energy: -2.297 local terms energy: -635.470295 where: bonds (distance) C4'-P energy: -129.384 bonds (distance) P-C4' energy: -115.103 flat angles C4'-P-C4' energy: -139.911 flat angles P-C4'-P energy: -87.488 tors. eta vs tors. theta energy: -163.585 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: 2, replica: 9 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1904.413317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.413317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.413317 (E_RNA) where: Base-Base interactions energy: -1291.946 where: short stacking energy: -593.086 Base-Backbone interact. energy: -2.158 local terms energy: -610.309246 where: bonds (distance) C4'-P energy: -112.548 bonds (distance) P-C4' energy: -110.930 flat angles C4'-P-C4' energy: -138.353 flat angles P-C4'-P energy: -92.358 tors. eta vs tors. theta energy: -156.120 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: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1752.381045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.381045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.381045 (E_RNA) where: Base-Base interactions energy: -1162.717 where: short stacking energy: -502.108 Base-Backbone interact. energy: 1.634 local terms energy: -591.298767 where: bonds (distance) C4'-P energy: -108.904 bonds (distance) P-C4' energy: -133.833 flat angles C4'-P-C4' energy: -129.994 flat angles P-C4'-P energy: -89.607 tors. eta vs tors. theta energy: -128.961 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: 4, replica: 7 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1673.327198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.327198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.327198 (E_RNA) where: Base-Base interactions energy: -1101.754 where: short stacking energy: -482.180 Base-Backbone interact. energy: -1.673 local terms energy: -569.899628 where: bonds (distance) C4'-P energy: -105.287 bonds (distance) P-C4' energy: -116.313 flat angles C4'-P-C4' energy: -129.836 flat angles P-C4'-P energy: -79.904 tors. eta vs tors. theta energy: -138.559 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: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1553.361427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.361427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.361427 (E_RNA) where: Base-Base interactions energy: -1023.810 where: short stacking energy: -451.447 Base-Backbone interact. energy: 4.722 local terms energy: -534.273101 where: bonds (distance) C4'-P energy: -114.003 bonds (distance) P-C4' energy: -96.568 flat angles C4'-P-C4' energy: -118.665 flat angles P-C4'-P energy: -73.375 tors. eta vs tors. theta energy: -131.661 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: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1406.765014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.765014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.765014 (E_RNA) where: Base-Base interactions energy: -878.355 where: short stacking energy: -411.642 Base-Backbone interact. energy: -3.486 local terms energy: -524.923432 where: bonds (distance) C4'-P energy: -107.815 bonds (distance) P-C4' energy: -118.734 flat angles C4'-P-C4' energy: -120.652 flat angles P-C4'-P energy: -66.391 tors. eta vs tors. theta energy: -111.331 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: 7, replica: 3 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1247.146459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.146459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.146459 (E_RNA) where: Base-Base interactions energy: -786.225 where: short stacking energy: -361.403 Base-Backbone interact. energy: 1.021 local terms energy: -461.942497 where: bonds (distance) C4'-P energy: -108.577 bonds (distance) P-C4' energy: -108.091 flat angles C4'-P-C4' energy: -112.287 flat angles P-C4'-P energy: -65.577 tors. eta vs tors. theta energy: -67.411 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: 6 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1043.503302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.503302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.503302 (E_RNA) where: Base-Base interactions energy: -622.199 where: short stacking energy: -301.129 Base-Backbone interact. energy: 0.301 local terms energy: -421.605015 where: bonds (distance) C4'-P energy: -88.796 bonds (distance) P-C4' energy: -120.923 flat angles C4'-P-C4' energy: -99.226 flat angles P-C4'-P energy: -73.252 tors. eta vs tors. theta energy: -39.408 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: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -905.773759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.773759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.773759 (E_RNA) where: Base-Base interactions energy: -507.578 where: short stacking energy: -250.988 Base-Backbone interact. energy: 0.286 local terms energy: -398.481982 where: bonds (distance) C4'-P energy: -113.428 bonds (distance) P-C4' energy: -101.232 flat angles C4'-P-C4' energy: -93.751 flat angles P-C4'-P energy: -53.334 tors. eta vs tors. theta energy: -36.737 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: 2 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -649.375403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.375403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.375403 (E_RNA) where: Base-Base interactions energy: -322.840 where: short stacking energy: -189.399 Base-Backbone interact. energy: 6.523 local terms energy: -333.058751 where: bonds (distance) C4'-P energy: -90.168 bonds (distance) P-C4' energy: -83.949 flat angles C4'-P-C4' energy: -85.254 flat angles P-C4'-P energy: -68.749 tors. eta vs tors. theta energy: -4.938 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: 1, replica: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1957.888347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.888347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.888347 (E_RNA) where: Base-Base interactions energy: -1310.401 where: short stacking energy: -580.153 Base-Backbone interact. energy: -2.906 local terms energy: -644.581569 where: bonds (distance) C4'-P energy: -119.550 bonds (distance) P-C4' energy: -134.076 flat angles C4'-P-C4' energy: -145.828 flat angles P-C4'-P energy: -86.353 tors. eta vs tors. theta energy: -158.774 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: 2, replica: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1954.597782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.597782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.597782 (E_RNA) where: Base-Base interactions energy: -1321.889 where: short stacking energy: -562.033 Base-Backbone interact. energy: -1.967 local terms energy: -630.742565 where: bonds (distance) C4'-P energy: -115.867 bonds (distance) P-C4' energy: -135.981 flat angles C4'-P-C4' energy: -133.182 flat angles P-C4'-P energy: -89.800 tors. eta vs tors. theta energy: -155.913 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: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1750.374399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.374399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.374399 (E_RNA) where: Base-Base interactions energy: -1166.432 where: short stacking energy: -500.650 Base-Backbone interact. energy: -2.081 local terms energy: -581.861056 where: bonds (distance) C4'-P energy: -117.516 bonds (distance) P-C4' energy: -115.951 flat angles C4'-P-C4' energy: -132.543 flat angles P-C4'-P energy: -86.535 tors. eta vs tors. theta energy: -129.317 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: 4, replica: 7 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1667.585402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.585402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.585402 (E_RNA) where: Base-Base interactions energy: -1067.630 where: short stacking energy: -493.932 Base-Backbone interact. energy: -2.976 local terms energy: -596.978928 where: bonds (distance) C4'-P energy: -118.179 bonds (distance) P-C4' energy: -117.771 flat angles C4'-P-C4' energy: -128.520 flat angles P-C4'-P energy: -93.589 tors. eta vs tors. theta energy: -138.922 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: 5, replica: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1586.199206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.199206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.199206 (E_RNA) where: Base-Base interactions energy: -1040.826 where: short stacking energy: -479.346 Base-Backbone interact. energy: -1.753 local terms energy: -543.620231 where: bonds (distance) C4'-P energy: -91.617 bonds (distance) P-C4' energy: -129.430 flat angles C4'-P-C4' energy: -115.809 flat angles P-C4'-P energy: -79.359 tors. eta vs tors. theta energy: -127.406 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: 6, replica: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1428.288476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.288476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.288476 (E_RNA) where: Base-Base interactions energy: -918.893 where: short stacking energy: -424.995 Base-Backbone interact. energy: -0.568 local terms energy: -508.826877 where: bonds (distance) C4'-P energy: -106.873 bonds (distance) P-C4' energy: -117.039 flat angles C4'-P-C4' energy: -127.261 flat angles P-C4'-P energy: -57.940 tors. eta vs tors. theta energy: -99.714 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: 3 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1273.789458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.789458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.789458 (E_RNA) where: Base-Base interactions energy: -798.309 where: short stacking energy: -383.410 Base-Backbone interact. energy: 1.831 local terms energy: -477.310617 where: bonds (distance) C4'-P energy: -102.002 bonds (distance) P-C4' energy: -108.423 flat angles C4'-P-C4' energy: -122.009 flat angles P-C4'-P energy: -53.712 tors. eta vs tors. theta energy: -91.165 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: 8, replica: 6 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -979.687207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.687207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.687207 (E_RNA) where: Base-Base interactions energy: -546.926 where: short stacking energy: -268.277 Base-Backbone interact. energy: 3.992 local terms energy: -436.753922 where: bonds (distance) C4'-P energy: -127.095 bonds (distance) P-C4' energy: -114.215 flat angles C4'-P-C4' energy: -101.530 flat angles P-C4'-P energy: -72.440 tors. eta vs tors. theta energy: -21.474 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: 9, replica: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -827.134804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.134804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.134804 (E_RNA) where: Base-Base interactions energy: -412.772 where: short stacking energy: -231.535 Base-Backbone interact. energy: -2.760 local terms energy: -411.602584 where: bonds (distance) C4'-P energy: -107.411 bonds (distance) P-C4' energy: -109.269 flat angles C4'-P-C4' energy: -99.539 flat angles P-C4'-P energy: -68.867 tors. eta vs tors. theta energy: -26.516 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: 2 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -721.497520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.497520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.497520 (E_RNA) where: Base-Base interactions energy: -340.870 where: short stacking energy: -205.055 Base-Backbone interact. energy: 4.422 local terms energy: -385.049749 where: bonds (distance) C4'-P energy: -120.442 bonds (distance) P-C4' energy: -106.596 flat angles C4'-P-C4' energy: -96.448 flat angles P-C4'-P energy: -57.840 tors. eta vs tors. theta energy: -3.724 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: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1974.977986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.977986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.977986 (E_RNA) where: Base-Base interactions energy: -1308.701 where: short stacking energy: -596.610 Base-Backbone interact. energy: 3.118 local terms energy: -669.395882 where: bonds (distance) C4'-P energy: -129.219 bonds (distance) P-C4' energy: -123.182 flat angles C4'-P-C4' energy: -151.993 flat angles P-C4'-P energy: -98.168 tors. eta vs tors. theta energy: -166.833 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: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1944.324868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.324868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.324868 (E_RNA) where: Base-Base interactions energy: -1320.126 where: short stacking energy: -542.026 Base-Backbone interact. energy: -5.118 local terms energy: -619.081016 where: bonds (distance) C4'-P energy: -112.206 bonds (distance) P-C4' energy: -131.866 flat angles C4'-P-C4' energy: -135.304 flat angles P-C4'-P energy: -79.577 tors. eta vs tors. theta energy: -160.127 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: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1758.000226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.000226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.000226 (E_RNA) where: Base-Base interactions energy: -1188.228 where: short stacking energy: -509.514 Base-Backbone interact. energy: -4.260 local terms energy: -565.512780 where: bonds (distance) C4'-P energy: -108.286 bonds (distance) P-C4' energy: -125.873 flat angles C4'-P-C4' energy: -121.644 flat angles P-C4'-P energy: -83.115 tors. eta vs tors. theta energy: -126.596 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: 4, replica: 7 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1666.670176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.670176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.670176 (E_RNA) where: Base-Base interactions energy: -1098.418 where: short stacking energy: -500.929 Base-Backbone interact. energy: -1.788 local terms energy: -566.464793 where: bonds (distance) C4'-P energy: -123.508 bonds (distance) P-C4' energy: -104.992 flat angles C4'-P-C4' energy: -116.819 flat angles P-C4'-P energy: -83.437 tors. eta vs tors. theta energy: -137.709 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: 5, replica: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1566.070870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.070870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.070870 (E_RNA) where: Base-Base interactions energy: -1052.056 where: short stacking energy: -469.693 Base-Backbone interact. energy: 0.444 local terms energy: -514.458565 where: bonds (distance) C4'-P energy: -99.468 bonds (distance) P-C4' energy: -104.926 flat angles C4'-P-C4' energy: -117.448 flat angles P-C4'-P energy: -77.818 tors. eta vs tors. theta energy: -114.799 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: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1374.453684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.453684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.453684 (E_RNA) where: Base-Base interactions energy: -862.430 where: short stacking energy: -390.168 Base-Backbone interact. energy: -2.736 local terms energy: -509.288153 where: bonds (distance) C4'-P energy: -108.877 bonds (distance) P-C4' energy: -107.098 flat angles C4'-P-C4' energy: -114.607 flat angles P-C4'-P energy: -84.274 tors. eta vs tors. theta energy: -94.432 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: 7, replica: 3 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1171.261020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.261020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.261020 (E_RNA) where: Base-Base interactions energy: -716.790 where: short stacking energy: -330.788 Base-Backbone interact. energy: -3.714 local terms energy: -450.757364 where: bonds (distance) C4'-P energy: -111.483 bonds (distance) P-C4' energy: -97.401 flat angles C4'-P-C4' energy: -112.570 flat angles P-C4'-P energy: -70.354 tors. eta vs tors. theta energy: -58.950 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: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1001.980477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.980477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.980477 (E_RNA) where: Base-Base interactions energy: -589.497 where: short stacking energy: -310.613 Base-Backbone interact. energy: 1.483 local terms energy: -413.966327 where: bonds (distance) C4'-P energy: -112.117 bonds (distance) P-C4' energy: -103.012 flat angles C4'-P-C4' energy: -83.108 flat angles P-C4'-P energy: -56.612 tors. eta vs tors. theta energy: -59.117 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: 9, replica: 8 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -824.642069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.642069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.642069 (E_RNA) where: Base-Base interactions energy: -442.287 where: short stacking energy: -244.719 Base-Backbone interact. energy: 2.328 local terms energy: -384.682815 where: bonds (distance) C4'-P energy: -96.662 bonds (distance) P-C4' energy: -99.550 flat angles C4'-P-C4' energy: -95.422 flat angles P-C4'-P energy: -51.406 tors. eta vs tors. theta energy: -41.642 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: 10, replica: 2 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -661.228306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.228306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.228306 (E_RNA) where: Base-Base interactions energy: -323.884 where: short stacking energy: -169.287 Base-Backbone interact. energy: 6.245 local terms energy: -343.588877 where: bonds (distance) C4'-P energy: -76.755 bonds (distance) P-C4' energy: -118.182 flat angles C4'-P-C4' energy: -103.578 flat angles P-C4'-P energy: -57.029 tors. eta vs tors. theta energy: 11.955 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: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2022.459258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.459258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.459258 (E_RNA) where: Base-Base interactions energy: -1386.743 where: short stacking energy: -614.988 Base-Backbone interact. energy: -0.175 local terms energy: -635.541200 where: bonds (distance) C4'-P energy: -113.365 bonds (distance) P-C4' energy: -127.984 flat angles C4'-P-C4' energy: -131.253 flat angles P-C4'-P energy: -91.681 tors. eta vs tors. theta energy: -171.257 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: 9 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1954.926401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.926401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.926401 (E_RNA) where: Base-Base interactions energy: -1333.833 where: short stacking energy: -604.308 Base-Backbone interact. energy: 3.867 local terms energy: -624.960769 where: bonds (distance) C4'-P energy: -119.939 bonds (distance) P-C4' energy: -121.045 flat angles C4'-P-C4' energy: -143.394 flat angles P-C4'-P energy: -73.342 tors. eta vs tors. theta energy: -167.240 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: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1792.450312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.450312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.450312 (E_RNA) where: Base-Base interactions energy: -1190.831 where: short stacking energy: -497.007 Base-Backbone interact. energy: -1.808 local terms energy: -599.811456 where: bonds (distance) C4'-P energy: -124.246 bonds (distance) P-C4' energy: -123.322 flat angles C4'-P-C4' energy: -129.900 flat angles P-C4'-P energy: -88.940 tors. eta vs tors. theta energy: -133.404 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: 4, replica: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1691.175110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.175110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.175110 (E_RNA) where: Base-Base interactions energy: -1120.844 where: short stacking energy: -509.935 Base-Backbone interact. energy: -5.730 local terms energy: -564.600870 where: bonds (distance) C4'-P energy: -119.649 bonds (distance) P-C4' energy: -108.132 flat angles C4'-P-C4' energy: -128.600 flat angles P-C4'-P energy: -69.337 tors. eta vs tors. theta energy: -138.883 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: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1550.894200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.894200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.894200 (E_RNA) where: Base-Base interactions energy: -1033.351 where: short stacking energy: -441.146 Base-Backbone interact. energy: 1.946 local terms energy: -519.488658 where: bonds (distance) C4'-P energy: -106.018 bonds (distance) P-C4' energy: -115.742 flat angles C4'-P-C4' energy: -115.233 flat angles P-C4'-P energy: -78.645 tors. eta vs tors. theta energy: -103.851 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: 6, replica: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1369.379711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.379711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.379711 (E_RNA) where: Base-Base interactions energy: -864.171 where: short stacking energy: -412.900 Base-Backbone interact. energy: -1.337 local terms energy: -503.872049 where: bonds (distance) C4'-P energy: -103.541 bonds (distance) P-C4' energy: -116.547 flat angles C4'-P-C4' energy: -122.908 flat angles P-C4'-P energy: -63.183 tors. eta vs tors. theta energy: -97.694 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: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1165.449005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.449005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.449005 (E_RNA) where: Base-Base interactions energy: -697.698 where: short stacking energy: -325.912 Base-Backbone interact. energy: 1.836 local terms energy: -469.586711 where: bonds (distance) C4'-P energy: -106.975 bonds (distance) P-C4' energy: -98.460 flat angles C4'-P-C4' energy: -122.857 flat angles P-C4'-P energy: -67.842 tors. eta vs tors. theta energy: -73.453 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: 8, replica: 6 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -990.612582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.612582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.612582 (E_RNA) where: Base-Base interactions energy: -561.514 where: short stacking energy: -289.228 Base-Backbone interact. energy: -0.474 local terms energy: -428.624182 where: bonds (distance) C4'-P energy: -94.409 bonds (distance) P-C4' energy: -105.572 flat angles C4'-P-C4' energy: -105.221 flat angles P-C4'-P energy: -66.286 tors. eta vs tors. theta energy: -57.137 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: 9, replica: 8 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -835.608512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.608512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.608512 (E_RNA) where: Base-Base interactions energy: -466.989 where: short stacking energy: -210.904 Base-Backbone interact. energy: 1.269 local terms energy: -369.888481 where: bonds (distance) C4'-P energy: -107.897 bonds (distance) P-C4' energy: -101.811 flat angles C4'-P-C4' energy: -80.451 flat angles P-C4'-P energy: -57.859 tors. eta vs tors. theta energy: -21.870 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: 2 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -662.287201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.287201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.287201 (E_RNA) where: Base-Base interactions energy: -312.758 where: short stacking energy: -199.607 Base-Backbone interact. energy: 0.595 local terms energy: -350.123607 where: bonds (distance) C4'-P energy: -93.532 bonds (distance) P-C4' energy: -114.961 flat angles C4'-P-C4' energy: -85.488 flat angles P-C4'-P energy: -48.651 tors. eta vs tors. theta energy: -7.492 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: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2010.062584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.062584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.062584 (E_RNA) where: Base-Base interactions energy: -1378.265 where: short stacking energy: -581.306 Base-Backbone interact. energy: 0.315 local terms energy: -632.113398 where: bonds (distance) C4'-P energy: -125.329 bonds (distance) P-C4' energy: -117.474 flat angles C4'-P-C4' energy: -137.323 flat angles P-C4'-P energy: -87.699 tors. eta vs tors. theta energy: -164.289 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: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1939.408899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.408899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.408899 (E_RNA) where: Base-Base interactions energy: -1299.798 where: short stacking energy: -563.860 Base-Backbone interact. energy: -2.294 local terms energy: -637.317258 where: bonds (distance) C4'-P energy: -131.698 bonds (distance) P-C4' energy: -126.717 flat angles C4'-P-C4' energy: -129.630 flat angles P-C4'-P energy: -85.699 tors. eta vs tors. theta energy: -163.573 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: 4 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1816.242781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.242781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.242781 (E_RNA) where: Base-Base interactions energy: -1205.850 where: short stacking energy: -538.913 Base-Backbone interact. energy: -1.555 local terms energy: -608.837853 where: bonds (distance) C4'-P energy: -112.585 bonds (distance) P-C4' energy: -129.611 flat angles C4'-P-C4' energy: -131.913 flat angles P-C4'-P energy: -95.656 tors. eta vs tors. theta energy: -139.073 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: 4, replica: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1659.782422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.782422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.782422 (E_RNA) where: Base-Base interactions energy: -1096.170 where: short stacking energy: -491.570 Base-Backbone interact. energy: -0.160 local terms energy: -563.452607 where: bonds (distance) C4'-P energy: -117.332 bonds (distance) P-C4' energy: -99.932 flat angles C4'-P-C4' energy: -129.980 flat angles P-C4'-P energy: -89.178 tors. eta vs tors. theta energy: -127.030 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: 5, replica: 10 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1550.965359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.965359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.965359 (E_RNA) where: Base-Base interactions energy: -1030.033 where: short stacking energy: -440.887 Base-Backbone interact. energy: -0.802 local terms energy: -520.129996 where: bonds (distance) C4'-P energy: -104.397 bonds (distance) P-C4' energy: -113.555 flat angles C4'-P-C4' energy: -117.324 flat angles P-C4'-P energy: -73.312 tors. eta vs tors. theta energy: -111.541 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: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1389.857729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.857729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.857729 (E_RNA) where: Base-Base interactions energy: -889.855 where: short stacking energy: -436.829 Base-Backbone interact. energy: -1.714 local terms energy: -498.289271 where: bonds (distance) C4'-P energy: -89.728 bonds (distance) P-C4' energy: -108.633 flat angles C4'-P-C4' energy: -124.749 flat angles P-C4'-P energy: -72.221 tors. eta vs tors. theta energy: -102.959 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: 7, replica: 3 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1126.039339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.039339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.039339 (E_RNA) where: Base-Base interactions energy: -680.948 where: short stacking energy: -341.037 Base-Backbone interact. energy: 0.430 local terms energy: -445.521171 where: bonds (distance) C4'-P energy: -91.680 bonds (distance) P-C4' energy: -86.406 flat angles C4'-P-C4' energy: -119.266 flat angles P-C4'-P energy: -77.132 tors. eta vs tors. theta energy: -71.038 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: 8, replica: 6 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -986.361458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.361458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.361458 (E_RNA) where: Base-Base interactions energy: -577.139 where: short stacking energy: -273.387 Base-Backbone interact. energy: 3.086 local terms energy: -412.308373 where: bonds (distance) C4'-P energy: -108.128 bonds (distance) P-C4' energy: -109.811 flat angles C4'-P-C4' energy: -94.377 flat angles P-C4'-P energy: -54.235 tors. eta vs tors. theta energy: -45.756 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: 8 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -913.206963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.206963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.206963 (E_RNA) where: Base-Base interactions energy: -518.766 where: short stacking energy: -263.322 Base-Backbone interact. energy: 3.282 local terms energy: -397.722539 where: bonds (distance) C4'-P energy: -114.873 bonds (distance) P-C4' energy: -108.638 flat angles C4'-P-C4' energy: -88.474 flat angles P-C4'-P energy: -49.959 tors. eta vs tors. theta energy: -35.778 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: 2 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -686.292651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.292651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.292651 (E_RNA) where: Base-Base interactions energy: -341.410 where: short stacking energy: -176.750 Base-Backbone interact. energy: 6.450 local terms energy: -351.333024 where: bonds (distance) C4'-P energy: -96.157 bonds (distance) P-C4' energy: -103.811 flat angles C4'-P-C4' energy: -95.986 flat angles P-C4'-P energy: -55.661 tors. eta vs tors. theta energy: 0.282 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: 1, replica: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2054.642194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.642194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.642194 (E_RNA) where: Base-Base interactions energy: -1405.201 where: short stacking energy: -598.779 Base-Backbone interact. energy: 0.479 local terms energy: -649.920294 where: bonds (distance) C4'-P energy: -112.781 bonds (distance) P-C4' energy: -136.644 flat angles C4'-P-C4' energy: -144.911 flat angles P-C4'-P energy: -87.512 tors. eta vs tors. theta energy: -168.073 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: 2, replica: 9 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1977.680123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.680123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.680123 (E_RNA) where: Base-Base interactions energy: -1346.046 where: short stacking energy: -566.440 Base-Backbone interact. energy: -0.740 local terms energy: -630.894307 where: bonds (distance) C4'-P energy: -119.970 bonds (distance) P-C4' energy: -123.872 flat angles C4'-P-C4' energy: -139.395 flat angles P-C4'-P energy: -93.142 tors. eta vs tors. theta energy: -154.515 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: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1771.222991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.222991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.222991 (E_RNA) where: Base-Base interactions energy: -1226.507 where: short stacking energy: -535.306 Base-Backbone interact. energy: -2.665 local terms energy: -542.051393 where: bonds (distance) C4'-P energy: -103.589 bonds (distance) P-C4' energy: -97.588 flat angles C4'-P-C4' energy: -119.021 flat angles P-C4'-P energy: -73.299 tors. eta vs tors. theta energy: -148.554 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: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1644.758157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.758157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.758157 (E_RNA) where: Base-Base interactions energy: -1072.599 where: short stacking energy: -510.853 Base-Backbone interact. energy: 0.431 local terms energy: -572.589740 where: bonds (distance) C4'-P energy: -112.688 bonds (distance) P-C4' energy: -111.243 flat angles C4'-P-C4' energy: -128.564 flat angles P-C4'-P energy: -70.760 tors. eta vs tors. theta energy: -149.334 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: 5, replica: 10 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1551.932191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.932191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.932191 (E_RNA) where: Base-Base interactions energy: -1025.097 where: short stacking energy: -463.011 Base-Backbone interact. energy: 2.305 local terms energy: -529.140877 where: bonds (distance) C4'-P energy: -121.527 bonds (distance) P-C4' energy: -106.770 flat angles C4'-P-C4' energy: -116.836 flat angles P-C4'-P energy: -74.822 tors. eta vs tors. theta energy: -109.186 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: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1401.168365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.168365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.168365 (E_RNA) where: Base-Base interactions energy: -893.947 where: short stacking energy: -406.489 Base-Backbone interact. energy: 1.368 local terms energy: -508.589461 where: bonds (distance) C4'-P energy: -112.666 bonds (distance) P-C4' energy: -116.465 flat angles C4'-P-C4' energy: -112.760 flat angles P-C4'-P energy: -76.624 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: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1066.424415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.424415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.424415 (E_RNA) where: Base-Base interactions energy: -622.559 where: short stacking energy: -292.632 Base-Backbone interact. energy: 0.944 local terms energy: -444.809626 where: bonds (distance) C4'-P energy: -96.031 bonds (distance) P-C4' energy: -112.417 flat angles C4'-P-C4' energy: -115.312 flat angles P-C4'-P energy: -70.140 tors. eta vs tors. theta energy: -50.910 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: 8, replica: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1000.309551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.309551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.309551 (E_RNA) where: Base-Base interactions energy: -601.104 where: short stacking energy: -276.930 Base-Backbone interact. energy: 1.365 local terms energy: -400.570393 where: bonds (distance) C4'-P energy: -99.511 bonds (distance) P-C4' energy: -100.769 flat angles C4'-P-C4' energy: -113.320 flat angles P-C4'-P energy: -54.725 tors. eta vs tors. theta energy: -32.244 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: 9, replica: 8 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -891.371454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.371454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.371454 (E_RNA) where: Base-Base interactions energy: -530.613 where: short stacking energy: -268.280 Base-Backbone interact. energy: 3.063 local terms energy: -363.821539 where: bonds (distance) C4'-P energy: -96.786 bonds (distance) P-C4' energy: -93.261 flat angles C4'-P-C4' energy: -94.559 flat angles P-C4'-P energy: -75.285 tors. eta vs tors. theta energy: -3.931 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: 10, replica: 2 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -674.445757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.445757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.445757 (E_RNA) where: Base-Base interactions energy: -334.319 where: short stacking energy: -194.770 Base-Backbone interact. energy: 3.074 local terms energy: -343.201335 where: bonds (distance) C4'-P energy: -87.964 bonds (distance) P-C4' energy: -105.717 flat angles C4'-P-C4' energy: -92.476 flat angles P-C4'-P energy: -52.719 tors. eta vs tors. theta energy: -4.325 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: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2038.639091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.639091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.639091 (E_RNA) where: Base-Base interactions energy: -1385.206 where: short stacking energy: -583.742 Base-Backbone interact. energy: -3.352 local terms energy: -650.080892 where: bonds (distance) C4'-P energy: -131.848 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -138.972 flat angles P-C4'-P energy: -80.869 tors. eta vs tors. theta energy: -166.878 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: 2, replica: 9 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1955.378862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.378862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.378862 (E_RNA) where: Base-Base interactions energy: -1309.164 where: short stacking energy: -550.357 Base-Backbone interact. energy: -1.773 local terms energy: -644.442547 where: bonds (distance) C4'-P energy: -131.464 bonds (distance) P-C4' energy: -115.606 flat angles C4'-P-C4' energy: -138.350 flat angles P-C4'-P energy: -87.407 tors. eta vs tors. theta energy: -171.615 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: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1826.519930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.519930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.519930 (E_RNA) where: Base-Base interactions energy: -1232.112 where: short stacking energy: -518.744 Base-Backbone interact. energy: 0.022 local terms energy: -594.429739 where: bonds (distance) C4'-P energy: -112.807 bonds (distance) P-C4' energy: -117.103 flat angles C4'-P-C4' energy: -147.860 flat angles P-C4'-P energy: -84.626 tors. eta vs tors. theta energy: -132.033 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: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1646.861400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.861400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.861400 (E_RNA) where: Base-Base interactions energy: -1048.083 where: short stacking energy: -479.339 Base-Backbone interact. energy: 1.849 local terms energy: -600.626788 where: bonds (distance) C4'-P energy: -123.106 bonds (distance) P-C4' energy: -118.256 flat angles C4'-P-C4' energy: -141.057 flat angles P-C4'-P energy: -86.514 tors. eta vs tors. theta energy: -131.694 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: 5, replica: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1606.940086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.940086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.940086 (E_RNA) where: Base-Base interactions energy: -1088.256 where: short stacking energy: -487.480 Base-Backbone interact. energy: 0.297 local terms energy: -518.981357 where: bonds (distance) C4'-P energy: -107.587 bonds (distance) P-C4' energy: -109.534 flat angles C4'-P-C4' energy: -128.248 flat angles P-C4'-P energy: -67.021 tors. eta vs tors. theta energy: -106.591 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: 6, replica: 1 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1315.173884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.173884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.173884 (E_RNA) where: Base-Base interactions energy: -798.548 where: short stacking energy: -361.152 Base-Backbone interact. energy: -2.547 local terms energy: -514.079034 where: bonds (distance) C4'-P energy: -108.387 bonds (distance) P-C4' energy: -126.830 flat angles C4'-P-C4' energy: -109.944 flat angles P-C4'-P energy: -76.815 tors. eta vs tors. theta energy: -92.103 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: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1056.993282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.993282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.993282 (E_RNA) where: Base-Base interactions energy: -621.105 where: short stacking energy: -294.796 Base-Backbone interact. energy: 0.696 local terms energy: -436.584115 where: bonds (distance) C4'-P energy: -93.283 bonds (distance) P-C4' energy: -110.168 flat angles C4'-P-C4' energy: -111.652 flat angles P-C4'-P energy: -66.445 tors. eta vs tors. theta energy: -55.036 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: 8, replica: 6 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1046.781980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.781980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.781980 (E_RNA) where: Base-Base interactions energy: -623.524 where: short stacking energy: -290.342 Base-Backbone interact. energy: -2.843 local terms energy: -420.414525 where: bonds (distance) C4'-P energy: -104.836 bonds (distance) P-C4' energy: -108.205 flat angles C4'-P-C4' energy: -107.189 flat angles P-C4'-P energy: -65.889 tors. eta vs tors. theta energy: -34.296 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: 8 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -913.430355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.430355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.430355 (E_RNA) where: Base-Base interactions energy: -499.287 where: short stacking energy: -240.171 Base-Backbone interact. energy: 0.786 local terms energy: -414.929049 where: bonds (distance) C4'-P energy: -105.965 bonds (distance) P-C4' energy: -115.393 flat angles C4'-P-C4' energy: -118.780 flat angles P-C4'-P energy: -59.714 tors. eta vs tors. theta energy: -15.077 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: 10, replica: 2 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -671.629975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.629975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.629975 (E_RNA) where: Base-Base interactions energy: -326.279 where: short stacking energy: -193.221 Base-Backbone interact. energy: 1.867 local terms energy: -347.218386 where: bonds (distance) C4'-P energy: -82.674 bonds (distance) P-C4' energy: -111.363 flat angles C4'-P-C4' energy: -88.704 flat angles P-C4'-P energy: -59.257 tors. eta vs tors. theta energy: -5.220 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: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2041.357262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.357262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.357262 (E_RNA) where: Base-Base interactions energy: -1403.833 where: short stacking energy: -568.708 Base-Backbone interact. energy: -1.833 local terms energy: -635.691407 where: bonds (distance) C4'-P energy: -131.306 bonds (distance) P-C4' energy: -126.658 flat angles C4'-P-C4' energy: -137.482 flat angles P-C4'-P energy: -79.007 tors. eta vs tors. theta energy: -161.239 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: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1976.042314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.042314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.042314 (E_RNA) where: Base-Base interactions energy: -1348.957 where: short stacking energy: -570.401 Base-Backbone interact. energy: 1.062 local terms energy: -628.146860 where: bonds (distance) C4'-P energy: -101.554 bonds (distance) P-C4' energy: -114.277 flat angles C4'-P-C4' energy: -145.014 flat angles P-C4'-P energy: -100.142 tors. eta vs tors. theta energy: -167.160 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: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1809.712928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.712928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.712928 (E_RNA) where: Base-Base interactions energy: -1230.692 where: short stacking energy: -527.886 Base-Backbone interact. energy: 1.751 local terms energy: -580.771998 where: bonds (distance) C4'-P energy: -110.383 bonds (distance) P-C4' energy: -123.241 flat angles C4'-P-C4' energy: -125.736 flat angles P-C4'-P energy: -90.584 tors. eta vs tors. theta energy: -130.829 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: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1669.987361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.987361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.987361 (E_RNA) where: Base-Base interactions energy: -1085.853 where: short stacking energy: -488.783 Base-Backbone interact. energy: -4.116 local terms energy: -580.018230 where: bonds (distance) C4'-P energy: -121.629 bonds (distance) P-C4' energy: -113.989 flat angles C4'-P-C4' energy: -130.278 flat angles P-C4'-P energy: -81.631 tors. eta vs tors. theta energy: -132.491 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: 5, replica: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1648.582067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.582067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.582067 (E_RNA) where: Base-Base interactions energy: -1094.220 where: short stacking energy: -483.078 Base-Backbone interact. energy: 0.590 local terms energy: -554.952008 where: bonds (distance) C4'-P energy: -104.796 bonds (distance) P-C4' energy: -113.693 flat angles C4'-P-C4' energy: -135.499 flat angles P-C4'-P energy: -81.702 tors. eta vs tors. theta energy: -119.262 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: 6, replica: 1 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1360.658322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.658322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.658322 (E_RNA) where: Base-Base interactions energy: -887.838 where: short stacking energy: -411.355 Base-Backbone interact. energy: -2.147 local terms energy: -470.673753 where: bonds (distance) C4'-P energy: -94.717 bonds (distance) P-C4' energy: -102.041 flat angles C4'-P-C4' energy: -120.213 flat angles P-C4'-P energy: -61.706 tors. eta vs tors. theta energy: -91.997 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: 7, replica: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1066.278591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.278591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.278591 (E_RNA) where: Base-Base interactions energy: -629.948 where: short stacking energy: -287.388 Base-Backbone interact. energy: -2.717 local terms energy: -433.612943 where: bonds (distance) C4'-P energy: -110.497 bonds (distance) P-C4' energy: -106.048 flat angles C4'-P-C4' energy: -102.493 flat angles P-C4'-P energy: -76.285 tors. eta vs tors. theta energy: -38.290 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: 8, replica: 3 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -977.927025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.927025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.927025 (E_RNA) where: Base-Base interactions energy: -555.952 where: short stacking energy: -273.580 Base-Backbone interact. energy: -2.061 local terms energy: -419.913696 where: bonds (distance) C4'-P energy: -101.476 bonds (distance) P-C4' energy: -86.829 flat angles C4'-P-C4' energy: -110.492 flat angles P-C4'-P energy: -70.106 tors. eta vs tors. theta energy: -51.011 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: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -932.074819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.074819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.074819 (E_RNA) where: Base-Base interactions energy: -537.634 where: short stacking energy: -265.272 Base-Backbone interact. energy: 4.314 local terms energy: -398.754838 where: bonds (distance) C4'-P energy: -106.679 bonds (distance) P-C4' energy: -115.452 flat angles C4'-P-C4' energy: -79.438 flat angles P-C4'-P energy: -57.849 tors. eta vs tors. theta energy: -39.337 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: 2 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -664.597780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.597780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.597780 (E_RNA) where: Base-Base interactions energy: -326.351 where: short stacking energy: -186.946 Base-Backbone interact. energy: -0.373 local terms energy: -337.873807 where: bonds (distance) C4'-P energy: -89.212 bonds (distance) P-C4' energy: -114.314 flat angles C4'-P-C4' energy: -90.920 flat angles P-C4'-P energy: -49.357 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: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2024.835234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.835234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.835234 (E_RNA) where: Base-Base interactions energy: -1384.783 where: short stacking energy: -575.013 Base-Backbone interact. energy: -5.246 local terms energy: -634.806198 where: bonds (distance) C4'-P energy: -121.541 bonds (distance) P-C4' energy: -126.092 flat angles C4'-P-C4' energy: -133.746 flat angles P-C4'-P energy: -94.842 tors. eta vs tors. theta energy: -158.585 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: 2, replica: 9 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1968.721410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.721410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.721410 (E_RNA) where: Base-Base interactions energy: -1323.989 where: short stacking energy: -572.831 Base-Backbone interact. energy: 1.542 local terms energy: -646.274088 where: bonds (distance) C4'-P energy: -123.284 bonds (distance) P-C4' energy: -120.760 flat angles C4'-P-C4' energy: -139.019 flat angles P-C4'-P energy: -98.897 tors. eta vs tors. theta energy: -164.314 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: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1819.897629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.897629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.897629 (E_RNA) where: Base-Base interactions energy: -1237.064 where: short stacking energy: -525.606 Base-Backbone interact. energy: -1.308 local terms energy: -581.525887 where: bonds (distance) C4'-P energy: -100.517 bonds (distance) P-C4' energy: -115.968 flat angles C4'-P-C4' energy: -135.464 flat angles P-C4'-P energy: -78.674 tors. eta vs tors. theta energy: -150.903 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: 4, replica: 10 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1654.970925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.970925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.970925 (E_RNA) where: Base-Base interactions energy: -1078.617 where: short stacking energy: -491.078 Base-Backbone interact. energy: 1.810 local terms energy: -578.163775 where: bonds (distance) C4'-P energy: -113.459 bonds (distance) P-C4' energy: -122.207 flat angles C4'-P-C4' energy: -139.421 flat angles P-C4'-P energy: -70.172 tors. eta vs tors. theta energy: -132.905 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: 61 Temperature: 1.100000 Total energy: -1534.829633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.829633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.829633 (E_RNA) where: Base-Base interactions energy: -984.751 where: short stacking energy: -448.438 Base-Backbone interact. energy: -4.336 local terms energy: -545.741726 where: bonds (distance) C4'-P energy: -116.295 bonds (distance) P-C4' energy: -110.817 flat angles C4'-P-C4' energy: -120.578 flat angles P-C4'-P energy: -79.975 tors. eta vs tors. theta energy: -118.078 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: 6, replica: 1 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1360.106935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.106935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.106935 (E_RNA) where: Base-Base interactions energy: -873.763 where: short stacking energy: -414.794 Base-Backbone interact. energy: -1.872 local terms energy: -484.471518 where: bonds (distance) C4'-P energy: -98.388 bonds (distance) P-C4' energy: -112.547 flat angles C4'-P-C4' energy: -103.714 flat angles P-C4'-P energy: -70.971 tors. eta vs tors. theta energy: -98.852 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: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1124.078325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.078325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.078325 (E_RNA) where: Base-Base interactions energy: -683.896 where: short stacking energy: -323.860 Base-Backbone interact. energy: -2.355 local terms energy: -437.827289 where: bonds (distance) C4'-P energy: -112.624 bonds (distance) P-C4' energy: -104.468 flat angles C4'-P-C4' energy: -113.604 flat angles P-C4'-P energy: -64.828 tors. eta vs tors. theta energy: -42.302 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: 8, replica: 3 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1036.526600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.526600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.526600 (E_RNA) where: Base-Base interactions energy: -607.194 where: short stacking energy: -287.434 Base-Backbone interact. energy: 1.035 local terms energy: -430.367210 where: bonds (distance) C4'-P energy: -116.921 bonds (distance) P-C4' energy: -104.177 flat angles C4'-P-C4' energy: -101.436 flat angles P-C4'-P energy: -61.969 tors. eta vs tors. theta energy: -45.865 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: 8 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -896.284166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.284166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.284166 (E_RNA) where: Base-Base interactions energy: -539.389 where: short stacking energy: -267.545 Base-Backbone interact. energy: -6.318 local terms energy: -350.576788 where: bonds (distance) C4'-P energy: -95.719 bonds (distance) P-C4' energy: -101.404 flat angles C4'-P-C4' energy: -97.729 flat angles P-C4'-P energy: -40.706 tors. eta vs tors. theta energy: -15.018 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: 2 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -670.396888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.396888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.396888 (E_RNA) where: Base-Base interactions energy: -305.458 where: short stacking energy: -184.667 Base-Backbone interact. energy: 4.537 local terms energy: -369.475720 where: bonds (distance) C4'-P energy: -92.275 bonds (distance) P-C4' energy: -112.335 flat angles C4'-P-C4' energy: -114.051 flat angles P-C4'-P energy: -48.264 tors. eta vs tors. theta energy: -2.551 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: 1, replica: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2043.907849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.907849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.907849 (E_RNA) where: Base-Base interactions energy: -1404.991 where: short stacking energy: -594.158 Base-Backbone interact. energy: 1.856 local terms energy: -640.771990 where: bonds (distance) C4'-P energy: -135.748 bonds (distance) P-C4' energy: -116.787 flat angles C4'-P-C4' energy: -138.963 flat angles P-C4'-P energy: -87.203 tors. eta vs tors. theta energy: -162.070 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: 9 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1958.618400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.618400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.618400 (E_RNA) where: Base-Base interactions energy: -1321.582 where: short stacking energy: -580.495 Base-Backbone interact. energy: -1.930 local terms energy: -635.106104 where: bonds (distance) C4'-P energy: -121.769 bonds (distance) P-C4' energy: -127.729 flat angles C4'-P-C4' energy: -128.591 flat angles P-C4'-P energy: -93.950 tors. eta vs tors. theta energy: -163.066 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: 62 Temperature: 1.000000 Total energy: -1793.815238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.815238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.815238 (E_RNA) where: Base-Base interactions energy: -1237.243 where: short stacking energy: -532.868 Base-Backbone interact. energy: -4.051 local terms energy: -552.521726 where: bonds (distance) C4'-P energy: -118.514 bonds (distance) P-C4' energy: -105.354 flat angles C4'-P-C4' energy: -132.993 flat angles P-C4'-P energy: -61.777 tors. eta vs tors. theta energy: -133.884 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: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1644.634736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.634736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.634736 (E_RNA) where: Base-Base interactions energy: -1077.262 where: short stacking energy: -498.687 Base-Backbone interact. energy: -0.037 local terms energy: -567.335185 where: bonds (distance) C4'-P energy: -116.445 bonds (distance) P-C4' energy: -117.022 flat angles C4'-P-C4' energy: -130.558 flat angles P-C4'-P energy: -79.406 tors. eta vs tors. theta energy: -123.904 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: 5, replica: 7 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1586.995706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.995706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.995706 (E_RNA) where: Base-Base interactions energy: -1068.244 where: short stacking energy: -495.760 Base-Backbone interact. energy: -1.068 local terms energy: -517.683301 where: bonds (distance) C4'-P energy: -109.524 bonds (distance) P-C4' energy: -98.102 flat angles C4'-P-C4' energy: -122.653 flat angles P-C4'-P energy: -50.115 tors. eta vs tors. theta energy: -137.289 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: 1 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1297.438059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.438059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.438059 (E_RNA) where: Base-Base interactions energy: -791.086 where: short stacking energy: -372.113 Base-Backbone interact. energy: -1.458 local terms energy: -504.894042 where: bonds (distance) C4'-P energy: -117.378 bonds (distance) P-C4' energy: -115.667 flat angles C4'-P-C4' energy: -109.533 flat angles P-C4'-P energy: -72.299 tors. eta vs tors. theta energy: -90.017 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: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1129.578414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.578414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.578414 (E_RNA) where: Base-Base interactions energy: -678.597 where: short stacking energy: -304.062 Base-Backbone interact. energy: -2.712 local terms energy: -448.269265 where: bonds (distance) C4'-P energy: -109.315 bonds (distance) P-C4' energy: -93.184 flat angles C4'-P-C4' energy: -108.487 flat angles P-C4'-P energy: -80.096 tors. eta vs tors. theta energy: -57.186 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: 8, replica: 3 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1017.462341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.462341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.462341 (E_RNA) where: Base-Base interactions energy: -565.976 where: short stacking energy: -281.001 Base-Backbone interact. energy: -1.089 local terms energy: -450.397408 where: bonds (distance) C4'-P energy: -106.222 bonds (distance) P-C4' energy: -123.860 flat angles C4'-P-C4' energy: -93.077 flat angles P-C4'-P energy: -64.086 tors. eta vs tors. theta energy: -63.153 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: 8 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -845.816118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.816118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.816118 (E_RNA) where: Base-Base interactions energy: -475.593 where: short stacking energy: -228.160 Base-Backbone interact. energy: 1.383 local terms energy: -371.605903 where: bonds (distance) C4'-P energy: -104.886 bonds (distance) P-C4' energy: -104.814 flat angles C4'-P-C4' energy: -98.173 flat angles P-C4'-P energy: -47.584 tors. eta vs tors. theta energy: -16.148 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: 2 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -669.465262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.465262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.465262 (E_RNA) where: Base-Base interactions energy: -318.653 where: short stacking energy: -154.477 Base-Backbone interact. energy: -3.943 local terms energy: -346.868529 where: bonds (distance) C4'-P energy: -101.218 bonds (distance) P-C4' energy: -110.185 flat angles C4'-P-C4' energy: -79.120 flat angles P-C4'-P energy: -52.319 tors. eta vs tors. theta energy: -4.027 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: 1, replica: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2056.942453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.942453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.942453 (E_RNA) where: Base-Base interactions energy: -1418.285 where: short stacking energy: -577.704 Base-Backbone interact. energy: -3.009 local terms energy: -635.648062 where: bonds (distance) C4'-P energy: -120.546 bonds (distance) P-C4' energy: -118.513 flat angles C4'-P-C4' energy: -144.813 flat angles P-C4'-P energy: -91.348 tors. eta vs tors. theta energy: -160.428 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: 2, replica: 9 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1959.068000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.068000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.068000 (E_RNA) where: Base-Base interactions energy: -1328.383 where: short stacking energy: -586.750 Base-Backbone interact. energy: -3.668 local terms energy: -627.016841 where: bonds (distance) C4'-P energy: -122.955 bonds (distance) P-C4' energy: -122.697 flat angles C4'-P-C4' energy: -127.073 flat angles P-C4'-P energy: -89.424 tors. eta vs tors. theta energy: -164.868 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: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1829.903574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.903574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.903574 (E_RNA) where: Base-Base interactions energy: -1242.475 where: short stacking energy: -550.202 Base-Backbone interact. energy: -3.821 local terms energy: -583.608373 where: bonds (distance) C4'-P energy: -123.525 bonds (distance) P-C4' energy: -116.063 flat angles C4'-P-C4' energy: -125.135 flat angles P-C4'-P energy: -77.249 tors. eta vs tors. theta energy: -141.636 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: 4, replica: 10 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1651.655431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.655431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.655431 (E_RNA) where: Base-Base interactions energy: -1091.038 where: short stacking energy: -487.399 Base-Backbone interact. energy: 0.012 local terms energy: -560.629097 where: bonds (distance) C4'-P energy: -106.586 bonds (distance) P-C4' energy: -116.319 flat angles C4'-P-C4' energy: -129.823 flat angles P-C4'-P energy: -85.640 tors. eta vs tors. theta energy: -122.262 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: 5, replica: 7 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1577.830123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.830123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.830123 (E_RNA) where: Base-Base interactions energy: -1024.970 where: short stacking energy: -459.356 Base-Backbone interact. energy: 1.851 local terms energy: -554.710280 where: bonds (distance) C4'-P energy: -107.774 bonds (distance) P-C4' energy: -111.353 flat angles C4'-P-C4' energy: -121.553 flat angles P-C4'-P energy: -93.354 tors. eta vs tors. theta energy: -120.677 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: 6, replica: 1 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1294.991107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.991107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.991107 (E_RNA) where: Base-Base interactions energy: -846.225 where: short stacking energy: -370.072 Base-Backbone interact. energy: -2.261 local terms energy: -446.505054 where: bonds (distance) C4'-P energy: -104.408 bonds (distance) P-C4' energy: -103.507 flat angles C4'-P-C4' energy: -109.812 flat angles P-C4'-P energy: -59.384 tors. eta vs tors. theta energy: -69.393 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: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1186.809474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.809474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.809474 (E_RNA) where: Base-Base interactions energy: -743.883 where: short stacking energy: -310.174 Base-Backbone interact. energy: 1.453 local terms energy: -444.379113 where: bonds (distance) C4'-P energy: -110.354 bonds (distance) P-C4' energy: -111.317 flat angles C4'-P-C4' energy: -101.274 flat angles P-C4'-P energy: -67.702 tors. eta vs tors. theta energy: -53.732 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: 8, replica: 3 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1000.823501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.823501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.823501 (E_RNA) where: Base-Base interactions energy: -585.195 where: short stacking energy: -273.913 Base-Backbone interact. energy: -2.962 local terms energy: -412.666713 where: bonds (distance) C4'-P energy: -104.339 bonds (distance) P-C4' energy: -101.933 flat angles C4'-P-C4' energy: -109.536 flat angles P-C4'-P energy: -54.695 tors. eta vs tors. theta energy: -42.164 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: 9, replica: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -921.467700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.467700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.467700 (E_RNA) where: Base-Base interactions energy: -530.050 where: short stacking energy: -275.137 Base-Backbone interact. energy: 1.215 local terms energy: -392.632339 where: bonds (distance) C4'-P energy: -82.749 bonds (distance) P-C4' energy: -106.149 flat angles C4'-P-C4' energy: -101.381 flat angles P-C4'-P energy: -59.542 tors. eta vs tors. theta energy: -42.812 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: 10, replica: 2 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -702.773804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.773804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.773804 (E_RNA) where: Base-Base interactions energy: -347.163 where: short stacking energy: -198.877 Base-Backbone interact. energy: -0.292 local terms energy: -355.318712 where: bonds (distance) C4'-P energy: -91.042 bonds (distance) P-C4' energy: -102.640 flat angles C4'-P-C4' energy: -91.410 flat angles P-C4'-P energy: -65.152 tors. eta vs tors. theta energy: -5.074 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: 1, replica: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2029.317838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.317838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.317838 (E_RNA) where: Base-Base interactions energy: -1386.305 where: short stacking energy: -561.778 Base-Backbone interact. energy: -0.012 local terms energy: -643.001036 where: bonds (distance) C4'-P energy: -114.120 bonds (distance) P-C4' energy: -138.757 flat angles C4'-P-C4' energy: -140.965 flat angles P-C4'-P energy: -91.066 tors. eta vs tors. theta energy: -158.093 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: 2, replica: 9 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1959.198240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.198240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.198240 (E_RNA) where: Base-Base interactions energy: -1329.141 where: short stacking energy: -580.431 Base-Backbone interact. energy: -2.332 local terms energy: -627.724816 where: bonds (distance) C4'-P energy: -117.782 bonds (distance) P-C4' energy: -122.346 flat angles C4'-P-C4' energy: -136.302 flat angles P-C4'-P energy: -87.598 tors. eta vs tors. theta energy: -163.696 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: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1790.617117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.617117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.617117 (E_RNA) where: Base-Base interactions energy: -1198.073 where: short stacking energy: -513.307 Base-Backbone interact. energy: -1.552 local terms energy: -590.991378 where: bonds (distance) C4'-P energy: -119.364 bonds (distance) P-C4' energy: -116.912 flat angles C4'-P-C4' energy: -132.023 flat angles P-C4'-P energy: -92.899 tors. eta vs tors. theta energy: -129.794 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: 4, replica: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1642.095081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.095081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.095081 (E_RNA) where: Base-Base interactions energy: -1091.763 where: short stacking energy: -491.439 Base-Backbone interact. energy: -3.741 local terms energy: -546.591011 where: bonds (distance) C4'-P energy: -111.976 bonds (distance) P-C4' energy: -107.082 flat angles C4'-P-C4' energy: -124.548 flat angles P-C4'-P energy: -76.540 tors. eta vs tors. theta energy: -126.445 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: 64 Temperature: 1.100000 Total energy: -1543.699273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.699273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.699273 (E_RNA) where: Base-Base interactions energy: -1003.149 where: short stacking energy: -454.007 Base-Backbone interact. energy: -2.285 local terms energy: -538.265913 where: bonds (distance) C4'-P energy: -99.539 bonds (distance) P-C4' energy: -112.907 flat angles C4'-P-C4' energy: -114.968 flat angles P-C4'-P energy: -78.970 tors. eta vs tors. theta energy: -131.882 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: 1 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1264.068234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.068234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.068234 (E_RNA) where: Base-Base interactions energy: -795.157 where: short stacking energy: -360.909 Base-Backbone interact. energy: 0.734 local terms energy: -469.644670 where: bonds (distance) C4'-P energy: -100.545 bonds (distance) P-C4' energy: -124.831 flat angles C4'-P-C4' energy: -120.572 flat angles P-C4'-P energy: -59.313 tors. eta vs tors. theta energy: -64.384 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: 7, replica: 6 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1144.714714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.714714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.714714 (E_RNA) where: Base-Base interactions energy: -685.589 where: short stacking energy: -325.734 Base-Backbone interact. energy: -2.957 local terms energy: -456.168784 where: bonds (distance) C4'-P energy: -110.400 bonds (distance) P-C4' energy: -111.391 flat angles C4'-P-C4' energy: -108.316 flat angles P-C4'-P energy: -75.129 tors. eta vs tors. theta energy: -50.933 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: 8, replica: 3 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1048.212677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.212677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.212677 (E_RNA) where: Base-Base interactions energy: -619.963 where: short stacking energy: -306.425 Base-Backbone interact. energy: -1.717 local terms energy: -426.532230 where: bonds (distance) C4'-P energy: -90.598 bonds (distance) P-C4' energy: -97.708 flat angles C4'-P-C4' energy: -104.541 flat angles P-C4'-P energy: -66.590 tors. eta vs tors. theta energy: -67.096 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: 9, replica: 8 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -907.916103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.916103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.916103 (E_RNA) where: Base-Base interactions energy: -502.660 where: short stacking energy: -258.025 Base-Backbone interact. energy: 2.525 local terms energy: -407.780626 where: bonds (distance) C4'-P energy: -85.984 bonds (distance) P-C4' energy: -114.687 flat angles C4'-P-C4' energy: -107.941 flat angles P-C4'-P energy: -58.259 tors. eta vs tors. theta energy: -40.909 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: 10, replica: 2 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -699.761820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.761820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.761820 (E_RNA) where: Base-Base interactions energy: -339.843 where: short stacking energy: -188.038 Base-Backbone interact. energy: 1.640 local terms energy: -361.559355 where: bonds (distance) C4'-P energy: -103.560 bonds (distance) P-C4' energy: -115.189 flat angles C4'-P-C4' energy: -82.163 flat angles P-C4'-P energy: -55.424 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: 65 Temperature: 0.900000 Total energy: -2023.569771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.569771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.569771 (E_RNA) where: Base-Base interactions energy: -1368.345 where: short stacking energy: -583.575 Base-Backbone interact. energy: -4.138 local terms energy: -651.086122 where: bonds (distance) C4'-P energy: -131.552 bonds (distance) P-C4' energy: -130.986 flat angles C4'-P-C4' energy: -128.647 flat angles P-C4'-P energy: -97.301 tors. eta vs tors. theta energy: -162.601 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: 2, replica: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1929.372636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.372636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.372636 (E_RNA) where: Base-Base interactions energy: -1316.138 where: short stacking energy: -579.450 Base-Backbone interact. energy: -6.100 local terms energy: -607.135151 where: bonds (distance) C4'-P energy: -105.784 bonds (distance) P-C4' energy: -113.217 flat angles C4'-P-C4' energy: -144.128 flat angles P-C4'-P energy: -96.631 tors. eta vs tors. theta energy: -147.375 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: 3, replica: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1788.164416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.164416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.164416 (E_RNA) where: Base-Base interactions energy: -1194.224 where: short stacking energy: -536.835 Base-Backbone interact. energy: -2.299 local terms energy: -591.640900 where: bonds (distance) C4'-P energy: -115.874 bonds (distance) P-C4' energy: -129.933 flat angles C4'-P-C4' energy: -119.542 flat angles P-C4'-P energy: -87.271 tors. eta vs tors. theta energy: -139.021 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: 4, replica: 10 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1641.734014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.734014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.734014 (E_RNA) where: Base-Base interactions energy: -1076.859 where: short stacking energy: -492.062 Base-Backbone interact. energy: -1.233 local terms energy: -563.642031 where: bonds (distance) C4'-P energy: -114.932 bonds (distance) P-C4' energy: -117.651 flat angles C4'-P-C4' energy: -118.868 flat angles P-C4'-P energy: -84.638 tors. eta vs tors. theta energy: -127.552 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: 5, replica: 7 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1527.387684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.387684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.387684 (E_RNA) where: Base-Base interactions energy: -1006.439 where: short stacking energy: -435.186 Base-Backbone interact. energy: -4.840 local terms energy: -516.108820 where: bonds (distance) C4'-P energy: -112.765 bonds (distance) P-C4' energy: -101.461 flat angles C4'-P-C4' energy: -116.655 flat angles P-C4'-P energy: -74.173 tors. eta vs tors. theta energy: -111.055 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: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1283.123017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.123017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.123017 (E_RNA) where: Base-Base interactions energy: -797.195 where: short stacking energy: -371.801 Base-Backbone interact. energy: -1.935 local terms energy: -483.993056 where: bonds (distance) C4'-P energy: -93.315 bonds (distance) P-C4' energy: -116.509 flat angles C4'-P-C4' energy: -117.977 flat angles P-C4'-P energy: -71.695 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: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1115.151778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.151778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.151778 (E_RNA) where: Base-Base interactions energy: -657.248 where: short stacking energy: -308.262 Base-Backbone interact. energy: -1.384 local terms energy: -456.519292 where: bonds (distance) C4'-P energy: -127.679 bonds (distance) P-C4' energy: -116.204 flat angles C4'-P-C4' energy: -99.262 flat angles P-C4'-P energy: -62.586 tors. eta vs tors. theta energy: -50.787 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: 8, replica: 3 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1005.391494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.391494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.391494 (E_RNA) where: Base-Base interactions energy: -585.978 where: short stacking energy: -284.899 Base-Backbone interact. energy: -0.507 local terms energy: -418.905799 where: bonds (distance) C4'-P energy: -95.369 bonds (distance) P-C4' energy: -112.432 flat angles C4'-P-C4' energy: -102.866 flat angles P-C4'-P energy: -67.253 tors. eta vs tors. theta energy: -40.985 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: 8 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -905.585032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.585032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.585032 (E_RNA) where: Base-Base interactions energy: -500.202 where: short stacking energy: -229.072 Base-Backbone interact. energy: -2.040 local terms energy: -403.342393 where: bonds (distance) C4'-P energy: -107.842 bonds (distance) P-C4' energy: -101.913 flat angles C4'-P-C4' energy: -97.404 flat angles P-C4'-P energy: -59.811 tors. eta vs tors. theta energy: -36.372 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: 2 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -688.729294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.729294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.729294 (E_RNA) where: Base-Base interactions energy: -358.454 where: short stacking energy: -185.235 Base-Backbone interact. energy: 0.713 local terms energy: -330.988005 where: bonds (distance) C4'-P energy: -105.858 bonds (distance) P-C4' energy: -103.479 flat angles C4'-P-C4' energy: -92.849 flat angles P-C4'-P energy: -42.235 tors. eta vs tors. theta energy: 13.434 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: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2019.047741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.047741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.047741 (E_RNA) where: Base-Base interactions energy: -1403.481 where: short stacking energy: -584.648 Base-Backbone interact. energy: -3.239 local terms energy: -612.327679 where: bonds (distance) C4'-P energy: -115.141 bonds (distance) P-C4' energy: -129.845 flat angles C4'-P-C4' energy: -137.471 flat angles P-C4'-P energy: -73.529 tors. eta vs tors. theta energy: -156.341 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: 2, replica: 9 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1912.240090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.240090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.240090 (E_RNA) where: Base-Base interactions energy: -1274.998 where: short stacking energy: -559.323 Base-Backbone interact. energy: -1.686 local terms energy: -635.556245 where: bonds (distance) C4'-P energy: -122.887 bonds (distance) P-C4' energy: -118.967 flat angles C4'-P-C4' energy: -142.476 flat angles P-C4'-P energy: -80.390 tors. eta vs tors. theta energy: -170.837 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: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1748.620116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.620116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.620116 (E_RNA) where: Base-Base interactions energy: -1163.825 where: short stacking energy: -486.208 Base-Backbone interact. energy: 3.671 local terms energy: -588.466094 where: bonds (distance) C4'-P energy: -117.848 bonds (distance) P-C4' energy: -132.636 flat angles C4'-P-C4' energy: -128.788 flat angles P-C4'-P energy: -83.481 tors. eta vs tors. theta energy: -125.714 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: 4, replica: 10 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1642.998340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.998340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.998340 (E_RNA) where: Base-Base interactions energy: -1067.978 where: short stacking energy: -489.499 Base-Backbone interact. energy: -1.168 local terms energy: -573.852368 where: bonds (distance) C4'-P energy: -102.673 bonds (distance) P-C4' energy: -133.655 flat angles C4'-P-C4' energy: -128.483 flat angles P-C4'-P energy: -84.948 tors. eta vs tors. theta energy: -124.093 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: 5, replica: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1531.314055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.314055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.314055 (E_RNA) where: Base-Base interactions energy: -973.697 where: short stacking energy: -463.868 Base-Backbone interact. energy: -2.597 local terms energy: -555.020154 where: bonds (distance) C4'-P energy: -106.929 bonds (distance) P-C4' energy: -126.672 flat angles C4'-P-C4' energy: -118.255 flat angles P-C4'-P energy: -75.056 tors. eta vs tors. theta energy: -128.108 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: 6, replica: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1234.515725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.515725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.515725 (E_RNA) where: Base-Base interactions energy: -758.839 where: short stacking energy: -344.027 Base-Backbone interact. energy: -3.910 local terms energy: -471.766540 where: bonds (distance) C4'-P energy: -107.487 bonds (distance) P-C4' energy: -108.225 flat angles C4'-P-C4' energy: -95.402 flat angles P-C4'-P energy: -74.596 tors. eta vs tors. theta energy: -86.057 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: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1141.806062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.806062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.806062 (E_RNA) where: Base-Base interactions energy: -693.922 where: short stacking energy: -343.170 Base-Backbone interact. energy: -2.048 local terms energy: -445.835411 where: bonds (distance) C4'-P energy: -108.311 bonds (distance) P-C4' energy: -109.367 flat angles C4'-P-C4' energy: -99.040 flat angles P-C4'-P energy: -69.150 tors. eta vs tors. theta energy: -59.967 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: 3 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -997.333488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.333488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.333488 (E_RNA) where: Base-Base interactions energy: -575.267 where: short stacking energy: -298.067 Base-Backbone interact. energy: -0.280 local terms energy: -421.786607 where: bonds (distance) C4'-P energy: -105.436 bonds (distance) P-C4' energy: -108.628 flat angles C4'-P-C4' energy: -108.375 flat angles P-C4'-P energy: -48.023 tors. eta vs tors. theta energy: -51.324 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: 66 Temperature: 1.300000 Total energy: -945.338184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.338184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.338184 (E_RNA) where: Base-Base interactions energy: -556.241 where: short stacking energy: -288.867 Base-Backbone interact. energy: -2.201 local terms energy: -386.895897 where: bonds (distance) C4'-P energy: -79.650 bonds (distance) P-C4' energy: -93.863 flat angles C4'-P-C4' energy: -113.361 flat angles P-C4'-P energy: -64.128 tors. eta vs tors. theta energy: -35.893 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: 2 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -631.870983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.870983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.870983 (E_RNA) where: Base-Base interactions energy: -310.168 where: short stacking energy: -193.886 Base-Backbone interact. energy: -0.993 local terms energy: -320.710256 where: bonds (distance) C4'-P energy: -107.195 bonds (distance) P-C4' energy: -97.079 flat angles C4'-P-C4' energy: -81.167 flat angles P-C4'-P energy: -41.540 tors. eta vs tors. theta energy: 6.271 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: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2077.551834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.551834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.551834 (E_RNA) where: Base-Base interactions energy: -1420.006 where: short stacking energy: -601.748 Base-Backbone interact. energy: -4.437 local terms energy: -653.108355 where: bonds (distance) C4'-P energy: -131.186 bonds (distance) P-C4' energy: -126.600 flat angles C4'-P-C4' energy: -131.426 flat angles P-C4'-P energy: -89.709 tors. eta vs tors. theta energy: -174.187 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: 2, replica: 9 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1912.900892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.900892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.900892 (E_RNA) where: Base-Base interactions energy: -1293.165 where: short stacking energy: -580.203 Base-Backbone interact. energy: -0.448 local terms energy: -619.287761 where: bonds (distance) C4'-P energy: -122.077 bonds (distance) P-C4' energy: -129.452 flat angles C4'-P-C4' energy: -125.119 flat angles P-C4'-P energy: -87.548 tors. eta vs tors. theta energy: -155.092 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: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1774.501932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.501932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.501932 (E_RNA) where: Base-Base interactions energy: -1184.639 where: short stacking energy: -492.802 Base-Backbone interact. energy: -2.012 local terms energy: -587.850339 where: bonds (distance) C4'-P energy: -110.376 bonds (distance) P-C4' energy: -131.790 flat angles C4'-P-C4' energy: -131.087 flat angles P-C4'-P energy: -88.131 tors. eta vs tors. theta energy: -126.467 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: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1600.891235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.891235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.891235 (E_RNA) where: Base-Base interactions energy: -1048.662 where: short stacking energy: -482.227 Base-Backbone interact. energy: 0.760 local terms energy: -552.989076 where: bonds (distance) C4'-P energy: -111.254 bonds (distance) P-C4' energy: -108.516 flat angles C4'-P-C4' energy: -126.273 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -134.202 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: 10 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1619.240892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.240892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.240892 (E_RNA) where: Base-Base interactions energy: -1090.271 where: short stacking energy: -485.876 Base-Backbone interact. energy: 3.476 local terms energy: -532.445663 where: bonds (distance) C4'-P energy: -106.527 bonds (distance) P-C4' energy: -117.189 flat angles C4'-P-C4' energy: -115.241 flat angles P-C4'-P energy: -78.459 tors. eta vs tors. theta energy: -115.029 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: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1279.403394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.403394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.403394 (E_RNA) where: Base-Base interactions energy: -795.811 where: short stacking energy: -361.218 Base-Backbone interact. energy: -2.069 local terms energy: -481.523902 where: bonds (distance) C4'-P energy: -100.992 bonds (distance) P-C4' energy: -122.668 flat angles C4'-P-C4' energy: -108.035 flat angles P-C4'-P energy: -65.015 tors. eta vs tors. theta energy: -84.814 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: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1138.150795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.150795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.150795 (E_RNA) where: Base-Base interactions energy: -692.389 where: short stacking energy: -334.557 Base-Backbone interact. energy: -2.941 local terms energy: -442.820380 where: bonds (distance) C4'-P energy: -110.815 bonds (distance) P-C4' energy: -100.466 flat angles C4'-P-C4' energy: -102.445 flat angles P-C4'-P energy: -61.372 tors. eta vs tors. theta energy: -67.723 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: 3 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -978.407048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.407048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.407048 (E_RNA) where: Base-Base interactions energy: -559.768 where: short stacking energy: -280.731 Base-Backbone interact. energy: -1.749 local terms energy: -416.889840 where: bonds (distance) C4'-P energy: -94.132 bonds (distance) P-C4' energy: -121.722 flat angles C4'-P-C4' energy: -93.324 flat angles P-C4'-P energy: -78.369 tors. eta vs tors. theta energy: -29.343 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: 67 Temperature: 1.300000 Total energy: -886.532937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.532937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.532937 (E_RNA) where: Base-Base interactions energy: -509.115 where: short stacking energy: -255.537 Base-Backbone interact. energy: 1.231 local terms energy: -378.648592 where: bonds (distance) C4'-P energy: -101.979 bonds (distance) P-C4' energy: -92.175 flat angles C4'-P-C4' energy: -98.242 flat angles P-C4'-P energy: -58.878 tors. eta vs tors. theta energy: -27.373 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: 10, replica: 2 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -639.681128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.681128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.681128 (E_RNA) where: Base-Base interactions energy: -299.308 where: short stacking energy: -188.415 Base-Backbone interact. energy: 1.792 local terms energy: -342.165275 where: bonds (distance) C4'-P energy: -99.449 bonds (distance) P-C4' energy: -112.357 flat angles C4'-P-C4' energy: -79.935 flat angles P-C4'-P energy: -53.592 tors. eta vs tors. theta energy: 3.168 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: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2054.729646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.729646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.729646 (E_RNA) where: Base-Base interactions energy: -1417.835 where: short stacking energy: -590.526 Base-Backbone interact. energy: -3.190 local terms energy: -633.704900 where: bonds (distance) C4'-P energy: -122.887 bonds (distance) P-C4' energy: -124.237 flat angles C4'-P-C4' energy: -123.984 flat angles P-C4'-P energy: -89.534 tors. eta vs tors. theta energy: -173.063 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: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1931.593110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.593110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.593110 (E_RNA) where: Base-Base interactions energy: -1301.355 where: short stacking energy: -593.037 Base-Backbone interact. energy: -3.587 local terms energy: -626.651261 where: bonds (distance) C4'-P energy: -118.449 bonds (distance) P-C4' energy: -118.966 flat angles C4'-P-C4' energy: -137.543 flat angles P-C4'-P energy: -93.650 tors. eta vs tors. theta energy: -158.045 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: 4 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1827.981406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.981406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.981406 (E_RNA) where: Base-Base interactions energy: -1239.884 where: short stacking energy: -530.635 Base-Backbone interact. energy: 2.500 local terms energy: -590.597698 where: bonds (distance) C4'-P energy: -113.645 bonds (distance) P-C4' energy: -110.400 flat angles C4'-P-C4' energy: -126.782 flat angles P-C4'-P energy: -101.988 tors. eta vs tors. theta energy: -137.782 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: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1618.411743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.411743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.411743 (E_RNA) where: Base-Base interactions energy: -1051.926 where: short stacking energy: -485.882 Base-Backbone interact. energy: -3.186 local terms energy: -563.299283 where: bonds (distance) C4'-P energy: -112.547 bonds (distance) P-C4' energy: -104.087 flat angles C4'-P-C4' energy: -129.302 flat angles P-C4'-P energy: -84.432 tors. eta vs tors. theta energy: -132.931 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: 5, replica: 10 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1557.062292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.062292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.062292 (E_RNA) where: Base-Base interactions energy: -1011.706 where: short stacking energy: -464.854 Base-Backbone interact. energy: -1.084 local terms energy: -544.271522 where: bonds (distance) C4'-P energy: -94.185 bonds (distance) P-C4' energy: -123.806 flat angles C4'-P-C4' energy: -130.163 flat angles P-C4'-P energy: -80.841 tors. eta vs tors. theta energy: -115.277 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: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1285.157265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.157265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.157265 (E_RNA) where: Base-Base interactions energy: -801.844 where: short stacking energy: -392.721 Base-Backbone interact. energy: 1.749 local terms energy: -485.062206 where: bonds (distance) C4'-P energy: -103.118 bonds (distance) P-C4' energy: -104.225 flat angles C4'-P-C4' energy: -109.331 flat angles P-C4'-P energy: -84.001 tors. eta vs tors. theta energy: -84.387 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: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1066.677614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.677614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.677614 (E_RNA) where: Base-Base interactions energy: -643.754 where: short stacking energy: -305.251 Base-Backbone interact. energy: -0.956 local terms energy: -421.967804 where: bonds (distance) C4'-P energy: -103.515 bonds (distance) P-C4' energy: -109.315 flat angles C4'-P-C4' energy: -96.323 flat angles P-C4'-P energy: -61.907 tors. eta vs tors. theta energy: -50.910 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: 8, replica: 3 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -935.158707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.158707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.158707 (E_RNA) where: Base-Base interactions energy: -529.421 where: short stacking energy: -248.155 Base-Backbone interact. energy: -1.056 local terms energy: -404.681590 where: bonds (distance) C4'-P energy: -92.330 bonds (distance) P-C4' energy: -105.666 flat angles C4'-P-C4' energy: -101.101 flat angles P-C4'-P energy: -67.296 tors. eta vs tors. theta energy: -38.289 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: 68 Temperature: 1.300000 Total energy: -964.231496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.231496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.231496 (E_RNA) where: Base-Base interactions energy: -547.515 where: short stacking energy: -272.274 Base-Backbone interact. energy: -2.592 local terms energy: -414.124102 where: bonds (distance) C4'-P energy: -98.716 bonds (distance) P-C4' energy: -107.135 flat angles C4'-P-C4' energy: -109.090 flat angles P-C4'-P energy: -65.884 tors. eta vs tors. theta energy: -33.298 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: 2 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -651.807795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.807795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.807795 (E_RNA) where: Base-Base interactions energy: -305.276 where: short stacking energy: -169.646 Base-Backbone interact. energy: 3.530 local terms energy: -350.061652 where: bonds (distance) C4'-P energy: -89.739 bonds (distance) P-C4' energy: -122.746 flat angles C4'-P-C4' energy: -87.624 flat angles P-C4'-P energy: -46.983 tors. eta vs tors. theta energy: -2.969 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: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2058.408363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.408363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.408363 (E_RNA) where: Base-Base interactions energy: -1422.864 where: short stacking energy: -595.006 Base-Backbone interact. energy: -3.444 local terms energy: -632.100062 where: bonds (distance) C4'-P energy: -124.707 bonds (distance) P-C4' energy: -110.492 flat angles C4'-P-C4' energy: -133.119 flat angles P-C4'-P energy: -97.287 tors. eta vs tors. theta energy: -166.496 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: 2, replica: 9 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1919.667745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.667745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.667745 (E_RNA) where: Base-Base interactions energy: -1275.037 where: short stacking energy: -577.263 Base-Backbone interact. energy: -1.035 local terms energy: -643.595494 where: bonds (distance) C4'-P energy: -118.831 bonds (distance) P-C4' energy: -122.587 flat angles C4'-P-C4' energy: -140.353 flat angles P-C4'-P energy: -97.095 tors. eta vs tors. theta energy: -164.729 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: 3, replica: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1763.078932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.078932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.078932 (E_RNA) where: Base-Base interactions energy: -1183.300 where: short stacking energy: -514.918 Base-Backbone interact. energy: 1.173 local terms energy: -580.951862 where: bonds (distance) C4'-P energy: -104.836 bonds (distance) P-C4' energy: -117.411 flat angles C4'-P-C4' energy: -142.801 flat angles P-C4'-P energy: -89.090 tors. eta vs tors. theta energy: -126.814 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: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1647.193301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.193301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.193301 (E_RNA) where: Base-Base interactions energy: -1039.718 where: short stacking energy: -498.380 Base-Backbone interact. energy: 0.101 local terms energy: -607.576582 where: bonds (distance) C4'-P energy: -113.505 bonds (distance) P-C4' energy: -115.571 flat angles C4'-P-C4' energy: -141.749 flat angles P-C4'-P energy: -95.167 tors. eta vs tors. theta energy: -141.585 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: 5, replica: 10 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1607.523587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.523587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.523587 (E_RNA) where: Base-Base interactions energy: -1086.966 where: short stacking energy: -498.673 Base-Backbone interact. energy: -4.217 local terms energy: -516.341219 where: bonds (distance) C4'-P energy: -111.054 bonds (distance) P-C4' energy: -87.626 flat angles C4'-P-C4' energy: -124.692 flat angles P-C4'-P energy: -72.701 tors. eta vs tors. theta energy: -120.268 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: 6, replica: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1242.533468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.533468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.533468 (E_RNA) where: Base-Base interactions energy: -765.155 where: short stacking energy: -369.693 Base-Backbone interact. energy: 3.504 local terms energy: -480.882475 where: bonds (distance) C4'-P energy: -115.667 bonds (distance) P-C4' energy: -101.899 flat angles C4'-P-C4' energy: -113.492 flat angles P-C4'-P energy: -78.841 tors. eta vs tors. theta energy: -70.984 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: 7, replica: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1026.932696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.932696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.932696 (E_RNA) where: Base-Base interactions energy: -600.851 where: short stacking energy: -302.362 Base-Backbone interact. energy: -2.684 local terms energy: -423.397190 where: bonds (distance) C4'-P energy: -107.446 bonds (distance) P-C4' energy: -97.166 flat angles C4'-P-C4' energy: -90.707 flat angles P-C4'-P energy: -75.533 tors. eta vs tors. theta energy: -52.545 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: 8, replica: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -976.852097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.852097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.852097 (E_RNA) where: Base-Base interactions energy: -567.578 where: short stacking energy: -293.120 Base-Backbone interact. energy: 2.339 local terms energy: -411.612261 where: bonds (distance) C4'-P energy: -102.909 bonds (distance) P-C4' energy: -114.221 flat angles C4'-P-C4' energy: -87.556 flat angles P-C4'-P energy: -65.370 tors. eta vs tors. theta energy: -41.556 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: 3 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -855.005086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.005086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.005086 (E_RNA) where: Base-Base interactions energy: -482.330 where: short stacking energy: -249.928 Base-Backbone interact. energy: -1.141 local terms energy: -371.534341 where: bonds (distance) C4'-P energy: -104.807 bonds (distance) P-C4' energy: -96.049 flat angles C4'-P-C4' energy: -92.888 flat angles P-C4'-P energy: -50.755 tors. eta vs tors. theta energy: -27.034 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: 10, replica: 2 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -684.016150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.016150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.016150 (E_RNA) where: Base-Base interactions energy: -342.460 where: short stacking energy: -201.542 Base-Backbone interact. energy: -0.234 local terms energy: -341.321664 where: bonds (distance) C4'-P energy: -92.871 bonds (distance) P-C4' energy: -113.075 flat angles C4'-P-C4' energy: -83.272 flat angles P-C4'-P energy: -46.831 tors. eta vs tors. theta energy: -5.272 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: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2050.459611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.459611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.459611 (E_RNA) where: Base-Base interactions energy: -1392.285 where: short stacking energy: -590.564 Base-Backbone interact. energy: -2.354 local terms energy: -655.820505 where: bonds (distance) C4'-P energy: -115.015 bonds (distance) P-C4' energy: -134.939 flat angles C4'-P-C4' energy: -141.905 flat angles P-C4'-P energy: -86.556 tors. eta vs tors. theta energy: -177.405 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: 9 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1916.184495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.184495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.184495 (E_RNA) where: Base-Base interactions energy: -1247.233 where: short stacking energy: -577.362 Base-Backbone interact. energy: -1.934 local terms energy: -667.016979 where: bonds (distance) C4'-P energy: -128.719 bonds (distance) P-C4' energy: -128.123 flat angles C4'-P-C4' energy: -142.372 flat angles P-C4'-P energy: -103.170 tors. eta vs tors. theta energy: -164.632 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: 3, replica: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1805.584416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.584416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.584416 (E_RNA) where: Base-Base interactions energy: -1206.327 where: short stacking energy: -509.352 Base-Backbone interact. energy: -6.403 local terms energy: -592.854659 where: bonds (distance) C4'-P energy: -116.723 bonds (distance) P-C4' energy: -125.802 flat angles C4'-P-C4' energy: -139.658 flat angles P-C4'-P energy: -83.726 tors. eta vs tors. theta energy: -126.946 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: 4, replica: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1656.556812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.556812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.556812 (E_RNA) where: Base-Base interactions energy: -1086.611 where: short stacking energy: -518.267 Base-Backbone interact. energy: -2.261 local terms energy: -567.684578 where: bonds (distance) C4'-P energy: -106.047 bonds (distance) P-C4' energy: -121.923 flat angles C4'-P-C4' energy: -128.255 flat angles P-C4'-P energy: -71.629 tors. eta vs tors. theta energy: -139.831 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: 5, replica: 10 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1557.091035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.091035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.091035 (E_RNA) where: Base-Base interactions energy: -1026.192 where: short stacking energy: -445.530 Base-Backbone interact. energy: -3.401 local terms energy: -527.498490 where: bonds (distance) C4'-P energy: -112.133 bonds (distance) P-C4' energy: -111.917 flat angles C4'-P-C4' energy: -116.242 flat angles P-C4'-P energy: -76.370 tors. eta vs tors. theta energy: -110.837 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: 6, replica: 1 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1288.400103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.400103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.400103 (E_RNA) where: Base-Base interactions energy: -779.088 where: short stacking energy: -353.040 Base-Backbone interact. energy: -3.047 local terms energy: -506.265175 where: bonds (distance) C4'-P energy: -114.350 bonds (distance) P-C4' energy: -115.089 flat angles C4'-P-C4' energy: -117.895 flat angles P-C4'-P energy: -80.138 tors. eta vs tors. theta energy: -78.792 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: 7, replica: 8 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1044.318633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.318633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.318633 (E_RNA) where: Base-Base interactions energy: -587.781 where: short stacking energy: -288.541 Base-Backbone interact. energy: -0.148 local terms energy: -456.389428 where: bonds (distance) C4'-P energy: -99.240 bonds (distance) P-C4' energy: -127.641 flat angles C4'-P-C4' energy: -119.224 flat angles P-C4'-P energy: -63.743 tors. eta vs tors. theta energy: -46.541 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: 8, replica: 6 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -997.418830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.418830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.418830 (E_RNA) where: Base-Base interactions energy: -607.071 where: short stacking energy: -276.624 Base-Backbone interact. energy: -2.096 local terms energy: -388.251997 where: bonds (distance) C4'-P energy: -89.400 bonds (distance) P-C4' energy: -111.712 flat angles C4'-P-C4' energy: -87.102 flat angles P-C4'-P energy: -49.572 tors. eta vs tors. theta energy: -50.465 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: 3 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -845.989016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.989016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.989016 (E_RNA) where: Base-Base interactions energy: -467.107 where: short stacking energy: -272.215 Base-Backbone interact. energy: 3.872 local terms energy: -382.754663 where: bonds (distance) C4'-P energy: -92.118 bonds (distance) P-C4' energy: -90.405 flat angles C4'-P-C4' energy: -97.026 flat angles P-C4'-P energy: -66.685 tors. eta vs tors. theta energy: -36.521 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: 2 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -631.567192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.567192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.567192 (E_RNA) where: Base-Base interactions energy: -294.100 where: short stacking energy: -170.230 Base-Backbone interact. energy: 2.122 local terms energy: -339.588692 where: bonds (distance) C4'-P energy: -95.598 bonds (distance) P-C4' energy: -115.494 flat angles C4'-P-C4' energy: -83.049 flat angles P-C4'-P energy: -58.710 tors. eta vs tors. theta energy: 13.262 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: 1, replica: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2054.732879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.732879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.732879 (E_RNA) where: Base-Base interactions energy: -1409.715 where: short stacking energy: -593.669 Base-Backbone interact. energy: -1.301 local terms energy: -643.716801 where: bonds (distance) C4'-P energy: -131.690 bonds (distance) P-C4' energy: -127.504 flat angles C4'-P-C4' energy: -142.591 flat angles P-C4'-P energy: -79.992 tors. eta vs tors. theta energy: -161.940 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: 2, replica: 9 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1938.027527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.027527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.027527 (E_RNA) where: Base-Base interactions energy: -1305.526 where: short stacking energy: -565.403 Base-Backbone interact. energy: -3.417 local terms energy: -629.085048 where: bonds (distance) C4'-P energy: -120.945 bonds (distance) P-C4' energy: -119.352 flat angles C4'-P-C4' energy: -143.163 flat angles P-C4'-P energy: -88.638 tors. eta vs tors. theta energy: -156.986 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: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1798.288484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.288484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.288484 (E_RNA) where: Base-Base interactions energy: -1203.542 where: short stacking energy: -499.670 Base-Backbone interact. energy: -2.896 local terms energy: -591.850832 where: bonds (distance) C4'-P energy: -123.824 bonds (distance) P-C4' energy: -113.037 flat angles C4'-P-C4' energy: -139.973 flat angles P-C4'-P energy: -77.651 tors. eta vs tors. theta energy: -137.365 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: 4, replica: 7 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1631.979538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.979538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.979538 (E_RNA) where: Base-Base interactions energy: -1065.612 where: short stacking energy: -493.088 Base-Backbone interact. energy: -0.623 local terms energy: -565.745127 where: bonds (distance) C4'-P energy: -125.841 bonds (distance) P-C4' energy: -108.829 flat angles C4'-P-C4' energy: -122.209 flat angles P-C4'-P energy: -79.103 tors. eta vs tors. theta energy: -129.763 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: 5, replica: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1616.684055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.684055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.684055 (E_RNA) where: Base-Base interactions energy: -1047.714 where: short stacking energy: -452.441 Base-Backbone interact. energy: -2.794 local terms energy: -566.175874 where: bonds (distance) C4'-P energy: -114.687 bonds (distance) P-C4' energy: -134.308 flat angles C4'-P-C4' energy: -121.677 flat angles P-C4'-P energy: -79.555 tors. eta vs tors. theta energy: -115.950 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: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1331.490128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.490128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.490128 (E_RNA) where: Base-Base interactions energy: -836.489 where: short stacking energy: -388.732 Base-Backbone interact. energy: -2.530 local terms energy: -492.470964 where: bonds (distance) C4'-P energy: -104.894 bonds (distance) P-C4' energy: -119.363 flat angles C4'-P-C4' energy: -117.228 flat angles P-C4'-P energy: -74.490 tors. eta vs tors. theta energy: -76.497 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: 7, replica: 8 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1064.281484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.281484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.281484 (E_RNA) where: Base-Base interactions energy: -620.687 where: short stacking energy: -316.617 Base-Backbone interact. energy: -0.782 local terms energy: -442.812709 where: bonds (distance) C4'-P energy: -98.029 bonds (distance) P-C4' energy: -122.314 flat angles C4'-P-C4' energy: -108.338 flat angles P-C4'-P energy: -50.685 tors. eta vs tors. theta energy: -63.447 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: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1045.033075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.033075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.033075 (E_RNA) where: Base-Base interactions energy: -619.603 where: short stacking energy: -276.793 Base-Backbone interact. energy: 0.484 local terms energy: -425.914617 where: bonds (distance) C4'-P energy: -113.670 bonds (distance) P-C4' energy: -123.186 flat angles C4'-P-C4' energy: -104.094 flat angles P-C4'-P energy: -55.590 tors. eta vs tors. theta energy: -29.374 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: 9, replica: 3 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -860.467701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.467701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.467701 (E_RNA) where: Base-Base interactions energy: -502.909 where: short stacking energy: -244.927 Base-Backbone interact. energy: -1.683 local terms energy: -355.875391 where: bonds (distance) C4'-P energy: -80.019 bonds (distance) P-C4' energy: -109.328 flat angles C4'-P-C4' energy: -107.375 flat angles P-C4'-P energy: -40.782 tors. eta vs tors. theta energy: -18.373 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: 10, replica: 2 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -710.097826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.097826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.097826 (E_RNA) where: Base-Base interactions energy: -386.300 where: short stacking energy: -220.580 Base-Backbone interact. energy: 0.846 local terms energy: -324.644332 where: bonds (distance) C4'-P energy: -93.228 bonds (distance) P-C4' energy: -112.591 flat angles C4'-P-C4' energy: -73.411 flat angles P-C4'-P energy: -40.363 tors. eta vs tors. theta energy: -5.051 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: 1, replica: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2054.043273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.043273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.043273 (E_RNA) where: Base-Base interactions energy: -1403.184 where: short stacking energy: -602.177 Base-Backbone interact. energy: -3.338 local terms energy: -647.520599 where: bonds (distance) C4'-P energy: -123.414 bonds (distance) P-C4' energy: -125.413 flat angles C4'-P-C4' energy: -139.607 flat angles P-C4'-P energy: -86.731 tors. eta vs tors. theta energy: -172.356 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: 2, replica: 9 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1937.128530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.128530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.128530 (E_RNA) where: Base-Base interactions energy: -1302.962 where: short stacking energy: -569.358 Base-Backbone interact. energy: 0.019 local terms energy: -634.185443 where: bonds (distance) C4'-P energy: -105.676 bonds (distance) P-C4' energy: -137.349 flat angles C4'-P-C4' energy: -147.628 flat angles P-C4'-P energy: -92.376 tors. eta vs tors. theta energy: -151.156 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: 3, replica: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1818.505870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.505870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.505870 (E_RNA) where: Base-Base interactions energy: -1206.218 where: short stacking energy: -527.545 Base-Backbone interact. energy: -1.736 local terms energy: -610.552724 where: bonds (distance) C4'-P energy: -109.028 bonds (distance) P-C4' energy: -120.935 flat angles C4'-P-C4' energy: -144.662 flat angles P-C4'-P energy: -96.838 tors. eta vs tors. theta energy: -139.091 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: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1668.589476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.589476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.589476 (E_RNA) where: Base-Base interactions energy: -1090.989 where: short stacking energy: -466.605 Base-Backbone interact. energy: -3.247 local terms energy: -574.353216 where: bonds (distance) C4'-P energy: -117.483 bonds (distance) P-C4' energy: -128.196 flat angles C4'-P-C4' energy: -123.872 flat angles P-C4'-P energy: -78.336 tors. eta vs tors. theta energy: -126.467 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: 5, replica: 10 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1603.816301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.816301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.816301 (E_RNA) where: Base-Base interactions energy: -1040.452 where: short stacking energy: -477.773 Base-Backbone interact. energy: -1.510 local terms energy: -561.854500 where: bonds (distance) C4'-P energy: -114.001 bonds (distance) P-C4' energy: -112.960 flat angles C4'-P-C4' energy: -128.960 flat angles P-C4'-P energy: -77.236 tors. eta vs tors. theta energy: -128.699 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: 1 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1321.310958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.310958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.310958 (E_RNA) where: Base-Base interactions energy: -841.826 where: short stacking energy: -371.612 Base-Backbone interact. energy: -1.464 local terms energy: -478.021016 where: bonds (distance) C4'-P energy: -110.526 bonds (distance) P-C4' energy: -106.069 flat angles C4'-P-C4' energy: -120.909 flat angles P-C4'-P energy: -72.207 tors. eta vs tors. theta energy: -68.309 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: 8 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1227.839373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.839373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.839373 (E_RNA) where: Base-Base interactions energy: -762.975 where: short stacking energy: -358.987 Base-Backbone interact. energy: 2.023 local terms energy: -466.887137 where: bonds (distance) C4'-P energy: -102.363 bonds (distance) P-C4' energy: -105.214 flat angles C4'-P-C4' energy: -108.925 flat angles P-C4'-P energy: -62.254 tors. eta vs tors. theta energy: -88.132 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: 8, replica: 6 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1118.051669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.051669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.051669 (E_RNA) where: Base-Base interactions energy: -676.417 where: short stacking energy: -323.727 Base-Backbone interact. energy: 3.296 local terms energy: -444.930323 where: bonds (distance) C4'-P energy: -96.778 bonds (distance) P-C4' energy: -102.240 flat angles C4'-P-C4' energy: -104.231 flat angles P-C4'-P energy: -76.283 tors. eta vs tors. theta energy: -65.398 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: 9, replica: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -778.879858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.879858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.879858 (E_RNA) where: Base-Base interactions energy: -426.407 where: short stacking energy: -250.204 Base-Backbone interact. energy: 9.229 local terms energy: -361.701479 where: bonds (distance) C4'-P energy: -91.406 bonds (distance) P-C4' energy: -86.658 flat angles C4'-P-C4' energy: -98.402 flat angles P-C4'-P energy: -55.920 tors. eta vs tors. theta energy: -29.316 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: 3 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -709.289963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.289963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.289963 (E_RNA) where: Base-Base interactions energy: -390.523 where: short stacking energy: -210.275 Base-Backbone interact. energy: 4.222 local terms energy: -322.989389 where: bonds (distance) C4'-P energy: -98.713 bonds (distance) P-C4' energy: -92.340 flat angles C4'-P-C4' energy: -81.898 flat angles P-C4'-P energy: -35.502 tors. eta vs tors. theta energy: -14.537 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: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2065.723709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.723709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.723709 (E_RNA) where: Base-Base interactions energy: -1392.672 where: short stacking energy: -597.289 Base-Backbone interact. energy: -2.462 local terms energy: -670.589523 where: bonds (distance) C4'-P energy: -133.399 bonds (distance) P-C4' energy: -135.154 flat angles C4'-P-C4' energy: -140.591 flat angles P-C4'-P energy: -95.262 tors. eta vs tors. theta energy: -166.184 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: 2, replica: 9 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1953.616856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.616856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.616856 (E_RNA) where: Base-Base interactions energy: -1314.166 where: short stacking energy: -579.510 Base-Backbone interact. energy: -3.835 local terms energy: -635.615031 where: bonds (distance) C4'-P energy: -126.146 bonds (distance) P-C4' energy: -121.580 flat angles C4'-P-C4' energy: -129.464 flat angles P-C4'-P energy: -92.912 tors. eta vs tors. theta energy: -165.513 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: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1791.661997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.661997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.661997 (E_RNA) where: Base-Base interactions energy: -1212.168 where: short stacking energy: -516.509 Base-Backbone interact. energy: -1.510 local terms energy: -577.983960 where: bonds (distance) C4'-P energy: -122.864 bonds (distance) P-C4' energy: -115.498 flat angles C4'-P-C4' energy: -128.537 flat angles P-C4'-P energy: -87.737 tors. eta vs tors. theta energy: -123.349 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: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1669.165894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.165894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.165894 (E_RNA) where: Base-Base interactions energy: -1101.682 where: short stacking energy: -505.288 Base-Backbone interact. energy: 4.584 local terms energy: -572.068214 where: bonds (distance) C4'-P energy: -117.227 bonds (distance) P-C4' energy: -124.413 flat angles C4'-P-C4' energy: -124.525 flat angles P-C4'-P energy: -79.864 tors. eta vs tors. theta energy: -126.039 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: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1644.014517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.014517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.014517 (E_RNA) where: Base-Base interactions energy: -1110.979 where: short stacking energy: -500.229 Base-Backbone interact. energy: -2.381 local terms energy: -530.653743 where: bonds (distance) C4'-P energy: -87.773 bonds (distance) P-C4' energy: -106.214 flat angles C4'-P-C4' energy: -134.685 flat angles P-C4'-P energy: -72.936 tors. eta vs tors. theta energy: -129.046 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: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1405.918567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.918567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.918567 (E_RNA) where: Base-Base interactions energy: -889.335 where: short stacking energy: -415.257 Base-Backbone interact. energy: 0.335 local terms energy: -516.918391 where: bonds (distance) C4'-P energy: -113.489 bonds (distance) P-C4' energy: -112.997 flat angles C4'-P-C4' energy: -116.049 flat angles P-C4'-P energy: -66.890 tors. eta vs tors. theta energy: -107.493 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: 8 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1229.548559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.548559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.548559 (E_RNA) where: Base-Base interactions energy: -756.046 where: short stacking energy: -343.306 Base-Backbone interact. energy: -1.090 local terms energy: -472.413007 where: bonds (distance) C4'-P energy: -96.720 bonds (distance) P-C4' energy: -108.679 flat angles C4'-P-C4' energy: -106.543 flat angles P-C4'-P energy: -86.488 tors. eta vs tors. theta energy: -73.983 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: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1052.945408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.945408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.945408 (E_RNA) where: Base-Base interactions energy: -635.505 where: short stacking energy: -316.221 Base-Backbone interact. energy: -1.341 local terms energy: -416.100196 where: bonds (distance) C4'-P energy: -100.497 bonds (distance) P-C4' energy: -82.844 flat angles C4'-P-C4' energy: -98.644 flat angles P-C4'-P energy: -62.837 tors. eta vs tors. theta energy: -71.279 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: 9, replica: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -764.487012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.487012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.487012 (E_RNA) where: Base-Base interactions energy: -420.073 where: short stacking energy: -226.918 Base-Backbone interact. energy: -4.224 local terms energy: -340.189159 where: bonds (distance) C4'-P energy: -85.446 bonds (distance) P-C4' energy: -99.945 flat angles C4'-P-C4' energy: -85.755 flat angles P-C4'-P energy: -51.914 tors. eta vs tors. theta energy: -17.129 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: 3 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -590.453924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.453924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.453924 (E_RNA) where: Base-Base interactions energy: -277.547 where: short stacking energy: -165.188 Base-Backbone interact. energy: 6.303 local terms energy: -319.210026 where: bonds (distance) C4'-P energy: -75.988 bonds (distance) P-C4' energy: -101.791 flat angles C4'-P-C4' energy: -89.126 flat angles P-C4'-P energy: -46.600 tors. eta vs tors. theta energy: -5.705 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: 74 Temperature: 0.900000 Total energy: -2066.227346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.227346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.227346 (E_RNA) where: Base-Base interactions energy: -1394.618 where: short stacking energy: -589.952 Base-Backbone interact. energy: -0.444 local terms energy: -671.166107 where: bonds (distance) C4'-P energy: -147.089 bonds (distance) P-C4' energy: -129.155 flat angles C4'-P-C4' energy: -141.869 flat angles P-C4'-P energy: -81.820 tors. eta vs tors. theta energy: -171.233 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: 9 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1992.922759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.922759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.922759 (E_RNA) where: Base-Base interactions energy: -1346.509 where: short stacking energy: -586.252 Base-Backbone interact. energy: -2.426 local terms energy: -643.987570 where: bonds (distance) C4'-P energy: -121.395 bonds (distance) P-C4' energy: -126.581 flat angles C4'-P-C4' energy: -149.337 flat angles P-C4'-P energy: -77.216 tors. eta vs tors. theta energy: -169.459 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: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1849.007732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.007732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.007732 (E_RNA) where: Base-Base interactions energy: -1286.240 where: short stacking energy: -519.678 Base-Backbone interact. energy: -3.040 local terms energy: -559.727142 where: bonds (distance) C4'-P energy: -110.390 bonds (distance) P-C4' energy: -122.236 flat angles C4'-P-C4' energy: -115.645 flat angles P-C4'-P energy: -83.233 tors. eta vs tors. theta energy: -128.223 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: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1660.241862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.241862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.241862 (E_RNA) where: Base-Base interactions energy: -1094.349 where: short stacking energy: -484.472 Base-Backbone interact. energy: -0.627 local terms energy: -565.265475 where: bonds (distance) C4'-P energy: -134.385 bonds (distance) P-C4' energy: -112.512 flat angles C4'-P-C4' energy: -116.503 flat angles P-C4'-P energy: -75.883 tors. eta vs tors. theta energy: -125.983 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: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1620.489844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.489844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.489844 (E_RNA) where: Base-Base interactions energy: -1062.297 where: short stacking energy: -466.269 Base-Backbone interact. energy: 1.744 local terms energy: -559.937269 where: bonds (distance) C4'-P energy: -112.521 bonds (distance) P-C4' energy: -124.752 flat angles C4'-P-C4' energy: -130.042 flat angles P-C4'-P energy: -83.416 tors. eta vs tors. theta energy: -109.207 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: 6, replica: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1432.885390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.885390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.885390 (E_RNA) where: Base-Base interactions energy: -937.014 where: short stacking energy: -416.638 Base-Backbone interact. energy: -2.629 local terms energy: -493.242661 where: bonds (distance) C4'-P energy: -110.400 bonds (distance) P-C4' energy: -102.469 flat angles C4'-P-C4' energy: -114.248 flat angles P-C4'-P energy: -75.402 tors. eta vs tors. theta energy: -90.724 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: 7, replica: 8 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1210.963473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.963473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.963473 (E_RNA) where: Base-Base interactions energy: -735.107 where: short stacking energy: -316.503 Base-Backbone interact. energy: -2.634 local terms energy: -473.222190 where: bonds (distance) C4'-P energy: -105.202 bonds (distance) P-C4' energy: -115.556 flat angles C4'-P-C4' energy: -96.924 flat angles P-C4'-P energy: -77.794 tors. eta vs tors. theta energy: -77.747 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: 8, replica: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1108.395481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.395481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.395481 (E_RNA) where: Base-Base interactions energy: -672.276 where: short stacking energy: -311.546 Base-Backbone interact. energy: 0.151 local terms energy: -436.270313 where: bonds (distance) C4'-P energy: -110.559 bonds (distance) P-C4' energy: -95.596 flat angles C4'-P-C4' energy: -112.110 flat angles P-C4'-P energy: -60.565 tors. eta vs tors. theta energy: -57.442 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: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -793.476951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.476951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.476951 (E_RNA) where: Base-Base interactions energy: -431.546 where: short stacking energy: -232.718 Base-Backbone interact. energy: 0.182 local terms energy: -362.113154 where: bonds (distance) C4'-P energy: -94.345 bonds (distance) P-C4' energy: -110.484 flat angles C4'-P-C4' energy: -93.179 flat angles P-C4'-P energy: -47.784 tors. eta vs tors. theta energy: -16.322 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: 10, replica: 3 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -648.170393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.170393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.170393 (E_RNA) where: Base-Base interactions energy: -320.314 where: short stacking energy: -196.147 Base-Backbone interact. energy: -2.820 local terms energy: -325.036057 where: bonds (distance) C4'-P energy: -75.212 bonds (distance) P-C4' energy: -98.716 flat angles C4'-P-C4' energy: -97.656 flat angles P-C4'-P energy: -49.726 tors. eta vs tors. theta energy: -3.727 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: 1, replica: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2068.954945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.954945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.954945 (E_RNA) where: Base-Base interactions energy: -1419.800 where: short stacking energy: -606.978 Base-Backbone interact. energy: -3.862 local terms energy: -645.292977 where: bonds (distance) C4'-P energy: -119.016 bonds (distance) P-C4' energy: -129.843 flat angles C4'-P-C4' energy: -136.138 flat angles P-C4'-P energy: -92.317 tors. eta vs tors. theta energy: -167.978 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: 2, replica: 9 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1940.639228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.639228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.639228 (E_RNA) where: Base-Base interactions energy: -1305.039 where: short stacking energy: -608.056 Base-Backbone interact. energy: -3.050 local terms energy: -632.549668 where: bonds (distance) C4'-P energy: -114.374 bonds (distance) P-C4' energy: -122.249 flat angles C4'-P-C4' energy: -142.552 flat angles P-C4'-P energy: -84.538 tors. eta vs tors. theta energy: -168.837 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: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1817.363864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.363864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.363864 (E_RNA) where: Base-Base interactions energy: -1238.569 where: short stacking energy: -514.769 Base-Backbone interact. energy: -2.102 local terms energy: -576.692718 where: bonds (distance) C4'-P energy: -116.006 bonds (distance) P-C4' energy: -117.737 flat angles C4'-P-C4' energy: -127.930 flat angles P-C4'-P energy: -87.459 tors. eta vs tors. theta energy: -127.561 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: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1661.237870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.237870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.237870 (E_RNA) where: Base-Base interactions energy: -1077.163 where: short stacking energy: -474.149 Base-Backbone interact. energy: -0.990 local terms energy: -583.085602 where: bonds (distance) C4'-P energy: -121.957 bonds (distance) P-C4' energy: -113.554 flat angles C4'-P-C4' energy: -135.514 flat angles P-C4'-P energy: -75.463 tors. eta vs tors. theta energy: -136.598 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: 5, replica: 10 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1529.627180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.627180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.627180 (E_RNA) where: Base-Base interactions energy: -1009.868 where: short stacking energy: -427.108 Base-Backbone interact. energy: 0.664 local terms energy: -520.423727 where: bonds (distance) C4'-P energy: -99.379 bonds (distance) P-C4' energy: -121.410 flat angles C4'-P-C4' energy: -115.562 flat angles P-C4'-P energy: -89.450 tors. eta vs tors. theta energy: -94.623 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: 6, replica: 1 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1456.804073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.804073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.804073 (E_RNA) where: Base-Base interactions energy: -951.131 where: short stacking energy: -414.827 Base-Backbone interact. energy: -1.656 local terms energy: -504.016868 where: bonds (distance) C4'-P energy: -106.375 bonds (distance) P-C4' energy: -101.836 flat angles C4'-P-C4' energy: -117.696 flat angles P-C4'-P energy: -75.987 tors. eta vs tors. theta energy: -102.124 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: 7, replica: 8 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1318.468914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.468914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.468914 (E_RNA) where: Base-Base interactions energy: -818.708 where: short stacking energy: -372.877 Base-Backbone interact. energy: -2.398 local terms energy: -497.362711 where: bonds (distance) C4'-P energy: -99.275 bonds (distance) P-C4' energy: -109.912 flat angles C4'-P-C4' energy: -116.360 flat angles P-C4'-P energy: -76.531 tors. eta vs tors. theta energy: -95.284 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: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1057.690741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.690741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.690741 (E_RNA) where: Base-Base interactions energy: -616.038 where: short stacking energy: -307.735 Base-Backbone interact. energy: -3.031 local terms energy: -438.621849 where: bonds (distance) C4'-P energy: -99.694 bonds (distance) P-C4' energy: -120.481 flat angles C4'-P-C4' energy: -114.140 flat angles P-C4'-P energy: -51.520 tors. eta vs tors. theta energy: -52.787 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: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -758.304386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.304386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.304386 (E_RNA) where: Base-Base interactions energy: -374.778 where: short stacking energy: -182.959 Base-Backbone interact. energy: -0.729 local terms energy: -382.797212 where: bonds (distance) C4'-P energy: -99.702 bonds (distance) P-C4' energy: -98.164 flat angles C4'-P-C4' energy: -99.835 flat angles P-C4'-P energy: -64.036 tors. eta vs tors. theta energy: -21.061 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: 10, replica: 3 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -631.125437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.125437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.125437 (E_RNA) where: Base-Base interactions energy: -282.412 where: short stacking energy: -172.433 Base-Backbone interact. energy: 6.277 local terms energy: -354.990331 where: bonds (distance) C4'-P energy: -106.513 bonds (distance) P-C4' energy: -121.319 flat angles C4'-P-C4' energy: -85.171 flat angles P-C4'-P energy: -43.037 tors. eta vs tors. theta energy: 1.050 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: 1, replica: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2070.562934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.562934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.562934 (E_RNA) where: Base-Base interactions energy: -1423.145 where: short stacking energy: -597.320 Base-Backbone interact. energy: -3.549 local terms energy: -643.869036 where: bonds (distance) C4'-P energy: -131.022 bonds (distance) P-C4' energy: -121.347 flat angles C4'-P-C4' energy: -137.490 flat angles P-C4'-P energy: -80.409 tors. eta vs tors. theta energy: -173.601 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: 2, replica: 9 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1951.857316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.857316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.857316 (E_RNA) where: Base-Base interactions energy: -1315.996 where: short stacking energy: -597.110 Base-Backbone interact. energy: -3.608 local terms energy: -632.252987 where: bonds (distance) C4'-P energy: -119.227 bonds (distance) P-C4' energy: -117.206 flat angles C4'-P-C4' energy: -132.999 flat angles P-C4'-P energy: -88.504 tors. eta vs tors. theta energy: -174.317 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: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1845.966115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.966115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.966115 (E_RNA) where: Base-Base interactions energy: -1253.649 where: short stacking energy: -523.316 Base-Backbone interact. energy: -4.066 local terms energy: -588.251976 where: bonds (distance) C4'-P energy: -103.633 bonds (distance) P-C4' energy: -115.339 flat angles C4'-P-C4' energy: -128.753 flat angles P-C4'-P energy: -82.487 tors. eta vs tors. theta energy: -158.040 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: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1652.466772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.466772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.466772 (E_RNA) where: Base-Base interactions energy: -1081.183 where: short stacking energy: -475.189 Base-Backbone interact. energy: -4.694 local terms energy: -566.590230 where: bonds (distance) C4'-P energy: -114.925 bonds (distance) P-C4' energy: -110.555 flat angles C4'-P-C4' energy: -130.995 flat angles P-C4'-P energy: -78.617 tors. eta vs tors. theta energy: -131.498 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: 5, replica: 10 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1561.677906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.677906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.677906 (E_RNA) where: Base-Base interactions energy: -1014.845 where: short stacking energy: -451.213 Base-Backbone interact. energy: -3.205 local terms energy: -543.627459 where: bonds (distance) C4'-P energy: -103.535 bonds (distance) P-C4' energy: -117.578 flat angles C4'-P-C4' energy: -118.799 flat angles P-C4'-P energy: -86.726 tors. eta vs tors. theta energy: -116.989 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: 1 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1481.599792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.599792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.599792 (E_RNA) where: Base-Base interactions energy: -1000.510 where: short stacking energy: -416.471 Base-Backbone interact. energy: -0.176 local terms energy: -480.913604 where: bonds (distance) C4'-P energy: -90.734 bonds (distance) P-C4' energy: -116.331 flat angles C4'-P-C4' energy: -111.779 flat angles P-C4'-P energy: -69.258 tors. eta vs tors. theta energy: -92.812 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: 7, replica: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1279.852336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.852336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.852336 (E_RNA) where: Base-Base interactions energy: -833.224 where: short stacking energy: -352.511 Base-Backbone interact. energy: -1.004 local terms energy: -445.624964 where: bonds (distance) C4'-P energy: -97.429 bonds (distance) P-C4' energy: -108.171 flat angles C4'-P-C4' energy: -98.558 flat angles P-C4'-P energy: -66.498 tors. eta vs tors. theta energy: -74.969 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: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1062.933744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.933744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.933744 (E_RNA) where: Base-Base interactions energy: -641.586 where: short stacking energy: -314.798 Base-Backbone interact. energy: -3.559 local terms energy: -417.788541 where: bonds (distance) C4'-P energy: -93.235 bonds (distance) P-C4' energy: -100.910 flat angles C4'-P-C4' energy: -108.197 flat angles P-C4'-P energy: -72.694 tors. eta vs tors. theta energy: -42.752 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: 9, replica: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -773.019837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.019837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.019837 (E_RNA) where: Base-Base interactions energy: -407.988 where: short stacking energy: -210.438 Base-Backbone interact. energy: -0.298 local terms energy: -364.733895 where: bonds (distance) C4'-P energy: -102.702 bonds (distance) P-C4' energy: -108.212 flat angles C4'-P-C4' energy: -97.161 flat angles P-C4'-P energy: -48.711 tors. eta vs tors. theta energy: -7.948 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: 10, replica: 3 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -579.125607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.125607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.125607 (E_RNA) where: Base-Base interactions energy: -246.518 where: short stacking energy: -137.718 Base-Backbone interact. energy: 8.737 local terms energy: -341.345313 where: bonds (distance) C4'-P energy: -111.638 bonds (distance) P-C4' energy: -91.485 flat angles C4'-P-C4' energy: -90.345 flat angles P-C4'-P energy: -71.183 tors. eta vs tors. theta energy: 23.306 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: 77 Temperature: 0.900000 Total energy: -2052.202414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.202414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.202414 (E_RNA) where: Base-Base interactions energy: -1403.004 where: short stacking energy: -613.716 Base-Backbone interact. energy: 0.050 local terms energy: -649.247691 where: bonds (distance) C4'-P energy: -114.456 bonds (distance) P-C4' energy: -118.375 flat angles C4'-P-C4' energy: -145.658 flat angles P-C4'-P energy: -95.702 tors. eta vs tors. theta energy: -175.056 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: 9 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1958.185038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.185038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.185038 (E_RNA) where: Base-Base interactions energy: -1304.666 where: short stacking energy: -600.482 Base-Backbone interact. energy: -2.401 local terms energy: -651.118078 where: bonds (distance) C4'-P energy: -131.560 bonds (distance) P-C4' energy: -128.992 flat angles C4'-P-C4' energy: -130.478 flat angles P-C4'-P energy: -92.242 tors. eta vs tors. theta energy: -167.846 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: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1880.209213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.209213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.209213 (E_RNA) where: Base-Base interactions energy: -1256.804 where: short stacking energy: -534.687 Base-Backbone interact. energy: -0.608 local terms energy: -622.796857 where: bonds (distance) C4'-P energy: -120.810 bonds (distance) P-C4' energy: -132.454 flat angles C4'-P-C4' energy: -142.354 flat angles P-C4'-P energy: -83.084 tors. eta vs tors. theta energy: -144.095 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: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1659.174817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.174817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.174817 (E_RNA) where: Base-Base interactions energy: -1104.197 where: short stacking energy: -513.792 Base-Backbone interact. energy: -2.877 local terms energy: -552.100645 where: bonds (distance) C4'-P energy: -114.650 bonds (distance) P-C4' energy: -114.634 flat angles C4'-P-C4' energy: -121.775 flat angles P-C4'-P energy: -73.310 tors. eta vs tors. theta energy: -127.731 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: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1553.934171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.934171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.934171 (E_RNA) where: Base-Base interactions energy: -1001.097 where: short stacking energy: -446.403 Base-Backbone interact. energy: -3.127 local terms energy: -549.709709 where: bonds (distance) C4'-P energy: -118.595 bonds (distance) P-C4' energy: -114.598 flat angles C4'-P-C4' energy: -123.605 flat angles P-C4'-P energy: -79.208 tors. eta vs tors. theta energy: -113.703 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: 6, replica: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1544.421217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.421217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.421217 (E_RNA) where: Base-Base interactions energy: -1043.214 where: short stacking energy: -455.902 Base-Backbone interact. energy: 0.392 local terms energy: -501.599196 where: bonds (distance) C4'-P energy: -100.556 bonds (distance) P-C4' energy: -100.333 flat angles C4'-P-C4' energy: -122.026 flat angles P-C4'-P energy: -64.958 tors. eta vs tors. theta energy: -113.726 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: 7, replica: 8 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1293.716062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.716062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.716062 (E_RNA) where: Base-Base interactions energy: -856.614 where: short stacking energy: -383.033 Base-Backbone interact. energy: 1.635 local terms energy: -438.737679 where: bonds (distance) C4'-P energy: -110.077 bonds (distance) P-C4' energy: -85.693 flat angles C4'-P-C4' energy: -101.283 flat angles P-C4'-P energy: -57.859 tors. eta vs tors. theta energy: -83.826 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: 8, replica: 6 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1098.647168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.647168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.647168 (E_RNA) where: Base-Base interactions energy: -681.030 where: short stacking energy: -293.589 Base-Backbone interact. energy: -4.764 local terms energy: -412.852803 where: bonds (distance) C4'-P energy: -85.999 bonds (distance) P-C4' energy: -102.162 flat angles C4'-P-C4' energy: -126.564 flat angles P-C4'-P energy: -58.793 tors. eta vs tors. theta energy: -39.334 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: 9, replica: 2 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -748.616905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.616905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.616905 (E_RNA) where: Base-Base interactions energy: -399.169 where: short stacking energy: -202.116 Base-Backbone interact. energy: -0.491 local terms energy: -348.957297 where: bonds (distance) C4'-P energy: -95.832 bonds (distance) P-C4' energy: -100.302 flat angles C4'-P-C4' energy: -89.265 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: -8.609 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: 3 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -607.362785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.362785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.362785 (E_RNA) where: Base-Base interactions energy: -289.445 where: short stacking energy: -164.059 Base-Backbone interact. energy: 4.011 local terms energy: -321.928630 where: bonds (distance) C4'-P energy: -105.148 bonds (distance) P-C4' energy: -102.115 flat angles C4'-P-C4' energy: -70.262 flat angles P-C4'-P energy: -49.417 tors. eta vs tors. theta energy: 5.013 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: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2073.822205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.822205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.822205 (E_RNA) where: Base-Base interactions energy: -1415.301 where: short stacking energy: -601.721 Base-Backbone interact. energy: -5.978 local terms energy: -652.543763 where: bonds (distance) C4'-P energy: -121.664 bonds (distance) P-C4' energy: -128.977 flat angles C4'-P-C4' energy: -129.268 flat angles P-C4'-P energy: -96.457 tors. eta vs tors. theta energy: -176.177 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: 9 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1944.150578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.150578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.150578 (E_RNA) where: Base-Base interactions energy: -1278.699 where: short stacking energy: -570.419 Base-Backbone interact. energy: 0.303 local terms energy: -665.754600 where: bonds (distance) C4'-P energy: -120.474 bonds (distance) P-C4' energy: -125.781 flat angles C4'-P-C4' energy: -152.746 flat angles P-C4'-P energy: -92.889 tors. eta vs tors. theta energy: -173.866 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: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1870.441884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.441884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.441884 (E_RNA) where: Base-Base interactions energy: -1284.596 where: short stacking energy: -537.329 Base-Backbone interact. energy: -5.827 local terms energy: -580.019305 where: bonds (distance) C4'-P energy: -101.437 bonds (distance) P-C4' energy: -124.000 flat angles C4'-P-C4' energy: -126.435 flat angles P-C4'-P energy: -82.178 tors. eta vs tors. theta energy: -145.969 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: 7 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1706.547018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.547018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.547018 (E_RNA) where: Base-Base interactions energy: -1129.557 where: short stacking energy: -481.095 Base-Backbone interact. energy: -1.224 local terms energy: -575.766306 where: bonds (distance) C4'-P energy: -94.198 bonds (distance) P-C4' energy: -121.973 flat angles C4'-P-C4' energy: -138.632 flat angles P-C4'-P energy: -81.542 tors. eta vs tors. theta energy: -139.421 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: 78 Temperature: 1.100000 Total energy: -1638.491621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.491621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.491621 (E_RNA) where: Base-Base interactions energy: -1059.994 where: short stacking energy: -469.433 Base-Backbone interact. energy: 0.346 local terms energy: -578.843759 where: bonds (distance) C4'-P energy: -103.315 bonds (distance) P-C4' energy: -116.655 flat angles C4'-P-C4' energy: -131.615 flat angles P-C4'-P energy: -88.798 tors. eta vs tors. theta energy: -138.461 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: 10 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1529.024976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.024976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.024976 (E_RNA) where: Base-Base interactions energy: -1003.587 where: short stacking energy: -444.876 Base-Backbone interact. energy: 1.620 local terms energy: -527.057751 where: bonds (distance) C4'-P energy: -107.738 bonds (distance) P-C4' energy: -113.051 flat angles C4'-P-C4' energy: -122.001 flat angles P-C4'-P energy: -77.891 tors. eta vs tors. theta energy: -106.377 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: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1103.020615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.020615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.020615 (E_RNA) where: Base-Base interactions energy: -691.518 where: short stacking energy: -314.334 Base-Backbone interact. energy: -3.101 local terms energy: -408.401899 where: bonds (distance) C4'-P energy: -84.496 bonds (distance) P-C4' energy: -103.420 flat angles C4'-P-C4' energy: -108.775 flat angles P-C4'-P energy: -66.416 tors. eta vs tors. theta energy: -45.295 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: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1094.770731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.770731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.770731 (E_RNA) where: Base-Base interactions energy: -688.692 where: short stacking energy: -324.593 Base-Backbone interact. energy: -1.888 local terms energy: -404.190570 where: bonds (distance) C4'-P energy: -95.198 bonds (distance) P-C4' energy: -100.846 flat angles C4'-P-C4' energy: -102.889 flat angles P-C4'-P energy: -56.322 tors. eta vs tors. theta energy: -48.935 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: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -729.018488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.018488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.018488 (E_RNA) where: Base-Base interactions energy: -367.353 where: short stacking energy: -207.747 Base-Backbone interact. energy: 8.344 local terms energy: -370.009741 where: bonds (distance) C4'-P energy: -113.044 bonds (distance) P-C4' energy: -104.957 flat angles C4'-P-C4' energy: -89.413 flat angles P-C4'-P energy: -61.621 tors. eta vs tors. theta energy: -0.974 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: 3 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -573.545202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.545202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.545202 (E_RNA) where: Base-Base interactions energy: -263.445 where: short stacking energy: -156.286 Base-Backbone interact. energy: 9.309 local terms energy: -319.409286 where: bonds (distance) C4'-P energy: -90.629 bonds (distance) P-C4' energy: -105.581 flat angles C4'-P-C4' energy: -96.624 flat angles P-C4'-P energy: -35.552 tors. eta vs tors. theta energy: 8.977 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: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2095.771242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.771242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.771242 (E_RNA) where: Base-Base interactions energy: -1446.982 where: short stacking energy: -618.475 Base-Backbone interact. energy: -2.861 local terms energy: -645.927998 where: bonds (distance) C4'-P energy: -116.036 bonds (distance) P-C4' energy: -120.166 flat angles C4'-P-C4' energy: -146.154 flat angles P-C4'-P energy: -86.831 tors. eta vs tors. theta energy: -176.741 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: 4 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1938.635940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.635940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.635940 (E_RNA) where: Base-Base interactions energy: -1323.604 where: short stacking energy: -551.368 Base-Backbone interact. energy: 0.274 local terms energy: -615.306621 where: bonds (distance) C4'-P energy: -121.250 bonds (distance) P-C4' energy: -120.727 flat angles C4'-P-C4' energy: -130.227 flat angles P-C4'-P energy: -93.838 tors. eta vs tors. theta energy: -149.264 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: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1872.673121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.673121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.673121 (E_RNA) where: Base-Base interactions energy: -1229.164 where: short stacking energy: -553.113 Base-Backbone interact. energy: -0.622 local terms energy: -642.886912 where: bonds (distance) C4'-P energy: -127.247 bonds (distance) P-C4' energy: -117.034 flat angles C4'-P-C4' energy: -142.169 flat angles P-C4'-P energy: -91.002 tors. eta vs tors. theta energy: -165.434 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: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1713.218648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.218648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.218648 (E_RNA) where: Base-Base interactions energy: -1122.428 where: short stacking energy: -500.985 Base-Backbone interact. energy: 0.298 local terms energy: -591.088530 where: bonds (distance) C4'-P energy: -109.612 bonds (distance) P-C4' energy: -129.584 flat angles C4'-P-C4' energy: -119.911 flat angles P-C4'-P energy: -93.632 tors. eta vs tors. theta energy: -138.350 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: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1624.097291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.097291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.097291 (E_RNA) where: Base-Base interactions energy: -1093.763 where: short stacking energy: -474.472 Base-Backbone interact. energy: 2.854 local terms energy: -533.188417 where: bonds (distance) C4'-P energy: -102.768 bonds (distance) P-C4' energy: -97.640 flat angles C4'-P-C4' energy: -127.799 flat angles P-C4'-P energy: -78.164 tors. eta vs tors. theta energy: -126.818 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: 6, replica: 10 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1550.043687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.043687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.043687 (E_RNA) where: Base-Base interactions energy: -1018.060 where: short stacking energy: -450.546 Base-Backbone interact. energy: -5.789 local terms energy: -526.195021 where: bonds (distance) C4'-P energy: -99.862 bonds (distance) P-C4' energy: -118.135 flat angles C4'-P-C4' energy: -114.717 flat angles P-C4'-P energy: -83.574 tors. eta vs tors. theta energy: -109.906 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: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1170.380622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.380622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.380622 (E_RNA) where: Base-Base interactions energy: -726.953 where: short stacking energy: -336.800 Base-Backbone interact. energy: -2.882 local terms energy: -440.545898 where: bonds (distance) C4'-P energy: -99.607 bonds (distance) P-C4' energy: -102.861 flat angles C4'-P-C4' energy: -113.683 flat angles P-C4'-P energy: -61.916 tors. eta vs tors. theta energy: -62.479 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: 8, replica: 8 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1069.924735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.924735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.924735 (E_RNA) where: Base-Base interactions energy: -675.655 where: short stacking energy: -321.589 Base-Backbone interact. energy: 2.391 local terms energy: -396.660768 where: bonds (distance) C4'-P energy: -82.841 bonds (distance) P-C4' energy: -107.786 flat angles C4'-P-C4' energy: -96.833 flat angles P-C4'-P energy: -57.850 tors. eta vs tors. theta energy: -51.351 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: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -747.599590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.599590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.599590 (E_RNA) where: Base-Base interactions energy: -369.424 where: short stacking energy: -198.260 Base-Backbone interact. energy: -1.747 local terms energy: -376.428873 where: bonds (distance) C4'-P energy: -94.366 bonds (distance) P-C4' energy: -110.713 flat angles C4'-P-C4' energy: -116.306 flat angles P-C4'-P energy: -47.543 tors. eta vs tors. theta energy: -7.502 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: 10, replica: 3 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -602.536592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.536592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.536592 (E_RNA) where: Base-Base interactions energy: -253.607 where: short stacking energy: -134.026 Base-Backbone interact. energy: 0.311 local terms energy: -349.240001 where: bonds (distance) C4'-P energy: -107.339 bonds (distance) P-C4' energy: -107.928 flat angles C4'-P-C4' energy: -85.033 flat angles P-C4'-P energy: -60.327 tors. eta vs tors. theta energy: 11.387 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: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2052.311530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.311530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.311530 (E_RNA) where: Base-Base interactions energy: -1413.401 where: short stacking energy: -608.150 Base-Backbone interact. energy: -2.233 local terms energy: -636.677793 where: bonds (distance) C4'-P energy: -120.062 bonds (distance) P-C4' energy: -129.717 flat angles C4'-P-C4' energy: -134.909 flat angles P-C4'-P energy: -83.921 tors. eta vs tors. theta energy: -168.070 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: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1936.930421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.930421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.930421 (E_RNA) where: Base-Base interactions energy: -1302.827 where: short stacking energy: -561.455 Base-Backbone interact. energy: -0.473 local terms energy: -633.630363 where: bonds (distance) C4'-P energy: -135.692 bonds (distance) P-C4' energy: -117.372 flat angles C4'-P-C4' energy: -132.797 flat angles P-C4'-P energy: -90.144 tors. eta vs tors. theta energy: -157.625 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: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1904.795587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.795587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.795587 (E_RNA) where: Base-Base interactions energy: -1270.622 where: short stacking energy: -556.659 Base-Backbone interact. energy: -3.948 local terms energy: -630.226295 where: bonds (distance) C4'-P energy: -126.265 bonds (distance) P-C4' energy: -124.873 flat angles C4'-P-C4' energy: -130.923 flat angles P-C4'-P energy: -91.113 tors. eta vs tors. theta energy: -157.052 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: 4, replica: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1731.998266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.998266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.998266 (E_RNA) where: Base-Base interactions energy: -1131.892 where: short stacking energy: -493.091 Base-Backbone interact. energy: 1.530 local terms energy: -601.635858 where: bonds (distance) C4'-P energy: -121.417 bonds (distance) P-C4' energy: -124.270 flat angles C4'-P-C4' energy: -127.216 flat angles P-C4'-P energy: -92.776 tors. eta vs tors. theta energy: -135.957 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: 5, replica: 1 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1667.705380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.705380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.705380 (E_RNA) where: Base-Base interactions energy: -1125.007 where: short stacking energy: -466.517 Base-Backbone interact. energy: -1.141 local terms energy: -541.557793 where: bonds (distance) C4'-P energy: -105.968 bonds (distance) P-C4' energy: -118.810 flat angles C4'-P-C4' energy: -120.932 flat angles P-C4'-P energy: -65.552 tors. eta vs tors. theta energy: -130.296 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: 6, replica: 10 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1515.720878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.720878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.720878 (E_RNA) where: Base-Base interactions energy: -984.655 where: short stacking energy: -423.784 Base-Backbone interact. energy: -0.871 local terms energy: -530.195272 where: bonds (distance) C4'-P energy: -118.948 bonds (distance) P-C4' energy: -108.245 flat angles C4'-P-C4' energy: -112.057 flat angles P-C4'-P energy: -88.995 tors. eta vs tors. theta energy: -101.950 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: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1140.507204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.507204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.507204 (E_RNA) where: Base-Base interactions energy: -706.920 where: short stacking energy: -326.923 Base-Backbone interact. energy: -1.564 local terms energy: -432.023559 where: bonds (distance) C4'-P energy: -107.501 bonds (distance) P-C4' energy: -111.569 flat angles C4'-P-C4' energy: -104.993 flat angles P-C4'-P energy: -52.043 tors. eta vs tors. theta energy: -55.918 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: 8, replica: 8 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1076.967220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.967220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.967220 (E_RNA) where: Base-Base interactions energy: -642.780 where: short stacking energy: -313.499 Base-Backbone interact. energy: -1.741 local terms energy: -432.446720 where: bonds (distance) C4'-P energy: -98.920 bonds (distance) P-C4' energy: -104.356 flat angles C4'-P-C4' energy: -106.005 flat angles P-C4'-P energy: -78.517 tors. eta vs tors. theta energy: -44.649 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: 9, replica: 2 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -773.536801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.536801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.536801 (E_RNA) where: Base-Base interactions energy: -423.527 where: short stacking energy: -213.985 Base-Backbone interact. energy: -0.979 local terms energy: -349.031115 where: bonds (distance) C4'-P energy: -97.070 bonds (distance) P-C4' energy: -88.168 flat angles C4'-P-C4' energy: -103.950 flat angles P-C4'-P energy: -40.149 tors. eta vs tors. theta energy: -19.693 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: 3 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -601.165823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.165823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.165823 (E_RNA) where: Base-Base interactions energy: -275.660 where: short stacking energy: -159.510 Base-Backbone interact. energy: -2.253 local terms energy: -323.252538 where: bonds (distance) C4'-P energy: -101.589 bonds (distance) P-C4' energy: -97.963 flat angles C4'-P-C4' energy: -93.638 flat angles P-C4'-P energy: -39.614 tors. eta vs tors. theta energy: 9.551 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: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2066.362826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.362826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.362826 (E_RNA) where: Base-Base interactions energy: -1404.251 where: short stacking energy: -605.847 Base-Backbone interact. energy: -3.391 local terms energy: -658.720556 where: bonds (distance) C4'-P energy: -135.323 bonds (distance) P-C4' energy: -127.833 flat angles C4'-P-C4' energy: -137.317 flat angles P-C4'-P energy: -86.360 tors. eta vs tors. theta energy: -171.889 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: 2, replica: 9 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1930.262412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.262412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.262412 (E_RNA) where: Base-Base interactions energy: -1272.527 where: short stacking energy: -560.321 Base-Backbone interact. energy: 0.029 local terms energy: -657.764680 where: bonds (distance) C4'-P energy: -124.337 bonds (distance) P-C4' energy: -138.818 flat angles C4'-P-C4' energy: -129.823 flat angles P-C4'-P energy: -94.893 tors. eta vs tors. theta energy: -169.893 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: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1916.032216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.032216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.032216 (E_RNA) where: Base-Base interactions energy: -1308.277 where: short stacking energy: -561.573 Base-Backbone interact. energy: -1.697 local terms energy: -606.058481 where: bonds (distance) C4'-P energy: -110.775 bonds (distance) P-C4' energy: -115.217 flat angles C4'-P-C4' energy: -132.753 flat angles P-C4'-P energy: -99.954 tors. eta vs tors. theta energy: -147.360 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: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1735.957620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.957620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.957620 (E_RNA) where: Base-Base interactions energy: -1156.029 where: short stacking energy: -519.636 Base-Backbone interact. energy: 0.374 local terms energy: -580.302571 where: bonds (distance) C4'-P energy: -114.182 bonds (distance) P-C4' energy: -119.313 flat angles C4'-P-C4' energy: -125.254 flat angles P-C4'-P energy: -74.544 tors. eta vs tors. theta energy: -147.010 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: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1630.557782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.557782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.557782 (E_RNA) where: Base-Base interactions energy: -1092.611 where: short stacking energy: -451.777 Base-Backbone interact. energy: -2.495 local terms energy: -535.452187 where: bonds (distance) C4'-P energy: -104.887 bonds (distance) P-C4' energy: -118.591 flat angles C4'-P-C4' energy: -125.479 flat angles P-C4'-P energy: -75.634 tors. eta vs tors. theta energy: -110.861 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: 6, replica: 10 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1474.110693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.110693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.110693 (E_RNA) where: Base-Base interactions energy: -996.488 where: short stacking energy: -444.207 Base-Backbone interact. energy: -0.332 local terms energy: -477.290630 where: bonds (distance) C4'-P energy: -86.683 bonds (distance) P-C4' energy: -105.957 flat angles C4'-P-C4' energy: -111.635 flat angles P-C4'-P energy: -76.537 tors. eta vs tors. theta energy: -96.479 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: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1215.438471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.438471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.438471 (E_RNA) where: Base-Base interactions energy: -761.386 where: short stacking energy: -349.810 Base-Backbone interact. energy: -4.730 local terms energy: -449.322712 where: bonds (distance) C4'-P energy: -100.481 bonds (distance) P-C4' energy: -96.089 flat angles C4'-P-C4' energy: -100.030 flat angles P-C4'-P energy: -77.739 tors. eta vs tors. theta energy: -74.984 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: 8, replica: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1040.213508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.213508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.213508 (E_RNA) where: Base-Base interactions energy: -624.643 where: short stacking energy: -293.429 Base-Backbone interact. energy: -2.767 local terms energy: -412.802652 where: bonds (distance) C4'-P energy: -111.299 bonds (distance) P-C4' energy: -90.526 flat angles C4'-P-C4' energy: -102.976 flat angles P-C4'-P energy: -69.094 tors. eta vs tors. theta energy: -38.908 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: 9, replica: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -744.244327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.244327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.244327 (E_RNA) where: Base-Base interactions energy: -395.169 where: short stacking energy: -208.859 Base-Backbone interact. energy: -3.012 local terms energy: -346.062713 where: bonds (distance) C4'-P energy: -90.333 bonds (distance) P-C4' energy: -109.869 flat angles C4'-P-C4' energy: -99.545 flat angles P-C4'-P energy: -43.072 tors. eta vs tors. theta energy: -3.245 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: 3 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -589.353092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.353092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.353092 (E_RNA) where: Base-Base interactions energy: -264.062 where: short stacking energy: -163.909 Base-Backbone interact. energy: 2.160 local terms energy: -327.451006 where: bonds (distance) C4'-P energy: -99.148 bonds (distance) P-C4' energy: -113.535 flat angles C4'-P-C4' energy: -70.380 flat angles P-C4'-P energy: -47.985 tors. eta vs tors. theta energy: 3.597 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: 82 Temperature: 0.900000 Total energy: -2077.475094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.475094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.475094 (E_RNA) where: Base-Base interactions energy: -1409.248 where: short stacking energy: -604.013 Base-Backbone interact. energy: -0.894 local terms energy: -667.332360 where: bonds (distance) C4'-P energy: -129.320 bonds (distance) P-C4' energy: -140.736 flat angles C4'-P-C4' energy: -132.568 flat angles P-C4'-P energy: -94.432 tors. eta vs tors. theta energy: -170.277 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: 9 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1955.350367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.350367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.350367 (E_RNA) where: Base-Base interactions energy: -1323.055 where: short stacking energy: -591.829 Base-Backbone interact. energy: -1.852 local terms energy: -630.443894 where: bonds (distance) C4'-P energy: -114.543 bonds (distance) P-C4' energy: -129.832 flat angles C4'-P-C4' energy: -130.846 flat angles P-C4'-P energy: -92.984 tors. eta vs tors. theta energy: -162.239 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: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1886.516363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.516363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.516363 (E_RNA) where: Base-Base interactions energy: -1283.504 where: short stacking energy: -554.216 Base-Backbone interact. energy: -3.202 local terms energy: -599.810299 where: bonds (distance) C4'-P energy: -102.432 bonds (distance) P-C4' energy: -111.347 flat angles C4'-P-C4' energy: -140.077 flat angles P-C4'-P energy: -94.123 tors. eta vs tors. theta energy: -151.831 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: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1725.279825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.279825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.279825 (E_RNA) where: Base-Base interactions energy: -1135.409 where: short stacking energy: -508.591 Base-Backbone interact. energy: -2.266 local terms energy: -587.604255 where: bonds (distance) C4'-P energy: -106.557 bonds (distance) P-C4' energy: -123.582 flat angles C4'-P-C4' energy: -132.619 flat angles P-C4'-P energy: -83.534 tors. eta vs tors. theta energy: -141.312 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: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1657.256439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.256439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.256439 (E_RNA) where: Base-Base interactions energy: -1096.661 where: short stacking energy: -461.346 Base-Backbone interact. energy: -3.395 local terms energy: -557.199968 where: bonds (distance) C4'-P energy: -110.703 bonds (distance) P-C4' energy: -120.035 flat angles C4'-P-C4' energy: -133.457 flat angles P-C4'-P energy: -77.847 tors. eta vs tors. theta energy: -115.158 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: 6, replica: 10 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1502.118827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.118827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.118827 (E_RNA) where: Base-Base interactions energy: -983.621 where: short stacking energy: -424.178 Base-Backbone interact. energy: 0.023 local terms energy: -518.521586 where: bonds (distance) C4'-P energy: -118.002 bonds (distance) P-C4' energy: -95.571 flat angles C4'-P-C4' energy: -121.749 flat angles P-C4'-P energy: -81.442 tors. eta vs tors. theta energy: -101.758 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: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1231.879222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.879222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.879222 (E_RNA) where: Base-Base interactions energy: -781.724 where: short stacking energy: -331.228 Base-Backbone interact. energy: 3.046 local terms energy: -453.201233 where: bonds (distance) C4'-P energy: -106.973 bonds (distance) P-C4' energy: -115.362 flat angles C4'-P-C4' energy: -106.053 flat angles P-C4'-P energy: -55.284 tors. eta vs tors. theta energy: -69.529 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: 8 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1048.912296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.912296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.912296 (E_RNA) where: Base-Base interactions energy: -635.179 where: short stacking energy: -292.167 Base-Backbone interact. energy: 0.917 local terms energy: -414.650113 where: bonds (distance) C4'-P energy: -107.116 bonds (distance) P-C4' energy: -111.434 flat angles C4'-P-C4' energy: -84.641 flat angles P-C4'-P energy: -73.421 tors. eta vs tors. theta energy: -38.038 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: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -679.497886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.497886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.497886 (E_RNA) where: Base-Base interactions energy: -345.216 where: short stacking energy: -193.782 Base-Backbone interact. energy: -2.741 local terms energy: -331.541453 where: bonds (distance) C4'-P energy: -92.032 bonds (distance) P-C4' energy: -91.966 flat angles C4'-P-C4' energy: -93.381 flat angles P-C4'-P energy: -57.876 tors. eta vs tors. theta energy: 3.714 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: 10, replica: 3 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -612.175942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.175942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.175942 (E_RNA) where: Base-Base interactions energy: -305.679 where: short stacking energy: -202.274 Base-Backbone interact. energy: 1.650 local terms energy: -308.146888 where: bonds (distance) C4'-P energy: -92.174 bonds (distance) P-C4' energy: -97.435 flat angles C4'-P-C4' energy: -80.043 flat angles P-C4'-P energy: -39.641 tors. eta vs tors. theta energy: 1.146 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: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2091.708042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.708042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.708042 (E_RNA) where: Base-Base interactions energy: -1424.782 where: short stacking energy: -597.812 Base-Backbone interact. energy: -5.368 local terms energy: -661.557790 where: bonds (distance) C4'-P energy: -114.434 bonds (distance) P-C4' energy: -129.662 flat angles C4'-P-C4' energy: -135.458 flat angles P-C4'-P energy: -101.303 tors. eta vs tors. theta energy: -180.701 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: 2, replica: 9 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1950.960654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.960654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.960654 (E_RNA) where: Base-Base interactions energy: -1295.826 where: short stacking energy: -554.115 Base-Backbone interact. energy: 0.889 local terms energy: -656.023781 where: bonds (distance) C4'-P energy: -127.257 bonds (distance) P-C4' energy: -131.733 flat angles C4'-P-C4' energy: -143.329 flat angles P-C4'-P energy: -89.742 tors. eta vs tors. theta energy: -163.963 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: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1890.262163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.262163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.262163 (E_RNA) where: Base-Base interactions energy: -1303.933 where: short stacking energy: -554.452 Base-Backbone interact. energy: -3.857 local terms energy: -582.472007 where: bonds (distance) C4'-P energy: -114.552 bonds (distance) P-C4' energy: -120.575 flat angles C4'-P-C4' energy: -125.137 flat angles P-C4'-P energy: -81.230 tors. eta vs tors. theta energy: -140.978 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: 83 Temperature: 1.050000 Total energy: -1759.549763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.549763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.549763 (E_RNA) where: Base-Base interactions energy: -1190.008 where: short stacking energy: -512.936 Base-Backbone interact. energy: -4.366 local terms energy: -565.176333 where: bonds (distance) C4'-P energy: -106.045 bonds (distance) P-C4' energy: -104.638 flat angles C4'-P-C4' energy: -109.469 flat angles P-C4'-P energy: -100.947 tors. eta vs tors. theta energy: -144.077 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: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1649.015882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.015882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.015882 (E_RNA) where: Base-Base interactions energy: -1092.905 where: short stacking energy: -491.695 Base-Backbone interact. energy: -1.906 local terms energy: -554.204736 where: bonds (distance) C4'-P energy: -114.070 bonds (distance) P-C4' energy: -111.079 flat angles C4'-P-C4' energy: -129.444 flat angles P-C4'-P energy: -68.863 tors. eta vs tors. theta energy: -130.749 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: 6, replica: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1481.255744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.255744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.255744 (E_RNA) where: Base-Base interactions energy: -966.331 where: short stacking energy: -395.076 Base-Backbone interact. energy: 0.180 local terms energy: -515.104924 where: bonds (distance) C4'-P energy: -120.870 bonds (distance) P-C4' energy: -111.494 flat angles C4'-P-C4' energy: -106.032 flat angles P-C4'-P energy: -75.151 tors. eta vs tors. theta energy: -101.557 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: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1140.446496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.446496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.446496 (E_RNA) where: Base-Base interactions energy: -731.056 where: short stacking energy: -334.645 Base-Backbone interact. energy: 7.416 local terms energy: -416.806781 where: bonds (distance) C4'-P energy: -90.936 bonds (distance) P-C4' energy: -123.422 flat angles C4'-P-C4' energy: -83.085 flat angles P-C4'-P energy: -68.141 tors. eta vs tors. theta energy: -51.223 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: 8, replica: 8 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1076.654073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.654073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.654073 (E_RNA) where: Base-Base interactions energy: -649.352 where: short stacking energy: -300.228 Base-Backbone interact. energy: -0.506 local terms energy: -426.796237 where: bonds (distance) C4'-P energy: -107.123 bonds (distance) P-C4' energy: -93.247 flat angles C4'-P-C4' energy: -102.590 flat angles P-C4'-P energy: -66.468 tors. eta vs tors. theta energy: -57.369 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: 2 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -718.297544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.297544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.297544 (E_RNA) where: Base-Base interactions energy: -362.542 where: short stacking energy: -228.729 Base-Backbone interact. energy: 0.588 local terms energy: -356.342667 where: bonds (distance) C4'-P energy: -82.387 bonds (distance) P-C4' energy: -98.432 flat angles C4'-P-C4' energy: -85.230 flat angles P-C4'-P energy: -73.530 tors. eta vs tors. theta energy: -16.765 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: 10, replica: 3 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -625.255311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.255311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.255311 (E_RNA) where: Base-Base interactions energy: -273.286 where: short stacking energy: -180.111 Base-Backbone interact. energy: -4.152 local terms energy: -347.816724 where: bonds (distance) C4'-P energy: -95.345 bonds (distance) P-C4' energy: -114.500 flat angles C4'-P-C4' energy: -88.702 flat angles P-C4'-P energy: -57.551 tors. eta vs tors. theta energy: 8.281 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: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2090.977213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.977213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.977213 (E_RNA) where: Base-Base interactions energy: -1445.972 where: short stacking energy: -611.710 Base-Backbone interact. energy: -0.370 local terms energy: -644.635294 where: bonds (distance) C4'-P energy: -116.418 bonds (distance) P-C4' energy: -126.164 flat angles C4'-P-C4' energy: -139.967 flat angles P-C4'-P energy: -88.817 tors. eta vs tors. theta energy: -173.269 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: 9 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1956.645480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.645480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.645480 (E_RNA) where: Base-Base interactions energy: -1317.641 where: short stacking energy: -556.981 Base-Backbone interact. energy: -0.809 local terms energy: -638.195795 where: bonds (distance) C4'-P energy: -130.988 bonds (distance) P-C4' energy: -96.383 flat angles C4'-P-C4' energy: -140.665 flat angles P-C4'-P energy: -102.187 tors. eta vs tors. theta energy: -167.973 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: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1881.416345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.416345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.416345 (E_RNA) where: Base-Base interactions energy: -1246.586 where: short stacking energy: -550.079 Base-Backbone interact. energy: -3.465 local terms energy: -631.364576 where: bonds (distance) C4'-P energy: -122.044 bonds (distance) P-C4' energy: -127.172 flat angles C4'-P-C4' energy: -136.520 flat angles P-C4'-P energy: -97.946 tors. eta vs tors. theta energy: -147.683 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: 1 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1772.364553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.364553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.364553 (E_RNA) where: Base-Base interactions energy: -1207.221 where: short stacking energy: -529.121 Base-Backbone interact. energy: -1.484 local terms energy: -563.659985 where: bonds (distance) C4'-P energy: -121.504 bonds (distance) P-C4' energy: -121.054 flat angles C4'-P-C4' energy: -98.638 flat angles P-C4'-P energy: -92.363 tors. eta vs tors. theta energy: -130.101 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: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1660.010875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.010875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.010875 (E_RNA) where: Base-Base interactions energy: -1089.041 where: short stacking energy: -470.699 Base-Backbone interact. energy: 3.093 local terms energy: -574.063579 where: bonds (distance) C4'-P energy: -110.004 bonds (distance) P-C4' energy: -114.626 flat angles C4'-P-C4' energy: -135.179 flat angles P-C4'-P energy: -85.196 tors. eta vs tors. theta energy: -129.059 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: 6, replica: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1514.304375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.304375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.304375 (E_RNA) where: Base-Base interactions energy: -955.458 where: short stacking energy: -419.533 Base-Backbone interact. energy: 3.318 local terms energy: -562.164653 where: bonds (distance) C4'-P energy: -114.318 bonds (distance) P-C4' energy: -118.955 flat angles C4'-P-C4' energy: -126.622 flat angles P-C4'-P energy: -87.429 tors. eta vs tors. theta energy: -114.840 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: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1122.369665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.369665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.369665 (E_RNA) where: Base-Base interactions energy: -697.175 where: short stacking energy: -308.318 Base-Backbone interact. energy: 5.272 local terms energy: -430.466894 where: bonds (distance) C4'-P energy: -116.117 bonds (distance) P-C4' energy: -103.058 flat angles C4'-P-C4' energy: -89.586 flat angles P-C4'-P energy: -70.662 tors. eta vs tors. theta energy: -51.045 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: 8 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1053.385095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.385095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.385095 (E_RNA) where: Base-Base interactions energy: -649.539 where: short stacking energy: -303.031 Base-Backbone interact. energy: -2.621 local terms energy: -401.225243 where: bonds (distance) C4'-P energy: -97.511 bonds (distance) P-C4' energy: -101.676 flat angles C4'-P-C4' energy: -86.012 flat angles P-C4'-P energy: -61.288 tors. eta vs tors. theta energy: -54.738 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: 9, replica: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -720.246531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.246531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.246531 (E_RNA) where: Base-Base interactions energy: -361.534 where: short stacking energy: -235.526 Base-Backbone interact. energy: 0.825 local terms energy: -359.537390 where: bonds (distance) C4'-P energy: -90.915 bonds (distance) P-C4' energy: -82.652 flat angles C4'-P-C4' energy: -109.290 flat angles P-C4'-P energy: -51.579 tors. eta vs tors. theta energy: -25.102 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: 10, replica: 3 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -629.870931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.870931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.870931 (E_RNA) where: Base-Base interactions energy: -280.094 where: short stacking energy: -188.676 Base-Backbone interact. energy: 2.150 local terms energy: -351.926182 where: bonds (distance) C4'-P energy: -94.633 bonds (distance) P-C4' energy: -106.693 flat angles C4'-P-C4' energy: -85.148 flat angles P-C4'-P energy: -64.169 tors. eta vs tors. theta energy: -1.282 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: 1, replica: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2096.778282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.778282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.778282 (E_RNA) where: Base-Base interactions energy: -1455.182 where: short stacking energy: -616.189 Base-Backbone interact. energy: -1.600 local terms energy: -639.996518 where: bonds (distance) C4'-P energy: -112.481 bonds (distance) P-C4' energy: -120.623 flat angles C4'-P-C4' energy: -137.149 flat angles P-C4'-P energy: -90.879 tors. eta vs tors. theta energy: -178.863 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: 2, replica: 9 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1948.623319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.623319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.623319 (E_RNA) where: Base-Base interactions energy: -1322.148 where: short stacking energy: -579.406 Base-Backbone interact. energy: -1.183 local terms energy: -625.291866 where: bonds (distance) C4'-P energy: -116.044 bonds (distance) P-C4' energy: -123.745 flat angles C4'-P-C4' energy: -138.894 flat angles P-C4'-P energy: -89.799 tors. eta vs tors. theta energy: -156.809 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: 3, replica: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1917.357136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.357136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.357136 (E_RNA) where: Base-Base interactions energy: -1280.822 where: short stacking energy: -576.752 Base-Backbone interact. energy: -2.035 local terms energy: -634.500380 where: bonds (distance) C4'-P energy: -120.680 bonds (distance) P-C4' energy: -139.152 flat angles C4'-P-C4' energy: -125.454 flat angles P-C4'-P energy: -93.464 tors. eta vs tors. theta energy: -155.751 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: 4, replica: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1806.544010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.544010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.544010 (E_RNA) where: Base-Base interactions energy: -1227.824 where: short stacking energy: -544.368 Base-Backbone interact. energy: -4.051 local terms energy: -574.669603 where: bonds (distance) C4'-P energy: -113.202 bonds (distance) P-C4' energy: -110.917 flat angles C4'-P-C4' energy: -118.474 flat angles P-C4'-P energy: -71.027 tors. eta vs tors. theta energy: -161.049 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: 5, replica: 7 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1604.734557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.734557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.734557 (E_RNA) where: Base-Base interactions energy: -1027.779 where: short stacking energy: -437.493 Base-Backbone interact. energy: 1.258 local terms energy: -578.212722 where: bonds (distance) C4'-P energy: -124.103 bonds (distance) P-C4' energy: -117.920 flat angles C4'-P-C4' energy: -127.264 flat angles P-C4'-P energy: -79.953 tors. eta vs tors. theta energy: -128.973 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: 6, replica: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1489.196642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.196642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.196642 (E_RNA) where: Base-Base interactions energy: -983.076 where: short stacking energy: -453.062 Base-Backbone interact. energy: -2.751 local terms energy: -503.369545 where: bonds (distance) C4'-P energy: -91.035 bonds (distance) P-C4' energy: -97.224 flat angles C4'-P-C4' energy: -137.090 flat angles P-C4'-P energy: -67.742 tors. eta vs tors. theta energy: -110.278 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: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1132.280829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.280829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.280829 (E_RNA) where: Base-Base interactions energy: -694.424 where: short stacking energy: -323.296 Base-Backbone interact. energy: -4.055 local terms energy: -433.802535 where: bonds (distance) C4'-P energy: -110.908 bonds (distance) P-C4' energy: -120.621 flat angles C4'-P-C4' energy: -100.704 flat angles P-C4'-P energy: -68.172 tors. eta vs tors. theta energy: -33.399 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: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -992.354805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.354805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.354805 (E_RNA) where: Base-Base interactions energy: -565.890 where: short stacking energy: -294.435 Base-Backbone interact. energy: -2.491 local terms energy: -423.973993 where: bonds (distance) C4'-P energy: -108.589 bonds (distance) P-C4' energy: -102.088 flat angles C4'-P-C4' energy: -92.420 flat angles P-C4'-P energy: -80.799 tors. eta vs tors. theta energy: -40.078 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: 2 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -720.067681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.067681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.067681 (E_RNA) where: Base-Base interactions energy: -356.733 where: short stacking energy: -229.560 Base-Backbone interact. energy: -0.935 local terms energy: -362.399374 where: bonds (distance) C4'-P energy: -104.591 bonds (distance) P-C4' energy: -108.184 flat angles C4'-P-C4' energy: -89.832 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -13.762 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: 10, replica: 3 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -639.897658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.897658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.897658 (E_RNA) where: Base-Base interactions energy: -299.083 where: short stacking energy: -177.990 Base-Backbone interact. energy: -2.445 local terms energy: -338.369838 where: bonds (distance) C4'-P energy: -101.546 bonds (distance) P-C4' energy: -111.875 flat angles C4'-P-C4' energy: -95.321 flat angles P-C4'-P energy: -47.758 tors. eta vs tors. theta energy: 18.131 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: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2101.617188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.617188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.617188 (E_RNA) where: Base-Base interactions energy: -1475.212 where: short stacking energy: -581.519 Base-Backbone interact. energy: -6.235 local terms energy: -620.169431 where: bonds (distance) C4'-P energy: -124.808 bonds (distance) P-C4' energy: -112.230 flat angles C4'-P-C4' energy: -129.418 flat angles P-C4'-P energy: -85.293 tors. eta vs tors. theta energy: -168.420 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: 9 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1951.841932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.841932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.841932 (E_RNA) where: Base-Base interactions energy: -1314.767 where: short stacking energy: -574.675 Base-Backbone interact. energy: -2.336 local terms energy: -634.738348 where: bonds (distance) C4'-P energy: -108.713 bonds (distance) P-C4' energy: -123.100 flat angles C4'-P-C4' energy: -141.961 flat angles P-C4'-P energy: -95.057 tors. eta vs tors. theta energy: -165.908 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: 3, replica: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1881.335197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.335197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.335197 (E_RNA) where: Base-Base interactions energy: -1254.003 where: short stacking energy: -534.810 Base-Backbone interact. energy: -4.082 local terms energy: -623.249661 where: bonds (distance) C4'-P energy: -120.270 bonds (distance) P-C4' energy: -122.732 flat angles C4'-P-C4' energy: -134.220 flat angles P-C4'-P energy: -88.476 tors. eta vs tors. theta energy: -157.553 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: 4, replica: 1 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1870.634885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.634885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.634885 (E_RNA) where: Base-Base interactions energy: -1237.447 where: short stacking energy: -532.117 Base-Backbone interact. energy: 1.056 local terms energy: -634.244228 where: bonds (distance) C4'-P energy: -115.675 bonds (distance) P-C4' energy: -125.521 flat angles C4'-P-C4' energy: -135.403 flat angles P-C4'-P energy: -91.627 tors. eta vs tors. theta energy: -166.018 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: 5, replica: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1590.117498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.117498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.117498 (E_RNA) where: Base-Base interactions energy: -1081.797 where: short stacking energy: -479.579 Base-Backbone interact. energy: 5.937 local terms energy: -514.257701 where: bonds (distance) C4'-P energy: -95.910 bonds (distance) P-C4' energy: -105.828 flat angles C4'-P-C4' energy: -116.088 flat angles P-C4'-P energy: -71.195 tors. eta vs tors. theta energy: -125.236 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: 6, replica: 10 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1466.159185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.159185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.159185 (E_RNA) where: Base-Base interactions energy: -941.534 where: short stacking energy: -436.738 Base-Backbone interact. energy: 3.447 local terms energy: -528.072499 where: bonds (distance) C4'-P energy: -111.804 bonds (distance) P-C4' energy: -109.687 flat angles C4'-P-C4' energy: -120.156 flat angles P-C4'-P energy: -75.120 tors. eta vs tors. theta energy: -111.306 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: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1161.060511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.060511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.060511 (E_RNA) where: Base-Base interactions energy: -703.455 where: short stacking energy: -365.972 Base-Backbone interact. energy: -1.780 local terms energy: -455.825355 where: bonds (distance) C4'-P energy: -110.824 bonds (distance) P-C4' energy: -105.239 flat angles C4'-P-C4' energy: -94.651 flat angles P-C4'-P energy: -80.275 tors. eta vs tors. theta energy: -64.837 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: 8, replica: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1033.032778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.032778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.032778 (E_RNA) where: Base-Base interactions energy: -597.804 where: short stacking energy: -306.797 Base-Backbone interact. energy: -0.332 local terms energy: -434.897297 where: bonds (distance) C4'-P energy: -104.236 bonds (distance) P-C4' energy: -111.067 flat angles C4'-P-C4' energy: -116.150 flat angles P-C4'-P energy: -62.032 tors. eta vs tors. theta energy: -41.412 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: 2 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -737.962755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.962755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.962755 (E_RNA) where: Base-Base interactions energy: -350.901 where: short stacking energy: -190.785 Base-Backbone interact. energy: -0.958 local terms energy: -386.104131 where: bonds (distance) C4'-P energy: -101.924 bonds (distance) P-C4' energy: -106.376 flat angles C4'-P-C4' energy: -105.792 flat angles P-C4'-P energy: -68.843 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -614.517025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.517025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.517025 (E_RNA) where: Base-Base interactions energy: -302.725 where: short stacking energy: -199.193 Base-Backbone interact. energy: 8.290 local terms energy: -320.082285 where: bonds (distance) C4'-P energy: -95.082 bonds (distance) P-C4' energy: -104.363 flat angles C4'-P-C4' energy: -77.947 flat angles P-C4'-P energy: -38.533 tors. eta vs tors. theta energy: -4.157 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: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2080.179758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.179758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.179758 (E_RNA) where: Base-Base interactions energy: -1440.854 where: short stacking energy: -588.158 Base-Backbone interact. energy: -0.783 local terms energy: -638.543223 where: bonds (distance) C4'-P energy: -121.178 bonds (distance) P-C4' energy: -133.317 flat angles C4'-P-C4' energy: -137.323 flat angles P-C4'-P energy: -73.233 tors. eta vs tors. theta energy: -173.491 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: 2, replica: 9 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1953.594666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.594666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.594666 (E_RNA) where: Base-Base interactions energy: -1337.583 where: short stacking energy: -580.849 Base-Backbone interact. energy: -2.252 local terms energy: -613.759414 where: bonds (distance) C4'-P energy: -109.988 bonds (distance) P-C4' energy: -113.156 flat angles C4'-P-C4' energy: -138.862 flat angles P-C4'-P energy: -87.418 tors. eta vs tors. theta energy: -164.335 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: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1895.303723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.303723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.303723 (E_RNA) where: Base-Base interactions energy: -1290.893 where: short stacking energy: -528.549 Base-Backbone interact. energy: -2.319 local terms energy: -602.091560 where: bonds (distance) C4'-P energy: -116.868 bonds (distance) P-C4' energy: -130.790 flat angles C4'-P-C4' energy: -126.572 flat angles P-C4'-P energy: -75.872 tors. eta vs tors. theta energy: -151.989 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: 4, replica: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1854.988563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.988563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.988563 (E_RNA) where: Base-Base interactions energy: -1259.680 where: short stacking energy: -520.896 Base-Backbone interact. energy: -4.013 local terms energy: -591.294996 where: bonds (distance) C4'-P energy: -124.666 bonds (distance) P-C4' energy: -118.144 flat angles C4'-P-C4' energy: -114.174 flat angles P-C4'-P energy: -90.076 tors. eta vs tors. theta energy: -144.234 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: 5, replica: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1574.265523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.265523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.265523 (E_RNA) where: Base-Base interactions energy: -1049.621 where: short stacking energy: -451.665 Base-Backbone interact. energy: -0.163 local terms energy: -524.481595 where: bonds (distance) C4'-P energy: -104.452 bonds (distance) P-C4' energy: -108.529 flat angles C4'-P-C4' energy: -125.366 flat angles P-C4'-P energy: -78.094 tors. eta vs tors. theta energy: -108.040 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: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1505.339837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.339837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.339837 (E_RNA) where: Base-Base interactions energy: -967.489 where: short stacking energy: -435.480 Base-Backbone interact. energy: -1.708 local terms energy: -536.142419 where: bonds (distance) C4'-P energy: -104.337 bonds (distance) P-C4' energy: -120.484 flat angles C4'-P-C4' energy: -125.336 flat angles P-C4'-P energy: -60.642 tors. eta vs tors. theta energy: -125.344 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: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1174.183805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.183805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.183805 (E_RNA) where: Base-Base interactions energy: -710.295 where: short stacking energy: -353.586 Base-Backbone interact. energy: 2.701 local terms energy: -466.590465 where: bonds (distance) C4'-P energy: -105.354 bonds (distance) P-C4' energy: -119.788 flat angles C4'-P-C4' energy: -99.249 flat angles P-C4'-P energy: -74.287 tors. eta vs tors. theta energy: -67.913 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: 8, replica: 8 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1048.872638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.872638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.872638 (E_RNA) where: Base-Base interactions energy: -587.867 where: short stacking energy: -279.039 Base-Backbone interact. energy: -0.113 local terms energy: -460.892268 where: bonds (distance) C4'-P energy: -113.086 bonds (distance) P-C4' energy: -105.392 flat angles C4'-P-C4' energy: -102.082 flat angles P-C4'-P energy: -75.129 tors. eta vs tors. theta energy: -65.204 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: 9, replica: 2 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -833.339453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.339453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.339453 (E_RNA) where: Base-Base interactions energy: -433.341 where: short stacking energy: -219.821 Base-Backbone interact. energy: 5.807 local terms energy: -405.805559 where: bonds (distance) C4'-P energy: -108.404 bonds (distance) P-C4' energy: -105.382 flat angles C4'-P-C4' energy: -97.986 flat angles P-C4'-P energy: -76.316 tors. eta vs tors. theta energy: -17.718 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: 10, replica: 3 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -621.192870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.192870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.192870 (E_RNA) where: Base-Base interactions energy: -298.533 where: short stacking energy: -173.729 Base-Backbone interact. energy: 5.700 local terms energy: -328.360575 where: bonds (distance) C4'-P energy: -109.227 bonds (distance) P-C4' energy: -97.001 flat angles C4'-P-C4' energy: -76.834 flat angles P-C4'-P energy: -66.032 tors. eta vs tors. theta energy: 20.732 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: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2098.031242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.031242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.031242 (E_RNA) where: Base-Base interactions energy: -1436.644 where: short stacking energy: -602.524 Base-Backbone interact. energy: -3.682 local terms energy: -657.705176 where: bonds (distance) C4'-P energy: -121.543 bonds (distance) P-C4' energy: -123.108 flat angles C4'-P-C4' energy: -139.203 flat angles P-C4'-P energy: -93.148 tors. eta vs tors. theta energy: -180.704 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: 9 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1983.190539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.190539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.190539 (E_RNA) where: Base-Base interactions energy: -1333.927 where: short stacking energy: -587.597 Base-Backbone interact. energy: -6.769 local terms energy: -642.494301 where: bonds (distance) C4'-P energy: -112.274 bonds (distance) P-C4' energy: -121.846 flat angles C4'-P-C4' energy: -146.560 flat angles P-C4'-P energy: -94.922 tors. eta vs tors. theta energy: -166.891 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: 3, replica: 1 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1931.145927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.145927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.145927 (E_RNA) where: Base-Base interactions energy: -1291.944 where: short stacking energy: -528.617 Base-Backbone interact. energy: -2.262 local terms energy: -636.939905 where: bonds (distance) C4'-P energy: -129.831 bonds (distance) P-C4' energy: -131.897 flat angles C4'-P-C4' energy: -128.241 flat angles P-C4'-P energy: -95.923 tors. eta vs tors. theta energy: -151.049 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: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1824.922325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.922325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.922325 (E_RNA) where: Base-Base interactions energy: -1257.943 where: short stacking energy: -521.547 Base-Backbone interact. energy: -3.600 local terms energy: -563.379498 where: bonds (distance) C4'-P energy: -107.788 bonds (distance) P-C4' energy: -117.839 flat angles C4'-P-C4' energy: -122.501 flat angles P-C4'-P energy: -76.958 tors. eta vs tors. theta energy: -138.294 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: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1597.105314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.105314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.105314 (E_RNA) where: Base-Base interactions energy: -1056.475 where: short stacking energy: -454.331 Base-Backbone interact. energy: -2.484 local terms energy: -538.145667 where: bonds (distance) C4'-P energy: -109.370 bonds (distance) P-C4' energy: -110.731 flat angles C4'-P-C4' energy: -119.439 flat angles P-C4'-P energy: -85.879 tors. eta vs tors. theta energy: -112.726 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: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1519.848602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.848602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.848602 (E_RNA) where: Base-Base interactions energy: -964.601 where: short stacking energy: -453.276 Base-Backbone interact. energy: 3.597 local terms energy: -558.845233 where: bonds (distance) C4'-P energy: -106.654 bonds (distance) P-C4' energy: -114.894 flat angles C4'-P-C4' energy: -129.806 flat angles P-C4'-P energy: -77.087 tors. eta vs tors. theta energy: -130.404 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: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1166.843279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.843279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.843279 (E_RNA) where: Base-Base interactions energy: -680.055 where: short stacking energy: -332.252 Base-Backbone interact. energy: -3.631 local terms energy: -483.157000 where: bonds (distance) C4'-P energy: -108.615 bonds (distance) P-C4' energy: -110.580 flat angles C4'-P-C4' energy: -124.771 flat angles P-C4'-P energy: -79.339 tors. eta vs tors. theta energy: -59.852 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: 8 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1029.355534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.355534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.355534 (E_RNA) where: Base-Base interactions energy: -608.378 where: short stacking energy: -286.789 Base-Backbone interact. energy: 3.197 local terms energy: -424.174882 where: bonds (distance) C4'-P energy: -91.680 bonds (distance) P-C4' energy: -123.354 flat angles C4'-P-C4' energy: -116.922 flat angles P-C4'-P energy: -57.387 tors. eta vs tors. theta energy: -34.832 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: 9, replica: 2 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -871.993742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.993742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.993742 (E_RNA) where: Base-Base interactions energy: -489.708 where: short stacking energy: -258.576 Base-Backbone interact. energy: -3.195 local terms energy: -379.090868 where: bonds (distance) C4'-P energy: -115.700 bonds (distance) P-C4' energy: -76.910 flat angles C4'-P-C4' energy: -105.799 flat angles P-C4'-P energy: -62.579 tors. eta vs tors. theta energy: -18.103 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: 3 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -677.665142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.665142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.665142 (E_RNA) where: Base-Base interactions energy: -360.572 where: short stacking energy: -202.582 Base-Backbone interact. energy: -3.531 local terms energy: -313.561841 where: bonds (distance) C4'-P energy: -90.140 bonds (distance) P-C4' energy: -106.613 flat angles C4'-P-C4' energy: -82.773 flat angles P-C4'-P energy: -48.142 tors. eta vs tors. theta energy: 14.107 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: 89 Temperature: 0.900000 Total energy: -2128.712950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.712950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.712950 (E_RNA) where: Base-Base interactions energy: -1460.790 where: short stacking energy: -617.119 Base-Backbone interact. energy: -6.423 local terms energy: -661.499746 where: bonds (distance) C4'-P energy: -125.170 bonds (distance) P-C4' energy: -116.696 flat angles C4'-P-C4' energy: -144.295 flat angles P-C4'-P energy: -97.206 tors. eta vs tors. theta energy: -178.132 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: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1989.493765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.493765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.493765 (E_RNA) where: Base-Base interactions energy: -1339.615 where: short stacking energy: -603.855 Base-Backbone interact. energy: -0.215 local terms energy: -649.663978 where: bonds (distance) C4'-P energy: -128.511 bonds (distance) P-C4' energy: -126.316 flat angles C4'-P-C4' energy: -140.219 flat angles P-C4'-P energy: -83.095 tors. eta vs tors. theta energy: -171.523 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: 3, replica: 1 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1957.172241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.172241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.172241 (E_RNA) where: Base-Base interactions energy: -1348.183 where: short stacking energy: -580.632 Base-Backbone interact. energy: -3.996 local terms energy: -604.993815 where: bonds (distance) C4'-P energy: -110.240 bonds (distance) P-C4' energy: -114.696 flat angles C4'-P-C4' energy: -139.882 flat angles P-C4'-P energy: -79.647 tors. eta vs tors. theta energy: -160.529 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: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1812.302920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.302920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.302920 (E_RNA) where: Base-Base interactions energy: -1238.537 where: short stacking energy: -534.063 Base-Backbone interact. energy: 2.995 local terms energy: -576.760926 where: bonds (distance) C4'-P energy: -110.009 bonds (distance) P-C4' energy: -101.764 flat angles C4'-P-C4' energy: -138.270 flat angles P-C4'-P energy: -79.014 tors. eta vs tors. theta energy: -147.704 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: 5, replica: 7 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1568.348609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.348609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.348609 (E_RNA) where: Base-Base interactions energy: -1057.510 where: short stacking energy: -456.695 Base-Backbone interact. energy: -0.945 local terms energy: -509.893792 where: bonds (distance) C4'-P energy: -100.433 bonds (distance) P-C4' energy: -110.324 flat angles C4'-P-C4' energy: -119.127 flat angles P-C4'-P energy: -78.736 tors. eta vs tors. theta energy: -101.275 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: 6, replica: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1519.228897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.228897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.228897 (E_RNA) where: Base-Base interactions energy: -1030.837 where: short stacking energy: -443.541 Base-Backbone interact. energy: -1.184 local terms energy: -487.208083 where: bonds (distance) C4'-P energy: -94.179 bonds (distance) P-C4' energy: -98.832 flat angles C4'-P-C4' energy: -126.547 flat angles P-C4'-P energy: -62.806 tors. eta vs tors. theta energy: -104.845 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: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1108.300079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.300079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.300079 (E_RNA) where: Base-Base interactions energy: -690.085 where: short stacking energy: -333.803 Base-Backbone interact. energy: 2.036 local terms energy: -420.251080 where: bonds (distance) C4'-P energy: -99.350 bonds (distance) P-C4' energy: -104.216 flat angles C4'-P-C4' energy: -106.975 flat angles P-C4'-P energy: -65.164 tors. eta vs tors. theta energy: -44.545 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: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1023.042666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.042666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.042666 (E_RNA) where: Base-Base interactions energy: -587.002 where: short stacking energy: -282.055 Base-Backbone interact. energy: -2.495 local terms energy: -433.545733 where: bonds (distance) C4'-P energy: -111.792 bonds (distance) P-C4' energy: -102.474 flat angles C4'-P-C4' energy: -101.952 flat angles P-C4'-P energy: -71.502 tors. eta vs tors. theta energy: -45.826 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: 9, replica: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -792.439977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.439977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.439977 (E_RNA) where: Base-Base interactions energy: -444.918 where: short stacking energy: -236.595 Base-Backbone interact. energy: 0.499 local terms energy: -348.020058 where: bonds (distance) C4'-P energy: -82.107 bonds (distance) P-C4' energy: -105.697 flat angles C4'-P-C4' energy: -90.596 flat angles P-C4'-P energy: -52.397 tors. eta vs tors. theta energy: -17.223 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: 3 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -636.740183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.740183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.740183 (E_RNA) where: Base-Base interactions energy: -329.157 where: short stacking energy: -196.974 Base-Backbone interact. energy: -0.689 local terms energy: -306.894798 where: bonds (distance) C4'-P energy: -85.058 bonds (distance) P-C4' energy: -96.426 flat angles C4'-P-C4' energy: -81.947 flat angles P-C4'-P energy: -49.113 tors. eta vs tors. theta energy: 5.649 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: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2088.819162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.819162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.819162 (E_RNA) where: Base-Base interactions energy: -1441.473 where: short stacking energy: -598.240 Base-Backbone interact. energy: -0.261 local terms energy: -647.085676 where: bonds (distance) C4'-P energy: -128.080 bonds (distance) P-C4' energy: -123.581 flat angles C4'-P-C4' energy: -134.154 flat angles P-C4'-P energy: -88.960 tors. eta vs tors. theta energy: -172.311 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: 2, replica: 9 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2004.339468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.339468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.339468 (E_RNA) where: Base-Base interactions energy: -1351.259 where: short stacking energy: -602.309 Base-Backbone interact. energy: 0.003 local terms energy: -653.083837 where: bonds (distance) C4'-P energy: -119.159 bonds (distance) P-C4' energy: -118.408 flat angles C4'-P-C4' energy: -141.598 flat angles P-C4'-P energy: -92.363 tors. eta vs tors. theta energy: -181.557 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: 3, replica: 1 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1939.191336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.191336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.191336 (E_RNA) where: Base-Base interactions energy: -1313.909 where: short stacking energy: -559.402 Base-Backbone interact. energy: -2.425 local terms energy: -622.857125 where: bonds (distance) C4'-P energy: -116.776 bonds (distance) P-C4' energy: -125.299 flat angles C4'-P-C4' energy: -135.397 flat angles P-C4'-P energy: -90.061 tors. eta vs tors. theta energy: -155.324 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: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1857.399715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.399715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.399715 (E_RNA) where: Base-Base interactions energy: -1279.875 where: short stacking energy: -570.054 Base-Backbone interact. energy: -4.507 local terms energy: -573.017699 where: bonds (distance) C4'-P energy: -109.113 bonds (distance) P-C4' energy: -114.374 flat angles C4'-P-C4' energy: -126.939 flat angles P-C4'-P energy: -68.850 tors. eta vs tors. theta energy: -153.742 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: 5, replica: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1592.316376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.316376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.316376 (E_RNA) where: Base-Base interactions energy: -1032.879 where: short stacking energy: -451.233 Base-Backbone interact. energy: -2.001 local terms energy: -557.436921 where: bonds (distance) C4'-P energy: -121.482 bonds (distance) P-C4' energy: -125.854 flat angles C4'-P-C4' energy: -108.553 flat angles P-C4'-P energy: -82.007 tors. eta vs tors. theta energy: -119.541 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: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1450.745507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.745507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.745507 (E_RNA) where: Base-Base interactions energy: -953.564 where: short stacking energy: -399.576 Base-Backbone interact. energy: 5.899 local terms energy: -503.080810 where: bonds (distance) C4'-P energy: -108.432 bonds (distance) P-C4' energy: -101.973 flat angles C4'-P-C4' energy: -122.455 flat angles P-C4'-P energy: -70.842 tors. eta vs tors. theta energy: -99.378 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: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1130.145059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.145059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.145059 (E_RNA) where: Base-Base interactions energy: -684.132 where: short stacking energy: -345.041 Base-Backbone interact. energy: 0.076 local terms energy: -446.089076 where: bonds (distance) C4'-P energy: -90.506 bonds (distance) P-C4' energy: -116.806 flat angles C4'-P-C4' energy: -113.740 flat angles P-C4'-P energy: -61.473 tors. eta vs tors. theta energy: -63.564 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: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1059.365504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.365504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.365504 (E_RNA) where: Base-Base interactions energy: -625.777 where: short stacking energy: -300.512 Base-Backbone interact. energy: 5.789 local terms energy: -439.376992 where: bonds (distance) C4'-P energy: -110.578 bonds (distance) P-C4' energy: -110.942 flat angles C4'-P-C4' energy: -97.757 flat angles P-C4'-P energy: -67.517 tors. eta vs tors. theta energy: -52.583 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: 9, replica: 2 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -836.546527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.546527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.546527 (E_RNA) where: Base-Base interactions energy: -449.944 where: short stacking energy: -234.389 Base-Backbone interact. energy: 1.157 local terms energy: -387.759701 where: bonds (distance) C4'-P energy: -114.117 bonds (distance) P-C4' energy: -94.499 flat angles C4'-P-C4' energy: -71.378 flat angles P-C4'-P energy: -79.506 tors. eta vs tors. theta energy: -28.258 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: 3 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -589.308476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.308476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.308476 (E_RNA) where: Base-Base interactions energy: -263.554 where: short stacking energy: -168.770 Base-Backbone interact. energy: -2.729 local terms energy: -323.024825 where: bonds (distance) C4'-P energy: -99.284 bonds (distance) P-C4' energy: -86.906 flat angles C4'-P-C4' energy: -91.473 flat angles P-C4'-P energy: -52.995 tors. eta vs tors. theta energy: 7.633 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: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2081.958928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.958928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.958928 (E_RNA) where: Base-Base interactions energy: -1404.972 where: short stacking energy: -626.605 Base-Backbone interact. energy: -4.181 local terms energy: -672.805903 where: bonds (distance) C4'-P energy: -115.927 bonds (distance) P-C4' energy: -130.510 flat angles C4'-P-C4' energy: -141.115 flat angles P-C4'-P energy: -106.794 tors. eta vs tors. theta energy: -178.459 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: 2, replica: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2006.152881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.152881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.152881 (E_RNA) where: Base-Base interactions energy: -1360.935 where: short stacking energy: -595.862 Base-Backbone interact. energy: -3.275 local terms energy: -641.942122 where: bonds (distance) C4'-P energy: -128.711 bonds (distance) P-C4' energy: -118.172 flat angles C4'-P-C4' energy: -127.106 flat angles P-C4'-P energy: -97.878 tors. eta vs tors. theta energy: -170.075 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: 3, replica: 1 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1992.511494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.511494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.511494 (E_RNA) where: Base-Base interactions energy: -1381.673 where: short stacking energy: -580.718 Base-Backbone interact. energy: -2.883 local terms energy: -607.955158 where: bonds (distance) C4'-P energy: -118.865 bonds (distance) P-C4' energy: -116.199 flat angles C4'-P-C4' energy: -131.746 flat angles P-C4'-P energy: -74.509 tors. eta vs tors. theta energy: -166.636 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: 4, replica: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1830.695312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.695312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.695312 (E_RNA) where: Base-Base interactions energy: -1248.605 where: short stacking energy: -534.982 Base-Backbone interact. energy: -4.080 local terms energy: -578.010588 where: bonds (distance) C4'-P energy: -114.735 bonds (distance) P-C4' energy: -116.125 flat angles C4'-P-C4' energy: -124.367 flat angles P-C4'-P energy: -82.281 tors. eta vs tors. theta energy: -140.501 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: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1611.586520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.586520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.586520 (E_RNA) where: Base-Base interactions energy: -1059.543 where: short stacking energy: -493.198 Base-Backbone interact. energy: -2.651 local terms energy: -549.392344 where: bonds (distance) C4'-P energy: -117.378 bonds (distance) P-C4' energy: -103.000 flat angles C4'-P-C4' energy: -113.024 flat angles P-C4'-P energy: -83.304 tors. eta vs tors. theta energy: -132.686 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: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1382.871637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.871637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.871637 (E_RNA) where: Base-Base interactions energy: -896.212 where: short stacking energy: -388.971 Base-Backbone interact. energy: 6.899 local terms energy: -493.558422 where: bonds (distance) C4'-P energy: -112.979 bonds (distance) P-C4' energy: -110.286 flat angles C4'-P-C4' energy: -108.450 flat angles P-C4'-P energy: -73.865 tors. eta vs tors. theta energy: -87.978 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: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1088.997906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.997906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.997906 (E_RNA) where: Base-Base interactions energy: -667.775 where: short stacking energy: -309.020 Base-Backbone interact. energy: 5.287 local terms energy: -426.510095 where: bonds (distance) C4'-P energy: -106.451 bonds (distance) P-C4' energy: -110.972 flat angles C4'-P-C4' energy: -95.692 flat angles P-C4'-P energy: -62.668 tors. eta vs tors. theta energy: -50.727 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: 8, replica: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1000.094454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.094454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.094454 (E_RNA) where: Base-Base interactions energy: -576.142 where: short stacking energy: -278.894 Base-Backbone interact. energy: 3.305 local terms energy: -427.257730 where: bonds (distance) C4'-P energy: -104.025 bonds (distance) P-C4' energy: -99.578 flat angles C4'-P-C4' energy: -113.467 flat angles P-C4'-P energy: -68.308 tors. eta vs tors. theta energy: -41.880 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: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -982.289767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.289767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.289767 (E_RNA) where: Base-Base interactions energy: -557.518 where: short stacking energy: -258.709 Base-Backbone interact. energy: 1.128 local terms energy: -425.899669 where: bonds (distance) C4'-P energy: -122.934 bonds (distance) P-C4' energy: -113.243 flat angles C4'-P-C4' energy: -90.099 flat angles P-C4'-P energy: -65.270 tors. eta vs tors. theta energy: -34.355 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: 10, replica: 3 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -634.059853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.059853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.059853 (E_RNA) where: Base-Base interactions energy: -294.904 where: short stacking energy: -181.902 Base-Backbone interact. energy: 0.175 local terms energy: -339.330523 where: bonds (distance) C4'-P energy: -96.008 bonds (distance) P-C4' energy: -114.145 flat angles C4'-P-C4' energy: -85.919 flat angles P-C4'-P energy: -48.984 tors. eta vs tors. theta energy: 5.726 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: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2058.543683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.543683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.543683 (E_RNA) where: Base-Base interactions energy: -1387.928 where: short stacking energy: -599.293 Base-Backbone interact. energy: -4.407 local terms energy: -666.209081 where: bonds (distance) C4'-P energy: -122.836 bonds (distance) P-C4' energy: -133.978 flat angles C4'-P-C4' energy: -143.596 flat angles P-C4'-P energy: -89.658 tors. eta vs tors. theta energy: -176.140 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: 2, replica: 5 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2025.590843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.590843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.590843 (E_RNA) where: Base-Base interactions energy: -1390.165 where: short stacking energy: -587.201 Base-Backbone interact. energy: -1.047 local terms energy: -634.378399 where: bonds (distance) C4'-P energy: -112.886 bonds (distance) P-C4' energy: -117.620 flat angles C4'-P-C4' energy: -140.562 flat angles P-C4'-P energy: -89.003 tors. eta vs tors. theta energy: -174.306 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: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1955.420657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.420657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.420657 (E_RNA) where: Base-Base interactions energy: -1345.197 where: short stacking energy: -549.948 Base-Backbone interact. energy: -2.591 local terms energy: -607.632246 where: bonds (distance) C4'-P energy: -104.926 bonds (distance) P-C4' energy: -122.578 flat angles C4'-P-C4' energy: -139.324 flat angles P-C4'-P energy: -84.426 tors. eta vs tors. theta energy: -156.377 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: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1857.064026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.064026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.064026 (E_RNA) where: Base-Base interactions energy: -1280.416 where: short stacking energy: -540.189 Base-Backbone interact. energy: -3.996 local terms energy: -572.651796 where: bonds (distance) C4'-P energy: -99.784 bonds (distance) P-C4' energy: -120.142 flat angles C4'-P-C4' energy: -125.131 flat angles P-C4'-P energy: -79.546 tors. eta vs tors. theta energy: -148.048 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: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1591.520127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.520127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.520127 (E_RNA) where: Base-Base interactions energy: -1033.298 where: short stacking energy: -466.431 Base-Backbone interact. energy: -3.873 local terms energy: -554.349135 where: bonds (distance) C4'-P energy: -103.617 bonds (distance) P-C4' energy: -108.311 flat angles C4'-P-C4' energy: -130.596 flat angles P-C4'-P energy: -77.456 tors. eta vs tors. theta energy: -134.369 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: 6, replica: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1419.260884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.260884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.260884 (E_RNA) where: Base-Base interactions energy: -927.750 where: short stacking energy: -417.904 Base-Backbone interact. energy: 1.855 local terms energy: -493.366179 where: bonds (distance) C4'-P energy: -103.545 bonds (distance) P-C4' energy: -112.744 flat angles C4'-P-C4' energy: -107.084 flat angles P-C4'-P energy: -70.390 tors. eta vs tors. theta energy: -99.604 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: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1099.622845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.622845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.622845 (E_RNA) where: Base-Base interactions energy: -665.460 where: short stacking energy: -320.754 Base-Backbone interact. energy: -2.631 local terms energy: -431.532600 where: bonds (distance) C4'-P energy: -91.052 bonds (distance) P-C4' energy: -111.315 flat angles C4'-P-C4' energy: -111.900 flat angles P-C4'-P energy: -62.202 tors. eta vs tors. theta energy: -55.063 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: 8, replica: 8 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -991.570149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.570149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.570149 (E_RNA) where: Base-Base interactions energy: -584.601 where: short stacking energy: -274.626 Base-Backbone interact. energy: -1.182 local terms energy: -405.787774 where: bonds (distance) C4'-P energy: -109.710 bonds (distance) P-C4' energy: -91.635 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -29.471 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: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1010.569817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.569817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.569817 (E_RNA) where: Base-Base interactions energy: -617.276 where: short stacking energy: -295.996 Base-Backbone interact. energy: -3.776 local terms energy: -389.517754 where: bonds (distance) C4'-P energy: -88.342 bonds (distance) P-C4' energy: -97.719 flat angles C4'-P-C4' energy: -111.499 flat angles P-C4'-P energy: -48.783 tors. eta vs tors. theta energy: -43.175 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: 10, replica: 3 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -632.771552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.771552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.771552 (E_RNA) where: Base-Base interactions energy: -325.895 where: short stacking energy: -179.671 Base-Backbone interact. energy: -1.828 local terms energy: -305.047982 where: bonds (distance) C4'-P energy: -91.182 bonds (distance) P-C4' energy: -91.325 flat angles C4'-P-C4' energy: -88.032 flat angles P-C4'-P energy: -56.651 tors. eta vs tors. theta energy: 22.142 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: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2063.524846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.524846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.524846 (E_RNA) where: Base-Base interactions energy: -1402.870 where: short stacking energy: -612.940 Base-Backbone interact. energy: -2.164 local terms energy: -658.491255 where: bonds (distance) C4'-P energy: -124.447 bonds (distance) P-C4' energy: -127.706 flat angles C4'-P-C4' energy: -138.980 flat angles P-C4'-P energy: -88.068 tors. eta vs tors. theta energy: -179.290 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: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2039.051741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.051741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.051741 (E_RNA) where: Base-Base interactions energy: -1412.675 where: short stacking energy: -573.572 Base-Backbone interact. energy: -2.289 local terms energy: -624.087627 where: bonds (distance) C4'-P energy: -125.686 bonds (distance) P-C4' energy: -108.476 flat angles C4'-P-C4' energy: -133.880 flat angles P-C4'-P energy: -83.115 tors. eta vs tors. theta energy: -172.931 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: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1989.901509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.901509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.901509 (E_RNA) where: Base-Base interactions energy: -1371.514 where: short stacking energy: -552.804 Base-Backbone interact. energy: -5.025 local terms energy: -613.363143 where: bonds (distance) C4'-P energy: -118.199 bonds (distance) P-C4' energy: -118.651 flat angles C4'-P-C4' energy: -130.165 flat angles P-C4'-P energy: -78.730 tors. eta vs tors. theta energy: -167.619 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: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1852.741157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.741157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.741157 (E_RNA) where: Base-Base interactions energy: -1272.686 where: short stacking energy: -533.885 Base-Backbone interact. energy: -1.681 local terms energy: -578.373935 where: bonds (distance) C4'-P energy: -115.437 bonds (distance) P-C4' energy: -120.961 flat angles C4'-P-C4' energy: -130.123 flat angles P-C4'-P energy: -80.147 tors. eta vs tors. theta energy: -131.706 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: 5, replica: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1533.376159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.376159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.376159 (E_RNA) where: Base-Base interactions energy: -999.964 where: short stacking energy: -436.036 Base-Backbone interact. energy: -3.690 local terms energy: -529.721752 where: bonds (distance) C4'-P energy: -113.669 bonds (distance) P-C4' energy: -106.058 flat angles C4'-P-C4' energy: -108.040 flat angles P-C4'-P energy: -92.522 tors. eta vs tors. theta energy: -109.433 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: 93 Temperature: 1.150000 Total energy: -1466.997739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.997739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.997739 (E_RNA) where: Base-Base interactions energy: -933.033 where: short stacking energy: -444.573 Base-Backbone interact. energy: 3.425 local terms energy: -537.389364 where: bonds (distance) C4'-P energy: -118.977 bonds (distance) P-C4' energy: -109.294 flat angles C4'-P-C4' energy: -123.475 flat angles P-C4'-P energy: -76.422 tors. eta vs tors. theta energy: -109.222 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: 7, replica: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1115.268120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.268120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.268120 (E_RNA) where: Base-Base interactions energy: -654.952 where: short stacking energy: -324.284 Base-Backbone interact. energy: -2.957 local terms energy: -457.358983 where: bonds (distance) C4'-P energy: -101.561 bonds (distance) P-C4' energy: -126.759 flat angles C4'-P-C4' energy: -105.539 flat angles P-C4'-P energy: -62.131 tors. eta vs tors. theta energy: -61.368 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: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1010.637465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.637465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.637465 (E_RNA) where: Base-Base interactions energy: -570.695 where: short stacking energy: -267.222 Base-Backbone interact. energy: -0.075 local terms energy: -439.866954 where: bonds (distance) C4'-P energy: -113.562 bonds (distance) P-C4' energy: -107.757 flat angles C4'-P-C4' energy: -102.022 flat angles P-C4'-P energy: -75.366 tors. eta vs tors. theta energy: -41.160 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: 9, replica: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1064.469985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.469985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.469985 (E_RNA) where: Base-Base interactions energy: -648.598 where: short stacking energy: -322.478 Base-Backbone interact. energy: -1.805 local terms energy: -414.067578 where: bonds (distance) C4'-P energy: -95.957 bonds (distance) P-C4' energy: -92.474 flat angles C4'-P-C4' energy: -101.585 flat angles P-C4'-P energy: -63.631 tors. eta vs tors. theta energy: -60.421 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: 10, replica: 3 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -667.629841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.629841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.629841 (E_RNA) where: Base-Base interactions energy: -301.159 where: short stacking energy: -150.975 Base-Backbone interact. energy: -3.960 local terms energy: -362.510685 where: bonds (distance) C4'-P energy: -117.345 bonds (distance) P-C4' energy: -94.271 flat angles C4'-P-C4' energy: -88.490 flat angles P-C4'-P energy: -67.068 tors. eta vs tors. theta energy: 4.663 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: 1, replica: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2055.628891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.628891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.628891 (E_RNA) where: Base-Base interactions energy: -1382.648 where: short stacking energy: -618.654 Base-Backbone interact. energy: -1.148 local terms energy: -671.832283 where: bonds (distance) C4'-P energy: -115.183 bonds (distance) P-C4' energy: -144.209 flat angles C4'-P-C4' energy: -135.954 flat angles P-C4'-P energy: -91.151 tors. eta vs tors. theta energy: -185.335 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: 2, replica: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2019.720488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.720488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.720488 (E_RNA) where: Base-Base interactions energy: -1406.149 where: short stacking energy: -592.134 Base-Backbone interact. energy: -1.006 local terms energy: -612.565538 where: bonds (distance) C4'-P energy: -112.575 bonds (distance) P-C4' energy: -117.988 flat angles C4'-P-C4' energy: -130.550 flat angles P-C4'-P energy: -78.907 tors. eta vs tors. theta energy: -172.545 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: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2010.961630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.961630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.961630 (E_RNA) where: Base-Base interactions energy: -1374.281 where: short stacking energy: -592.764 Base-Backbone interact. energy: 3.527 local terms energy: -640.207769 where: bonds (distance) C4'-P energy: -112.786 bonds (distance) P-C4' energy: -136.296 flat angles C4'-P-C4' energy: -133.095 flat angles P-C4'-P energy: -90.644 tors. eta vs tors. theta energy: -167.387 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: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1801.050223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.050223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.050223 (E_RNA) where: Base-Base interactions energy: -1221.406 where: short stacking energy: -498.670 Base-Backbone interact. energy: 2.662 local terms energy: -582.305639 where: bonds (distance) C4'-P energy: -107.506 bonds (distance) P-C4' energy: -111.819 flat angles C4'-P-C4' energy: -137.582 flat angles P-C4'-P energy: -86.418 tors. eta vs tors. theta energy: -138.981 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: 5, replica: 10 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1589.606412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.606412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.606412 (E_RNA) where: Base-Base interactions energy: -1020.087 where: short stacking energy: -491.004 Base-Backbone interact. energy: -4.277 local terms energy: -565.242736 where: bonds (distance) C4'-P energy: -116.823 bonds (distance) P-C4' energy: -109.997 flat angles C4'-P-C4' energy: -139.246 flat angles P-C4'-P energy: -61.743 tors. eta vs tors. theta energy: -137.433 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: 94 Temperature: 1.150000 Total energy: -1462.822488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.822488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.822488 (E_RNA) where: Base-Base interactions energy: -936.196 where: short stacking energy: -407.198 Base-Backbone interact. energy: 0.830 local terms energy: -527.456519 where: bonds (distance) C4'-P energy: -116.721 bonds (distance) P-C4' energy: -97.679 flat angles C4'-P-C4' energy: -126.697 flat angles P-C4'-P energy: -75.930 tors. eta vs tors. theta energy: -110.430 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: 7, replica: 8 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1121.406981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.406981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.406981 (E_RNA) where: Base-Base interactions energy: -685.901 where: short stacking energy: -334.153 Base-Backbone interact. energy: -2.137 local terms energy: -433.368882 where: bonds (distance) C4'-P energy: -89.322 bonds (distance) P-C4' energy: -110.412 flat angles C4'-P-C4' energy: -116.864 flat angles P-C4'-P energy: -60.369 tors. eta vs tors. theta energy: -56.401 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: 8, replica: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -986.914372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.914372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.914372 (E_RNA) where: Base-Base interactions energy: -586.638 where: short stacking energy: -258.643 Base-Backbone interact. energy: -3.662 local terms energy: -396.615022 where: bonds (distance) C4'-P energy: -108.098 bonds (distance) P-C4' energy: -100.623 flat angles C4'-P-C4' energy: -116.402 flat angles P-C4'-P energy: -48.377 tors. eta vs tors. theta energy: -23.115 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: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -972.401659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.401659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.401659 (E_RNA) where: Base-Base interactions energy: -565.451 where: short stacking energy: -268.820 Base-Backbone interact. energy: -4.281 local terms energy: -402.669409 where: bonds (distance) C4'-P energy: -107.572 bonds (distance) P-C4' energy: -114.352 flat angles C4'-P-C4' energy: -96.240 flat angles P-C4'-P energy: -66.831 tors. eta vs tors. theta energy: -17.676 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: 10, replica: 3 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -680.415565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.415565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.415565 (E_RNA) where: Base-Base interactions energy: -350.285 where: short stacking energy: -205.315 Base-Backbone interact. energy: -0.098 local terms energy: -330.031966 where: bonds (distance) C4'-P energy: -83.102 bonds (distance) P-C4' energy: -101.507 flat angles C4'-P-C4' energy: -78.684 flat angles P-C4'-P energy: -56.156 tors. eta vs tors. theta energy: -10.582 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: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2035.909831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.909831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.909831 (E_RNA) where: Base-Base interactions energy: -1392.502 where: short stacking energy: -608.390 Base-Backbone interact. energy: -2.520 local terms energy: -640.887922 where: bonds (distance) C4'-P energy: -127.099 bonds (distance) P-C4' energy: -116.783 flat angles C4'-P-C4' energy: -140.808 flat angles P-C4'-P energy: -84.958 tors. eta vs tors. theta energy: -171.240 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: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2089.570999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.570999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.570999 (E_RNA) where: Base-Base interactions energy: -1442.450 where: short stacking energy: -601.972 Base-Backbone interact. energy: -5.419 local terms energy: -641.701971 where: bonds (distance) C4'-P energy: -125.889 bonds (distance) P-C4' energy: -123.480 flat angles C4'-P-C4' energy: -129.060 flat angles P-C4'-P energy: -92.172 tors. eta vs tors. theta energy: -171.101 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: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1964.760262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.760262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.760262 (E_RNA) where: Base-Base interactions energy: -1345.781 where: short stacking energy: -568.452 Base-Backbone interact. energy: -0.151 local terms energy: -618.827516 where: bonds (distance) C4'-P energy: -125.286 bonds (distance) P-C4' energy: -117.060 flat angles C4'-P-C4' energy: -128.138 flat angles P-C4'-P energy: -85.974 tors. eta vs tors. theta energy: -162.370 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: 4, replica: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1786.470185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.470185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.470185 (E_RNA) where: Base-Base interactions energy: -1201.112 where: short stacking energy: -502.651 Base-Backbone interact. energy: 0.560 local terms energy: -585.918695 where: bonds (distance) C4'-P energy: -126.563 bonds (distance) P-C4' energy: -119.938 flat angles C4'-P-C4' energy: -125.306 flat angles P-C4'-P energy: -84.439 tors. eta vs tors. theta energy: -129.672 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: 5, replica: 10 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1551.306409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.306409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.306409 (E_RNA) where: Base-Base interactions energy: -1022.108 where: short stacking energy: -468.132 Base-Backbone interact. energy: -0.459 local terms energy: -528.739473 where: bonds (distance) C4'-P energy: -109.930 bonds (distance) P-C4' energy: -113.092 flat angles C4'-P-C4' energy: -115.101 flat angles P-C4'-P energy: -83.362 tors. eta vs tors. theta energy: -107.255 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: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1373.796769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.796769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.796769 (E_RNA) where: Base-Base interactions energy: -868.638 where: short stacking energy: -383.934 Base-Backbone interact. energy: -2.028 local terms energy: -503.131000 where: bonds (distance) C4'-P energy: -99.653 bonds (distance) P-C4' energy: -109.307 flat angles C4'-P-C4' energy: -101.782 flat angles P-C4'-P energy: -76.312 tors. eta vs tors. theta energy: -116.077 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: 8 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1145.995634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.995634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.995634 (E_RNA) where: Base-Base interactions energy: -683.873 where: short stacking energy: -336.262 Base-Backbone interact. energy: -0.841 local terms energy: -461.282169 where: bonds (distance) C4'-P energy: -101.774 bonds (distance) P-C4' energy: -129.824 flat angles C4'-P-C4' energy: -106.265 flat angles P-C4'-P energy: -66.675 tors. eta vs tors. theta energy: -56.744 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: 8, replica: 6 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -982.554971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.554971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.554971 (E_RNA) where: Base-Base interactions energy: -568.469 where: short stacking energy: -271.816 Base-Backbone interact. energy: 2.210 local terms energy: -416.296040 where: bonds (distance) C4'-P energy: -102.641 bonds (distance) P-C4' energy: -108.435 flat angles C4'-P-C4' energy: -108.962 flat angles P-C4'-P energy: -62.882 tors. eta vs tors. theta energy: -33.375 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: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -982.164001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.164001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.164001 (E_RNA) where: Base-Base interactions energy: -587.710 where: short stacking energy: -281.354 Base-Backbone interact. energy: 7.141 local terms energy: -401.594535 where: bonds (distance) C4'-P energy: -97.182 bonds (distance) P-C4' energy: -102.291 flat angles C4'-P-C4' energy: -84.628 flat angles P-C4'-P energy: -74.818 tors. eta vs tors. theta energy: -42.675 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: 3 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -672.335827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.335827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.335827 (E_RNA) where: Base-Base interactions energy: -324.770 where: short stacking energy: -193.058 Base-Backbone interact. energy: 2.170 local terms energy: -349.736370 where: bonds (distance) C4'-P energy: -87.893 bonds (distance) P-C4' energy: -99.084 flat angles C4'-P-C4' energy: -108.528 flat angles P-C4'-P energy: -59.206 tors. eta vs tors. theta energy: 4.975 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: 1, replica: 9 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2033.294720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.294720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.294720 (E_RNA) where: Base-Base interactions energy: -1387.713 where: short stacking energy: -604.582 Base-Backbone interact. energy: 1.094 local terms energy: -646.676159 where: bonds (distance) C4'-P energy: -117.818 bonds (distance) P-C4' energy: -124.201 flat angles C4'-P-C4' energy: -136.865 flat angles P-C4'-P energy: -89.363 tors. eta vs tors. theta energy: -178.430 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: 1 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2069.027372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.027372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.027372 (E_RNA) where: Base-Base interactions energy: -1438.063 where: short stacking energy: -592.867 Base-Backbone interact. energy: -3.157 local terms energy: -627.807003 where: bonds (distance) C4'-P energy: -105.840 bonds (distance) P-C4' energy: -127.587 flat angles C4'-P-C4' energy: -130.747 flat angles P-C4'-P energy: -96.645 tors. eta vs tors. theta energy: -166.989 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: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1986.849525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.849525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.849525 (E_RNA) where: Base-Base interactions energy: -1360.865 where: short stacking energy: -562.087 Base-Backbone interact. energy: -4.129 local terms energy: -621.855514 where: bonds (distance) C4'-P energy: -116.268 bonds (distance) P-C4' energy: -114.270 flat angles C4'-P-C4' energy: -142.826 flat angles P-C4'-P energy: -85.493 tors. eta vs tors. theta energy: -162.999 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: 4, replica: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1760.893933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.893933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.893933 (E_RNA) where: Base-Base interactions energy: -1207.947 where: short stacking energy: -498.830 Base-Backbone interact. energy: -0.253 local terms energy: -552.693976 where: bonds (distance) C4'-P energy: -105.259 bonds (distance) P-C4' energy: -116.371 flat angles C4'-P-C4' energy: -126.241 flat angles P-C4'-P energy: -77.817 tors. eta vs tors. theta energy: -127.006 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: 10 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1575.903248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.903248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.903248 (E_RNA) where: Base-Base interactions energy: -1030.354 where: short stacking energy: -464.333 Base-Backbone interact. energy: -0.716 local terms energy: -544.833452 where: bonds (distance) C4'-P energy: -109.899 bonds (distance) P-C4' energy: -110.443 flat angles C4'-P-C4' energy: -126.480 flat angles P-C4'-P energy: -69.879 tors. eta vs tors. theta energy: -128.132 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: 6, replica: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1376.072620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.072620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.072620 (E_RNA) where: Base-Base interactions energy: -846.190 where: short stacking energy: -399.248 Base-Backbone interact. energy: -2.074 local terms energy: -527.809325 where: bonds (distance) C4'-P energy: -107.990 bonds (distance) P-C4' energy: -122.239 flat angles C4'-P-C4' energy: -118.240 flat angles P-C4'-P energy: -78.262 tors. eta vs tors. theta energy: -101.078 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: 8 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1126.643386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.643386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.643386 (E_RNA) where: Base-Base interactions energy: -698.747 where: short stacking energy: -325.070 Base-Backbone interact. energy: -0.778 local terms energy: -427.117728 where: bonds (distance) C4'-P energy: -104.171 bonds (distance) P-C4' energy: -96.456 flat angles C4'-P-C4' energy: -98.808 flat angles P-C4'-P energy: -59.839 tors. eta vs tors. theta energy: -67.843 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: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1039.862143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.862143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.862143 (E_RNA) where: Base-Base interactions energy: -602.961 where: short stacking energy: -287.820 Base-Backbone interact. energy: -2.076 local terms energy: -434.825582 where: bonds (distance) C4'-P energy: -92.535 bonds (distance) P-C4' energy: -117.059 flat angles C4'-P-C4' energy: -110.959 flat angles P-C4'-P energy: -59.212 tors. eta vs tors. theta energy: -55.060 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: 9, replica: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -945.383114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.383114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.383114 (E_RNA) where: Base-Base interactions energy: -538.853 where: short stacking energy: -241.968 Base-Backbone interact. energy: -1.018 local terms energy: -405.512611 where: bonds (distance) C4'-P energy: -107.805 bonds (distance) P-C4' energy: -122.841 flat angles C4'-P-C4' energy: -90.466 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: -39.832 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: 3 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -686.012838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.012838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.012838 (E_RNA) where: Base-Base interactions energy: -387.473 where: short stacking energy: -187.686 Base-Backbone interact. energy: -0.337 local terms energy: -298.203393 where: bonds (distance) C4'-P energy: -81.921 bonds (distance) P-C4' energy: -111.156 flat angles C4'-P-C4' energy: -70.667 flat angles P-C4'-P energy: -45.176 tors. eta vs tors. theta energy: 10.716 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: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2054.799941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.799941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.799941 (E_RNA) where: Base-Base interactions energy: -1400.265 where: short stacking energy: -597.599 Base-Backbone interact. energy: -1.961 local terms energy: -652.573789 where: bonds (distance) C4'-P energy: -115.846 bonds (distance) P-C4' energy: -127.183 flat angles C4'-P-C4' energy: -149.290 flat angles P-C4'-P energy: -89.170 tors. eta vs tors. theta energy: -171.085 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: 2, replica: 1 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2084.370200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.370200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.370200 (E_RNA) where: Base-Base interactions energy: -1439.479 where: short stacking energy: -602.291 Base-Backbone interact. energy: -2.698 local terms energy: -642.193422 where: bonds (distance) C4'-P energy: -130.377 bonds (distance) P-C4' energy: -117.977 flat angles C4'-P-C4' energy: -136.743 flat angles P-C4'-P energy: -81.587 tors. eta vs tors. theta energy: -175.509 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: 3, replica: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1954.152911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.152911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.152911 (E_RNA) where: Base-Base interactions energy: -1343.297 where: short stacking energy: -564.554 Base-Backbone interact. energy: -4.704 local terms energy: -606.151574 where: bonds (distance) C4'-P energy: -104.110 bonds (distance) P-C4' energy: -126.353 flat angles C4'-P-C4' energy: -137.491 flat angles P-C4'-P energy: -84.705 tors. eta vs tors. theta energy: -153.492 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: 4, replica: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1842.830896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.830896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.830896 (E_RNA) where: Base-Base interactions energy: -1267.594 where: short stacking energy: -543.002 Base-Backbone interact. energy: -2.772 local terms energy: -572.464671 where: bonds (distance) C4'-P energy: -106.392 bonds (distance) P-C4' energy: -112.485 flat angles C4'-P-C4' energy: -131.436 flat angles P-C4'-P energy: -80.485 tors. eta vs tors. theta energy: -141.667 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: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1571.260983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.260983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.260983 (E_RNA) where: Base-Base interactions energy: -1032.396 where: short stacking energy: -481.772 Base-Backbone interact. energy: 4.288 local terms energy: -543.152625 where: bonds (distance) C4'-P energy: -101.273 bonds (distance) P-C4' energy: -112.645 flat angles C4'-P-C4' energy: -127.351 flat angles P-C4'-P energy: -81.769 tors. eta vs tors. theta energy: -120.115 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: 6, replica: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1424.153055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.153055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.153055 (E_RNA) where: Base-Base interactions energy: -932.273 where: short stacking energy: -431.824 Base-Backbone interact. energy: 1.077 local terms energy: -492.956902 where: bonds (distance) C4'-P energy: -109.612 bonds (distance) P-C4' energy: -99.544 flat angles C4'-P-C4' energy: -114.408 flat angles P-C4'-P energy: -71.031 tors. eta vs tors. theta energy: -98.361 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: 7, replica: 8 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1170.425696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.425696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.425696 (E_RNA) where: Base-Base interactions energy: -721.996 where: short stacking energy: -329.734 Base-Backbone interact. energy: 2.549 local terms energy: -450.978337 where: bonds (distance) C4'-P energy: -103.940 bonds (distance) P-C4' energy: -120.173 flat angles C4'-P-C4' energy: -110.423 flat angles P-C4'-P energy: -66.300 tors. eta vs tors. theta energy: -50.143 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: 8, replica: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1018.553154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.553154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.553154 (E_RNA) where: Base-Base interactions energy: -630.981 where: short stacking energy: -312.680 Base-Backbone interact. energy: 2.448 local terms energy: -390.019367 where: bonds (distance) C4'-P energy: -91.317 bonds (distance) P-C4' energy: -102.407 flat angles C4'-P-C4' energy: -102.407 flat angles P-C4'-P energy: -42.640 tors. eta vs tors. theta energy: -51.249 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: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -970.835456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.835456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.835456 (E_RNA) where: Base-Base interactions energy: -586.918 where: short stacking energy: -294.986 Base-Backbone interact. energy: -1.392 local terms energy: -382.525651 where: bonds (distance) C4'-P energy: -102.407 bonds (distance) P-C4' energy: -96.283 flat angles C4'-P-C4' energy: -97.004 flat angles P-C4'-P energy: -58.327 tors. eta vs tors. theta energy: -28.505 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: 10, replica: 3 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -686.790641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.790641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.790641 (E_RNA) where: Base-Base interactions energy: -393.169 where: short stacking energy: -241.412 Base-Backbone interact. energy: -0.869 local terms energy: -292.753250 where: bonds (distance) C4'-P energy: -99.056 bonds (distance) P-C4' energy: -100.811 flat angles C4'-P-C4' energy: -65.441 flat angles P-C4'-P energy: -15.953 tors. eta vs tors. theta energy: -11.493 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: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2074.759468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.759468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.759468 (E_RNA) where: Base-Base interactions energy: -1397.618 where: short stacking energy: -624.400 Base-Backbone interact. energy: -2.271 local terms energy: -674.871050 where: bonds (distance) C4'-P energy: -132.206 bonds (distance) P-C4' energy: -125.925 flat angles C4'-P-C4' energy: -144.298 flat angles P-C4'-P energy: -89.711 tors. eta vs tors. theta energy: -182.731 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: 1 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2088.031969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.031969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.031969 (E_RNA) where: Base-Base interactions energy: -1452.139 where: short stacking energy: -610.985 Base-Backbone interact. energy: -2.833 local terms energy: -633.059984 where: bonds (distance) C4'-P energy: -114.726 bonds (distance) P-C4' energy: -118.150 flat angles C4'-P-C4' energy: -138.537 flat angles P-C4'-P energy: -85.306 tors. eta vs tors. theta energy: -176.340 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: 3, replica: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1907.623859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.623859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.623859 (E_RNA) where: Base-Base interactions energy: -1306.194 where: short stacking energy: -548.716 Base-Backbone interact. energy: -2.184 local terms energy: -599.245060 where: bonds (distance) C4'-P energy: -116.764 bonds (distance) P-C4' energy: -109.191 flat angles C4'-P-C4' energy: -138.338 flat angles P-C4'-P energy: -79.414 tors. eta vs tors. theta energy: -155.538 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: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1830.593375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.593375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.593375 (E_RNA) where: Base-Base interactions energy: -1233.372 where: short stacking energy: -531.167 Base-Backbone interact. energy: 0.928 local terms energy: -598.148732 where: bonds (distance) C4'-P energy: -117.115 bonds (distance) P-C4' energy: -122.926 flat angles C4'-P-C4' energy: -127.246 flat angles P-C4'-P energy: -90.662 tors. eta vs tors. theta energy: -140.201 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: 10 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1616.269776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.269776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.269776 (E_RNA) where: Base-Base interactions energy: -1055.546 where: short stacking energy: -506.545 Base-Backbone interact. energy: 0.084 local terms energy: -560.807829 where: bonds (distance) C4'-P energy: -106.030 bonds (distance) P-C4' energy: -121.639 flat angles C4'-P-C4' energy: -105.378 flat angles P-C4'-P energy: -81.263 tors. eta vs tors. theta energy: -146.497 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: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1382.907402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.907402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.907402 (E_RNA) where: Base-Base interactions energy: -856.510 where: short stacking energy: -377.292 Base-Backbone interact. energy: -0.162 local terms energy: -526.235340 where: bonds (distance) C4'-P energy: -119.379 bonds (distance) P-C4' energy: -102.506 flat angles C4'-P-C4' energy: -123.228 flat angles P-C4'-P energy: -76.635 tors. eta vs tors. theta energy: -104.488 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: 7, replica: 8 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1166.190687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.190687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.190687 (E_RNA) where: Base-Base interactions energy: -715.558 where: short stacking energy: -337.707 Base-Backbone interact. energy: 6.810 local terms energy: -457.443315 where: bonds (distance) C4'-P energy: -106.059 bonds (distance) P-C4' energy: -103.794 flat angles C4'-P-C4' energy: -108.748 flat angles P-C4'-P energy: -66.941 tors. eta vs tors. theta energy: -71.902 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: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1013.987735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.987735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.987735 (E_RNA) where: Base-Base interactions energy: -607.126 where: short stacking energy: -291.972 Base-Backbone interact. energy: -1.957 local terms energy: -404.905004 where: bonds (distance) C4'-P energy: -99.656 bonds (distance) P-C4' energy: -109.282 flat angles C4'-P-C4' energy: -105.836 flat angles P-C4'-P energy: -58.829 tors. eta vs tors. theta energy: -31.302 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: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -952.749938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.749938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.749938 (E_RNA) where: Base-Base interactions energy: -557.892 where: short stacking energy: -241.121 Base-Backbone interact. energy: 1.899 local terms energy: -396.756639 where: bonds (distance) C4'-P energy: -109.347 bonds (distance) P-C4' energy: -100.915 flat angles C4'-P-C4' energy: -95.724 flat angles P-C4'-P energy: -59.745 tors. eta vs tors. theta energy: -31.026 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: 10, replica: 3 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -684.178018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.178018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.178018 (E_RNA) where: Base-Base interactions energy: -338.142 where: short stacking energy: -182.287 Base-Backbone interact. energy: 2.663 local terms energy: -348.698817 where: bonds (distance) C4'-P energy: -97.775 bonds (distance) P-C4' energy: -97.274 flat angles C4'-P-C4' energy: -108.766 flat angles P-C4'-P energy: -49.260 tors. eta vs tors. theta energy: 4.376 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: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2056.851434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.851434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.851434 (E_RNA) where: Base-Base interactions energy: -1383.553 where: short stacking energy: -617.284 Base-Backbone interact. energy: -1.239 local terms energy: -672.059060 where: bonds (distance) C4'-P energy: -126.448 bonds (distance) P-C4' energy: -132.475 flat angles C4'-P-C4' energy: -142.932 flat angles P-C4'-P energy: -89.803 tors. eta vs tors. theta energy: -180.401 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: 2, replica: 1 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2062.266105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.266105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.266105 (E_RNA) where: Base-Base interactions energy: -1416.357 where: short stacking energy: -582.442 Base-Backbone interact. energy: -2.662 local terms energy: -643.247447 where: bonds (distance) C4'-P energy: -110.919 bonds (distance) P-C4' energy: -134.190 flat angles C4'-P-C4' energy: -133.988 flat angles P-C4'-P energy: -94.914 tors. eta vs tors. theta energy: -169.236 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: 3, replica: 5 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1887.337765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.337765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.337765 (E_RNA) where: Base-Base interactions energy: -1278.663 where: short stacking energy: -529.248 Base-Backbone interact. energy: -4.113 local terms energy: -604.562006 where: bonds (distance) C4'-P energy: -120.076 bonds (distance) P-C4' energy: -108.772 flat angles C4'-P-C4' energy: -133.871 flat angles P-C4'-P energy: -80.611 tors. eta vs tors. theta energy: -161.232 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: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1813.926223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.926223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.926223 (E_RNA) where: Base-Base interactions energy: -1236.462 where: short stacking energy: -503.528 Base-Backbone interact. energy: -3.868 local terms energy: -573.595514 where: bonds (distance) C4'-P energy: -120.330 bonds (distance) P-C4' energy: -125.089 flat angles C4'-P-C4' energy: -131.864 flat angles P-C4'-P energy: -73.396 tors. eta vs tors. theta energy: -122.917 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: 10 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1651.996804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.996804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.996804 (E_RNA) where: Base-Base interactions energy: -1118.300 where: short stacking energy: -513.348 Base-Backbone interact. energy: -1.825 local terms energy: -531.871916 where: bonds (distance) C4'-P energy: -89.326 bonds (distance) P-C4' energy: -106.303 flat angles C4'-P-C4' energy: -126.472 flat angles P-C4'-P energy: -71.163 tors. eta vs tors. theta energy: -138.608 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: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1380.464301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.464301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.464301 (E_RNA) where: Base-Base interactions energy: -852.783 where: short stacking energy: -385.865 Base-Backbone interact. energy: 0.470 local terms energy: -528.151504 where: bonds (distance) C4'-P energy: -121.758 bonds (distance) P-C4' energy: -105.750 flat angles C4'-P-C4' energy: -122.226 flat angles P-C4'-P energy: -71.907 tors. eta vs tors. theta energy: -106.510 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: 8 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1129.927383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.927383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.927383 (E_RNA) where: Base-Base interactions energy: -684.011 where: short stacking energy: -324.815 Base-Backbone interact. energy: -0.566 local terms energy: -445.349606 where: bonds (distance) C4'-P energy: -105.878 bonds (distance) P-C4' energy: -113.088 flat angles C4'-P-C4' energy: -100.896 flat angles P-C4'-P energy: -62.965 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: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1056.716585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.716585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.716585 (E_RNA) where: Base-Base interactions energy: -668.722 where: short stacking energy: -311.010 Base-Backbone interact. energy: -1.579 local terms energy: -386.415646 where: bonds (distance) C4'-P energy: -82.115 bonds (distance) P-C4' energy: -89.550 flat angles C4'-P-C4' energy: -105.721 flat angles P-C4'-P energy: -55.514 tors. eta vs tors. theta energy: -53.515 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: 9, replica: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -928.165129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.165129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.165129 (E_RNA) where: Base-Base interactions energy: -553.819 where: short stacking energy: -271.123 Base-Backbone interact. energy: 1.661 local terms energy: -376.007706 where: bonds (distance) C4'-P energy: -84.255 bonds (distance) P-C4' energy: -113.828 flat angles C4'-P-C4' energy: -102.485 flat angles P-C4'-P energy: -37.704 tors. eta vs tors. theta energy: -37.736 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: 10, replica: 3 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -711.346631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.346631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.346631 (E_RNA) where: Base-Base interactions energy: -366.745 where: short stacking energy: -178.313 Base-Backbone interact. energy: -1.475 local terms energy: -343.126318 where: bonds (distance) C4'-P energy: -97.005 bonds (distance) P-C4' energy: -102.458 flat angles C4'-P-C4' energy: -96.583 flat angles P-C4'-P energy: -52.667 tors. eta vs tors. theta energy: 5.587 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: 1, replica: 1 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2087.562327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.562327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.562327 (E_RNA) where: Base-Base interactions energy: -1442.979 where: short stacking energy: -594.455 Base-Backbone interact. energy: -1.411 local terms energy: -643.172846 where: bonds (distance) C4'-P energy: -118.985 bonds (distance) P-C4' energy: -129.536 flat angles C4'-P-C4' energy: -131.421 flat angles P-C4'-P energy: -99.260 tors. eta vs tors. theta energy: -163.972 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: 2, replica: 9 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1994.363092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.363092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.363092 (E_RNA) where: Base-Base interactions energy: -1325.359 where: short stacking energy: -593.625 Base-Backbone interact. energy: -2.974 local terms energy: -666.029508 where: bonds (distance) C4'-P energy: -125.579 bonds (distance) P-C4' energy: -133.437 flat angles C4'-P-C4' energy: -135.024 flat angles P-C4'-P energy: -100.483 tors. eta vs tors. theta energy: -171.506 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: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1955.847893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.847893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.847893 (E_RNA) where: Base-Base interactions energy: -1323.902 where: short stacking energy: -588.356 Base-Backbone interact. energy: -1.351 local terms energy: -630.594865 where: bonds (distance) C4'-P energy: -121.942 bonds (distance) P-C4' energy: -119.942 flat angles C4'-P-C4' energy: -137.458 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -174.440 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: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1811.694383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.694383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.694383 (E_RNA) where: Base-Base interactions energy: -1233.278 where: short stacking energy: -506.051 Base-Backbone interact. energy: -1.946 local terms energy: -576.470437 where: bonds (distance) C4'-P energy: -120.989 bonds (distance) P-C4' energy: -112.496 flat angles C4'-P-C4' energy: -138.969 flat angles P-C4'-P energy: -78.979 tors. eta vs tors. theta energy: -125.037 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: 5, replica: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1662.194965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.194965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.194965 (E_RNA) where: Base-Base interactions energy: -1116.129 where: short stacking energy: -503.962 Base-Backbone interact. energy: -1.832 local terms energy: -544.234520 where: bonds (distance) C4'-P energy: -98.166 bonds (distance) P-C4' energy: -110.560 flat angles C4'-P-C4' energy: -127.146 flat angles P-C4'-P energy: -74.602 tors. eta vs tors. theta energy: -133.762 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: 6, replica: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1342.527834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.527834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.527834 (E_RNA) where: Base-Base interactions energy: -859.078 where: short stacking energy: -404.407 Base-Backbone interact. energy: 1.779 local terms energy: -485.229043 where: bonds (distance) C4'-P energy: -83.919 bonds (distance) P-C4' energy: -127.523 flat angles C4'-P-C4' energy: -104.225 flat angles P-C4'-P energy: -71.332 tors. eta vs tors. theta energy: -98.230 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: 7, replica: 8 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1142.829401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.829401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.829401 (E_RNA) where: Base-Base interactions energy: -706.562 where: short stacking energy: -323.022 Base-Backbone interact. energy: -1.694 local terms energy: -434.573564 where: bonds (distance) C4'-P energy: -102.847 bonds (distance) P-C4' energy: -106.578 flat angles C4'-P-C4' energy: -109.202 flat angles P-C4'-P energy: -67.740 tors. eta vs tors. theta energy: -48.206 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: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1130.782855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.782855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.782855 (E_RNA) where: Base-Base interactions energy: -681.166 where: short stacking energy: -304.379 Base-Backbone interact. energy: 1.968 local terms energy: -451.584625 where: bonds (distance) C4'-P energy: -98.710 bonds (distance) P-C4' energy: -117.503 flat angles C4'-P-C4' energy: -103.338 flat angles P-C4'-P energy: -70.186 tors. eta vs tors. theta energy: -61.849 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: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -914.462707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.462707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.462707 (E_RNA) where: Base-Base interactions energy: -506.519 where: short stacking energy: -263.206 Base-Backbone interact. energy: -0.371 local terms energy: -407.572487 where: bonds (distance) C4'-P energy: -110.594 bonds (distance) P-C4' energy: -113.658 flat angles C4'-P-C4' energy: -100.156 flat angles P-C4'-P energy: -52.496 tors. eta vs tors. theta energy: -30.669 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: 10, replica: 3 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -627.726550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.726550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.726550 (E_RNA) where: Base-Base interactions energy: -308.038 where: short stacking energy: -177.259 Base-Backbone interact. energy: 1.606 local terms energy: -321.294504 where: bonds (distance) C4'-P energy: -98.277 bonds (distance) P-C4' energy: -110.927 flat angles C4'-P-C4' energy: -80.437 flat angles P-C4'-P energy: -40.337 tors. eta vs tors. theta energy: 8.684 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: 1, replica: 1 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2108.694123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.694123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.694123 (E_RNA) where: Base-Base interactions energy: -1454.796 where: short stacking energy: -615.087 Base-Backbone interact. energy: -1.420 local terms energy: -652.478235 where: bonds (distance) C4'-P energy: -104.844 bonds (distance) P-C4' energy: -132.354 flat angles C4'-P-C4' energy: -149.598 flat angles P-C4'-P energy: -96.339 tors. eta vs tors. theta energy: -169.343 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: 9 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2024.344715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.344715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.344715 (E_RNA) where: Base-Base interactions energy: -1369.933 where: short stacking energy: -607.134 Base-Backbone interact. energy: -2.636 local terms energy: -651.775839 where: bonds (distance) C4'-P energy: -118.704 bonds (distance) P-C4' energy: -117.519 flat angles C4'-P-C4' energy: -144.784 flat angles P-C4'-P energy: -86.472 tors. eta vs tors. theta energy: -184.296 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: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1891.274542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.274542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.274542 (E_RNA) where: Base-Base interactions energy: -1307.509 where: short stacking energy: -546.516 Base-Backbone interact. energy: -2.608 local terms energy: -581.157495 where: bonds (distance) C4'-P energy: -89.776 bonds (distance) P-C4' energy: -127.500 flat angles C4'-P-C4' energy: -131.273 flat angles P-C4'-P energy: -83.555 tors. eta vs tors. theta energy: -149.053 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: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1826.952414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.952414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.952414 (E_RNA) where: Base-Base interactions energy: -1264.387 where: short stacking energy: -509.325 Base-Backbone interact. energy: -4.782 local terms energy: -557.784138 where: bonds (distance) C4'-P energy: -101.615 bonds (distance) P-C4' energy: -108.458 flat angles C4'-P-C4' energy: -132.788 flat angles P-C4'-P energy: -82.961 tors. eta vs tors. theta energy: -131.963 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: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1718.138570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.138570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.138570 (E_RNA) where: Base-Base interactions energy: -1139.328 where: short stacking energy: -538.337 Base-Backbone interact. energy: -2.782 local terms energy: -576.028338 where: bonds (distance) C4'-P energy: -113.204 bonds (distance) P-C4' energy: -123.628 flat angles C4'-P-C4' energy: -114.332 flat angles P-C4'-P energy: -79.389 tors. eta vs tors. theta energy: -145.475 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: 101 Temperature: 1.150000 Total energy: -1449.310687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.310687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.310687 (E_RNA) where: Base-Base interactions energy: -930.452 where: short stacking energy: -445.640 Base-Backbone interact. energy: -2.597 local terms energy: -516.261804 where: bonds (distance) C4'-P energy: -100.405 bonds (distance) P-C4' energy: -115.195 flat angles C4'-P-C4' energy: -111.953 flat angles P-C4'-P energy: -69.952 tors. eta vs tors. theta energy: -118.756 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: 8 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1148.653156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.653156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.653156 (E_RNA) where: Base-Base interactions energy: -691.612 where: short stacking energy: -322.680 Base-Backbone interact. energy: 2.120 local terms energy: -459.161203 where: bonds (distance) C4'-P energy: -115.674 bonds (distance) P-C4' energy: -116.717 flat angles C4'-P-C4' energy: -114.552 flat angles P-C4'-P energy: -61.037 tors. eta vs tors. theta energy: -51.182 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: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1054.480595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.480595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.480595 (E_RNA) where: Base-Base interactions energy: -627.286 where: short stacking energy: -304.370 Base-Backbone interact. energy: -0.695 local terms energy: -426.499353 where: bonds (distance) C4'-P energy: -109.848 bonds (distance) P-C4' energy: -102.365 flat angles C4'-P-C4' energy: -102.789 flat angles P-C4'-P energy: -63.399 tors. eta vs tors. theta energy: -48.098 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: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -966.578158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.578158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.578158 (E_RNA) where: Base-Base interactions energy: -547.480 where: short stacking energy: -273.918 Base-Backbone interact. energy: 0.592 local terms energy: -419.690229 where: bonds (distance) C4'-P energy: -102.116 bonds (distance) P-C4' energy: -92.251 flat angles C4'-P-C4' energy: -116.125 flat angles P-C4'-P energy: -65.577 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: 10, replica: 3 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -627.505850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.505850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.505850 (E_RNA) where: Base-Base interactions energy: -288.757 where: short stacking energy: -149.702 Base-Backbone interact. energy: -0.097 local terms energy: -338.651782 where: bonds (distance) C4'-P energy: -108.771 bonds (distance) P-C4' energy: -97.497 flat angles C4'-P-C4' energy: -90.462 flat angles P-C4'-P energy: -50.212 tors. eta vs tors. theta energy: 8.290 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: 1, replica: 1 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2115.231131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.231131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.231131 (E_RNA) where: Base-Base interactions energy: -1439.851 where: short stacking energy: -604.833 Base-Backbone interact. energy: -4.448 local terms energy: -670.932136 where: bonds (distance) C4'-P energy: -127.875 bonds (distance) P-C4' energy: -131.960 flat angles C4'-P-C4' energy: -143.511 flat angles P-C4'-P energy: -89.440 tors. eta vs tors. theta energy: -178.146 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: 2, replica: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2034.237944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.237944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.237944 (E_RNA) where: Base-Base interactions energy: -1376.284 where: short stacking energy: -598.045 Base-Backbone interact. energy: -3.419 local terms energy: -654.534711 where: bonds (distance) C4'-P energy: -123.547 bonds (distance) P-C4' energy: -123.905 flat angles C4'-P-C4' energy: -130.426 flat angles P-C4'-P energy: -89.556 tors. eta vs tors. theta energy: -187.101 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: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1859.232688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.232688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.232688 (E_RNA) where: Base-Base interactions energy: -1271.563 where: short stacking energy: -547.374 Base-Backbone interact. energy: -1.798 local terms energy: -585.871303 where: bonds (distance) C4'-P energy: -101.691 bonds (distance) P-C4' energy: -111.073 flat angles C4'-P-C4' energy: -138.125 flat angles P-C4'-P energy: -79.654 tors. eta vs tors. theta energy: -155.329 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: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1799.572440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.572440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.572440 (E_RNA) where: Base-Base interactions energy: -1243.607 where: short stacking energy: -494.085 Base-Backbone interact. energy: 0.566 local terms energy: -556.531622 where: bonds (distance) C4'-P energy: -109.745 bonds (distance) P-C4' energy: -104.281 flat angles C4'-P-C4' energy: -128.098 flat angles P-C4'-P energy: -83.567 tors. eta vs tors. theta energy: -130.840 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: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1682.921625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.921625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.921625 (E_RNA) where: Base-Base interactions energy: -1131.305 where: short stacking energy: -510.404 Base-Backbone interact. energy: 0.515 local terms energy: -552.131630 where: bonds (distance) C4'-P energy: -95.775 bonds (distance) P-C4' energy: -109.371 flat angles C4'-P-C4' energy: -130.925 flat angles P-C4'-P energy: -78.413 tors. eta vs tors. theta energy: -137.647 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: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1396.342745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.342745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.342745 (E_RNA) where: Base-Base interactions energy: -872.956 where: short stacking energy: -397.580 Base-Backbone interact. energy: -1.733 local terms energy: -521.653464 where: bonds (distance) C4'-P energy: -112.457 bonds (distance) P-C4' energy: -110.984 flat angles C4'-P-C4' energy: -116.159 flat angles P-C4'-P energy: -81.444 tors. eta vs tors. theta energy: -100.609 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: 7, replica: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1173.087301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.087301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.087301 (E_RNA) where: Base-Base interactions energy: -721.677 where: short stacking energy: -332.363 Base-Backbone interact. energy: 1.134 local terms energy: -452.544077 where: bonds (distance) C4'-P energy: -104.834 bonds (distance) P-C4' energy: -109.931 flat angles C4'-P-C4' energy: -118.395 flat angles P-C4'-P energy: -64.957 tors. eta vs tors. theta energy: -54.428 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: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1056.300031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.300031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.300031 (E_RNA) where: Base-Base interactions energy: -628.100 where: short stacking energy: -300.333 Base-Backbone interact. energy: 4.942 local terms energy: -433.142312 where: bonds (distance) C4'-P energy: -95.703 bonds (distance) P-C4' energy: -122.417 flat angles C4'-P-C4' energy: -108.218 flat angles P-C4'-P energy: -60.681 tors. eta vs tors. theta energy: -46.124 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: 9, replica: 2 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -904.533154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.533154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.533154 (E_RNA) where: Base-Base interactions energy: -524.973 where: short stacking energy: -256.763 Base-Backbone interact. energy: 0.506 local terms energy: -380.066237 where: bonds (distance) C4'-P energy: -101.171 bonds (distance) P-C4' energy: -107.930 flat angles C4'-P-C4' energy: -92.126 flat angles P-C4'-P energy: -56.378 tors. eta vs tors. theta energy: -22.460 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: 10, replica: 3 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -628.572218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.572218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.572218 (E_RNA) where: Base-Base interactions energy: -301.328 where: short stacking energy: -200.940 Base-Backbone interact. energy: 6.121 local terms energy: -333.365608 where: bonds (distance) C4'-P energy: -83.885 bonds (distance) P-C4' energy: -103.099 flat angles C4'-P-C4' energy: -91.185 flat angles P-C4'-P energy: -44.881 tors. eta vs tors. theta energy: -10.316 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: 1, replica: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2118.977633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.977633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.977633 (E_RNA) where: Base-Base interactions energy: -1459.585 where: short stacking energy: -619.603 Base-Backbone interact. energy: -4.616 local terms energy: -654.776518 where: bonds (distance) C4'-P energy: -121.821 bonds (distance) P-C4' energy: -125.771 flat angles C4'-P-C4' energy: -139.726 flat angles P-C4'-P energy: -88.379 tors. eta vs tors. theta energy: -179.079 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: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2031.757853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.757853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.757853 (E_RNA) where: Base-Base interactions energy: -1391.116 where: short stacking energy: -601.649 Base-Backbone interact. energy: -3.017 local terms energy: -637.625457 where: bonds (distance) C4'-P energy: -112.268 bonds (distance) P-C4' energy: -118.780 flat angles C4'-P-C4' energy: -141.256 flat angles P-C4'-P energy: -81.408 tors. eta vs tors. theta energy: -183.913 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: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1870.026212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.026212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.026212 (E_RNA) where: Base-Base interactions energy: -1263.107 where: short stacking energy: -549.664 Base-Backbone interact. energy: 1.408 local terms energy: -608.327613 where: bonds (distance) C4'-P energy: -121.162 bonds (distance) P-C4' energy: -114.963 flat angles C4'-P-C4' energy: -141.276 flat angles P-C4'-P energy: -79.547 tors. eta vs tors. theta energy: -151.380 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: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1836.985889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.985889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.985889 (E_RNA) where: Base-Base interactions energy: -1245.445 where: short stacking energy: -515.114 Base-Backbone interact. energy: 4.451 local terms energy: -595.992254 where: bonds (distance) C4'-P energy: -109.945 bonds (distance) P-C4' energy: -132.432 flat angles C4'-P-C4' energy: -133.885 flat angles P-C4'-P energy: -76.132 tors. eta vs tors. theta energy: -143.598 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: 5, replica: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1626.219765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.219765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.219765 (E_RNA) where: Base-Base interactions energy: -1072.787 where: short stacking energy: -485.596 Base-Backbone interact. energy: -2.420 local terms energy: -551.013346 where: bonds (distance) C4'-P energy: -116.325 bonds (distance) P-C4' energy: -94.813 flat angles C4'-P-C4' energy: -136.964 flat angles P-C4'-P energy: -80.197 tors. eta vs tors. theta energy: -122.715 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: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1436.515758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.515758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.515758 (E_RNA) where: Base-Base interactions energy: -904.446 where: short stacking energy: -437.092 Base-Backbone interact. energy: -3.278 local terms energy: -528.791422 where: bonds (distance) C4'-P energy: -110.648 bonds (distance) P-C4' energy: -99.957 flat angles C4'-P-C4' energy: -119.111 flat angles P-C4'-P energy: -84.366 tors. eta vs tors. theta energy: -114.710 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: 7, replica: 8 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1164.867556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.867556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.867556 (E_RNA) where: Base-Base interactions energy: -717.344 where: short stacking energy: -360.843 Base-Backbone interact. energy: 1.353 local terms energy: -448.876505 where: bonds (distance) C4'-P energy: -108.061 bonds (distance) P-C4' energy: -113.583 flat angles C4'-P-C4' energy: -91.589 flat angles P-C4'-P energy: -71.680 tors. eta vs tors. theta energy: -63.963 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: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1135.537546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.537546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.537546 (E_RNA) where: Base-Base interactions energy: -695.349 where: short stacking energy: -325.192 Base-Backbone interact. energy: 7.517 local terms energy: -447.705662 where: bonds (distance) C4'-P energy: -80.240 bonds (distance) P-C4' energy: -132.258 flat angles C4'-P-C4' energy: -112.477 flat angles P-C4'-P energy: -68.564 tors. eta vs tors. theta energy: -54.167 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: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -924.508225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.508225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.508225 (E_RNA) where: Base-Base interactions energy: -525.494 where: short stacking energy: -273.136 Base-Backbone interact. energy: 0.348 local terms energy: -399.362283 where: bonds (distance) C4'-P energy: -100.967 bonds (distance) P-C4' energy: -115.464 flat angles C4'-P-C4' energy: -101.550 flat angles P-C4'-P energy: -65.226 tors. eta vs tors. theta energy: -16.154 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: 10, replica: 3 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -603.439523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.439523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.439523 (E_RNA) where: Base-Base interactions energy: -282.435 where: short stacking energy: -182.656 Base-Backbone interact. energy: -1.381 local terms energy: -319.622721 where: bonds (distance) C4'-P energy: -95.388 bonds (distance) P-C4' energy: -110.626 flat angles C4'-P-C4' energy: -81.765 flat angles P-C4'-P energy: -42.019 tors. eta vs tors. theta energy: 10.175 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: 1, replica: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2139.491064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.491064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.491064 (E_RNA) where: Base-Base interactions energy: -1451.283 where: short stacking energy: -624.219 Base-Backbone interact. energy: -2.933 local terms energy: -685.274981 where: bonds (distance) C4'-P energy: -130.362 bonds (distance) P-C4' energy: -125.796 flat angles C4'-P-C4' energy: -138.211 flat angles P-C4'-P energy: -104.673 tors. eta vs tors. theta energy: -186.232 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: 2, replica: 9 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2043.981363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.981363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.981363 (E_RNA) where: Base-Base interactions energy: -1356.905 where: short stacking energy: -607.708 Base-Backbone interact. energy: -1.807 local terms energy: -685.270219 where: bonds (distance) C4'-P energy: -129.402 bonds (distance) P-C4' energy: -120.435 flat angles C4'-P-C4' energy: -149.404 flat angles P-C4'-P energy: -101.201 tors. eta vs tors. theta energy: -184.829 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: 104 Temperature: 1.000000 Total energy: -1850.814919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.814919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.814919 (E_RNA) where: Base-Base interactions energy: -1256.653 where: short stacking energy: -525.632 Base-Backbone interact. energy: -2.404 local terms energy: -591.758501 where: bonds (distance) C4'-P energy: -126.799 bonds (distance) P-C4' energy: -117.236 flat angles C4'-P-C4' energy: -133.853 flat angles P-C4'-P energy: -80.399 tors. eta vs tors. theta energy: -133.471 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: 4, replica: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1793.315296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.315296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.315296 (E_RNA) where: Base-Base interactions energy: -1212.556 where: short stacking energy: -504.029 Base-Backbone interact. energy: -2.413 local terms energy: -578.345825 where: bonds (distance) C4'-P energy: -111.960 bonds (distance) P-C4' energy: -115.568 flat angles C4'-P-C4' energy: -120.696 flat angles P-C4'-P energy: -87.395 tors. eta vs tors. theta energy: -142.728 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: 5, replica: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1599.965964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.965964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.965964 (E_RNA) where: Base-Base interactions energy: -1047.633 where: short stacking energy: -487.981 Base-Backbone interact. energy: -1.743 local terms energy: -550.589765 where: bonds (distance) C4'-P energy: -106.694 bonds (distance) P-C4' energy: -112.563 flat angles C4'-P-C4' energy: -123.766 flat angles P-C4'-P energy: -77.000 tors. eta vs tors. theta energy: -130.567 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: 104 Temperature: 1.150000 Total energy: -1456.115957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.115957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.115957 (E_RNA) where: Base-Base interactions energy: -959.286 where: short stacking energy: -453.656 Base-Backbone interact. energy: 0.454 local terms energy: -497.283939 where: bonds (distance) C4'-P energy: -102.389 bonds (distance) P-C4' energy: -99.311 flat angles C4'-P-C4' energy: -114.943 flat angles P-C4'-P energy: -64.167 tors. eta vs tors. theta energy: -116.474 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: 8 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1224.966395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.966395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.966395 (E_RNA) where: Base-Base interactions energy: -751.894 where: short stacking energy: -369.130 Base-Backbone interact. energy: -1.374 local terms energy: -471.697636 where: bonds (distance) C4'-P energy: -113.640 bonds (distance) P-C4' energy: -99.538 flat angles C4'-P-C4' energy: -105.490 flat angles P-C4'-P energy: -70.439 tors. eta vs tors. theta energy: -82.591 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: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1123.039948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.039948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.039948 (E_RNA) where: Base-Base interactions energy: -689.281 where: short stacking energy: -313.904 Base-Backbone interact. energy: -1.599 local terms energy: -432.159640 where: bonds (distance) C4'-P energy: -113.935 bonds (distance) P-C4' energy: -110.855 flat angles C4'-P-C4' energy: -105.568 flat angles P-C4'-P energy: -49.540 tors. eta vs tors. theta energy: -52.262 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: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -885.306382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.306382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.306382 (E_RNA) where: Base-Base interactions energy: -509.353 where: short stacking energy: -272.567 Base-Backbone interact. energy: 2.278 local terms energy: -378.231222 where: bonds (distance) C4'-P energy: -98.982 bonds (distance) P-C4' energy: -101.518 flat angles C4'-P-C4' energy: -95.343 flat angles P-C4'-P energy: -51.734 tors. eta vs tors. theta energy: -30.655 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: 10, replica: 3 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -596.409517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.409517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.409517 (E_RNA) where: Base-Base interactions energy: -260.335 where: short stacking energy: -171.516 Base-Backbone interact. energy: 3.689 local terms energy: -339.763473 where: bonds (distance) C4'-P energy: -96.844 bonds (distance) P-C4' energy: -113.593 flat angles C4'-P-C4' energy: -90.208 flat angles P-C4'-P energy: -49.007 tors. eta vs tors. theta energy: 9.888 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: 1, replica: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2158.991125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.991125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.991125 (E_RNA) where: Base-Base interactions energy: -1480.413 where: short stacking energy: -605.273 Base-Backbone interact. energy: -4.305 local terms energy: -674.273276 where: bonds (distance) C4'-P energy: -132.252 bonds (distance) P-C4' energy: -124.797 flat angles C4'-P-C4' energy: -141.743 flat angles P-C4'-P energy: -95.096 tors. eta vs tors. theta energy: -180.385 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: 2, replica: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1986.956411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.956411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.956411 (E_RNA) where: Base-Base interactions energy: -1349.502 where: short stacking energy: -584.180 Base-Backbone interact. energy: -1.905 local terms energy: -635.549221 where: bonds (distance) C4'-P energy: -116.285 bonds (distance) P-C4' energy: -108.749 flat angles C4'-P-C4' energy: -135.425 flat angles P-C4'-P energy: -98.479 tors. eta vs tors. theta energy: -176.611 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: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1867.714671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.714671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.714671 (E_RNA) where: Base-Base interactions energy: -1282.395 where: short stacking energy: -549.982 Base-Backbone interact. energy: -4.005 local terms energy: -581.314568 where: bonds (distance) C4'-P energy: -115.080 bonds (distance) P-C4' energy: -116.149 flat angles C4'-P-C4' energy: -116.904 flat angles P-C4'-P energy: -92.760 tors. eta vs tors. theta energy: -140.421 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: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1843.105461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.105461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.105461 (E_RNA) where: Base-Base interactions energy: -1261.278 where: short stacking energy: -539.262 Base-Backbone interact. energy: -1.050 local terms energy: -580.776964 where: bonds (distance) C4'-P energy: -119.935 bonds (distance) P-C4' energy: -114.884 flat angles C4'-P-C4' energy: -132.101 flat angles P-C4'-P energy: -62.025 tors. eta vs tors. theta energy: -151.832 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: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1606.857010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.857010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.857010 (E_RNA) where: Base-Base interactions energy: -1044.982 where: short stacking energy: -483.836 Base-Backbone interact. energy: 1.819 local terms energy: -563.693488 where: bonds (distance) C4'-P energy: -119.616 bonds (distance) P-C4' energy: -122.446 flat angles C4'-P-C4' energy: -123.239 flat angles P-C4'-P energy: -78.035 tors. eta vs tors. theta energy: -120.357 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: 105 Temperature: 1.150000 Total energy: -1403.831194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.831194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.831194 (E_RNA) where: Base-Base interactions energy: -884.382 where: short stacking energy: -423.639 Base-Backbone interact. energy: -0.265 local terms energy: -519.184150 where: bonds (distance) C4'-P energy: -122.951 bonds (distance) P-C4' energy: -120.074 flat angles C4'-P-C4' energy: -108.494 flat angles P-C4'-P energy: -70.989 tors. eta vs tors. theta energy: -96.675 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: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1130.568458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.568458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.568458 (E_RNA) where: Base-Base interactions energy: -679.825 where: short stacking energy: -332.800 Base-Backbone interact. energy: -1.903 local terms energy: -448.840573 where: bonds (distance) C4'-P energy: -112.469 bonds (distance) P-C4' energy: -110.238 flat angles C4'-P-C4' energy: -105.136 flat angles P-C4'-P energy: -67.262 tors. eta vs tors. theta energy: -53.735 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: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1056.882659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.882659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.882659 (E_RNA) where: Base-Base interactions energy: -661.458 where: short stacking energy: -284.977 Base-Backbone interact. energy: -0.307 local terms energy: -395.117756 where: bonds (distance) C4'-P energy: -85.908 bonds (distance) P-C4' energy: -115.222 flat angles C4'-P-C4' energy: -104.757 flat angles P-C4'-P energy: -62.908 tors. eta vs tors. theta energy: -26.322 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: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -852.868493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.868493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.868493 (E_RNA) where: Base-Base interactions energy: -462.510 where: short stacking energy: -243.957 Base-Backbone interact. energy: -1.645 local terms energy: -388.713833 where: bonds (distance) C4'-P energy: -93.974 bonds (distance) P-C4' energy: -95.033 flat angles C4'-P-C4' energy: -99.122 flat angles P-C4'-P energy: -65.787 tors. eta vs tors. theta energy: -34.798 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: 3 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -633.008517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.008517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.008517 (E_RNA) where: Base-Base interactions energy: -308.962 where: short stacking energy: -163.903 Base-Backbone interact. energy: 2.637 local terms energy: -326.683491 where: bonds (distance) C4'-P energy: -101.321 bonds (distance) P-C4' energy: -99.365 flat angles C4'-P-C4' energy: -96.366 flat angles P-C4'-P energy: -52.854 tors. eta vs tors. theta energy: 23.223 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: 1 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2159.164888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.164888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.164888 (E_RNA) where: Base-Base interactions energy: -1508.323 where: short stacking energy: -639.024 Base-Backbone interact. energy: -1.083 local terms energy: -649.758551 where: bonds (distance) C4'-P energy: -123.124 bonds (distance) P-C4' energy: -117.818 flat angles C4'-P-C4' energy: -137.777 flat angles P-C4'-P energy: -86.500 tors. eta vs tors. theta energy: -184.539 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: 2, replica: 9 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1995.081637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.081637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.081637 (E_RNA) where: Base-Base interactions energy: -1377.471 where: short stacking energy: -612.724 Base-Backbone interact. energy: -0.508 local terms energy: -617.102525 where: bonds (distance) C4'-P energy: -124.206 bonds (distance) P-C4' energy: -104.591 flat angles C4'-P-C4' energy: -125.450 flat angles P-C4'-P energy: -94.916 tors. eta vs tors. theta energy: -167.940 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: 3, replica: 4 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1913.987455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.987455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.987455 (E_RNA) where: Base-Base interactions energy: -1306.411 where: short stacking energy: -564.539 Base-Backbone interact. energy: -2.187 local terms energy: -605.388803 where: bonds (distance) C4'-P energy: -98.037 bonds (distance) P-C4' energy: -115.263 flat angles C4'-P-C4' energy: -149.286 flat angles P-C4'-P energy: -88.761 tors. eta vs tors. theta energy: -154.041 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: 4, replica: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1830.840461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.840461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.840461 (E_RNA) where: Base-Base interactions energy: -1241.220 where: short stacking energy: -522.287 Base-Backbone interact. energy: -3.733 local terms energy: -585.887273 where: bonds (distance) C4'-P energy: -108.499 bonds (distance) P-C4' energy: -124.248 flat angles C4'-P-C4' energy: -125.661 flat angles P-C4'-P energy: -70.905 tors. eta vs tors. theta energy: -156.574 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: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1629.923878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.923878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.923878 (E_RNA) where: Base-Base interactions energy: -1070.773 where: short stacking energy: -480.692 Base-Backbone interact. energy: -2.108 local terms energy: -557.043052 where: bonds (distance) C4'-P energy: -94.057 bonds (distance) P-C4' energy: -106.244 flat angles C4'-P-C4' energy: -130.543 flat angles P-C4'-P energy: -83.834 tors. eta vs tors. theta energy: -142.366 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: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1473.993063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.993063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.993063 (E_RNA) where: Base-Base interactions energy: -948.434 where: short stacking energy: -434.194 Base-Backbone interact. energy: -1.050 local terms energy: -524.508646 where: bonds (distance) C4'-P energy: -114.606 bonds (distance) P-C4' energy: -112.341 flat angles C4'-P-C4' energy: -130.132 flat angles P-C4'-P energy: -67.116 tors. eta vs tors. theta energy: -100.313 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: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1142.699433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.699433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.699433 (E_RNA) where: Base-Base interactions energy: -676.129 where: short stacking energy: -335.120 Base-Backbone interact. energy: -1.138 local terms energy: -465.432170 where: bonds (distance) C4'-P energy: -100.139 bonds (distance) P-C4' energy: -111.087 flat angles C4'-P-C4' energy: -118.603 flat angles P-C4'-P energy: -71.475 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: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1155.435859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.435859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.435859 (E_RNA) where: Base-Base interactions energy: -726.628 where: short stacking energy: -336.375 Base-Backbone interact. energy: 3.581 local terms energy: -432.388978 where: bonds (distance) C4'-P energy: -106.864 bonds (distance) P-C4' energy: -99.341 flat angles C4'-P-C4' energy: -105.818 flat angles P-C4'-P energy: -55.245 tors. eta vs tors. theta energy: -65.120 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: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -962.310078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.310078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.310078 (E_RNA) where: Base-Base interactions energy: -544.873 where: short stacking energy: -272.173 Base-Backbone interact. energy: -2.690 local terms energy: -414.747121 where: bonds (distance) C4'-P energy: -95.309 bonds (distance) P-C4' energy: -102.951 flat angles C4'-P-C4' energy: -101.510 flat angles P-C4'-P energy: -62.890 tors. eta vs tors. theta energy: -52.087 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: 10, replica: 3 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -622.677273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.677273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.677273 (E_RNA) where: Base-Base interactions energy: -292.481 where: short stacking energy: -159.130 Base-Backbone interact. energy: 0.755 local terms energy: -330.951444 where: bonds (distance) C4'-P energy: -113.921 bonds (distance) P-C4' energy: -101.667 flat angles C4'-P-C4' energy: -82.037 flat angles P-C4'-P energy: -29.255 tors. eta vs tors. theta energy: -4.071 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: 1, replica: 1 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2187.004740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.004740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.004740 (E_RNA) where: Base-Base interactions energy: -1492.359 where: short stacking energy: -616.051 Base-Backbone interact. energy: -5.920 local terms energy: -688.724838 where: bonds (distance) C4'-P energy: -127.163 bonds (distance) P-C4' energy: -142.557 flat angles C4'-P-C4' energy: -140.369 flat angles P-C4'-P energy: -91.302 tors. eta vs tors. theta energy: -187.333 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: 2, replica: 9 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2002.711388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.711388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.711388 (E_RNA) where: Base-Base interactions energy: -1348.728 where: short stacking energy: -590.564 Base-Backbone interact. energy: -0.831 local terms energy: -653.152395 where: bonds (distance) C4'-P energy: -109.184 bonds (distance) P-C4' energy: -125.607 flat angles C4'-P-C4' energy: -143.966 flat angles P-C4'-P energy: -97.222 tors. eta vs tors. theta energy: -177.172 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: 3, replica: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1893.016090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.016090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.016090 (E_RNA) where: Base-Base interactions energy: -1309.089 where: short stacking energy: -548.721 Base-Backbone interact. energy: -2.980 local terms energy: -580.947390 where: bonds (distance) C4'-P energy: -106.360 bonds (distance) P-C4' energy: -113.421 flat angles C4'-P-C4' energy: -125.198 flat angles P-C4'-P energy: -94.564 tors. eta vs tors. theta energy: -141.405 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: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1834.655408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.655408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.655408 (E_RNA) where: Base-Base interactions energy: -1252.873 where: short stacking energy: -529.973 Base-Backbone interact. energy: -2.182 local terms energy: -579.600774 where: bonds (distance) C4'-P energy: -107.636 bonds (distance) P-C4' energy: -105.597 flat angles C4'-P-C4' energy: -137.613 flat angles P-C4'-P energy: -77.777 tors. eta vs tors. theta energy: -150.978 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: 5, replica: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1663.751201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.751201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.751201 (E_RNA) where: Base-Base interactions energy: -1094.985 where: short stacking energy: -516.968 Base-Backbone interact. energy: -1.769 local terms energy: -566.997473 where: bonds (distance) C4'-P energy: -98.793 bonds (distance) P-C4' energy: -113.394 flat angles C4'-P-C4' energy: -141.206 flat angles P-C4'-P energy: -65.766 tors. eta vs tors. theta energy: -147.839 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: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1490.703991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.703991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.703991 (E_RNA) where: Base-Base interactions energy: -979.957 where: short stacking energy: -451.781 Base-Backbone interact. energy: 1.444 local terms energy: -512.191109 where: bonds (distance) C4'-P energy: -114.035 bonds (distance) P-C4' energy: -104.484 flat angles C4'-P-C4' energy: -103.068 flat angles P-C4'-P energy: -73.351 tors. eta vs tors. theta energy: -117.253 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: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1097.034250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.034250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.034250 (E_RNA) where: Base-Base interactions energy: -657.181 where: short stacking energy: -308.659 Base-Backbone interact. energy: -2.020 local terms energy: -437.833945 where: bonds (distance) C4'-P energy: -116.771 bonds (distance) P-C4' energy: -101.414 flat angles C4'-P-C4' energy: -110.958 flat angles P-C4'-P energy: -55.765 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: 107 Temperature: 1.250000 Total energy: -1219.114786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.114786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.114786 (E_RNA) where: Base-Base interactions energy: -788.601 where: short stacking energy: -346.563 Base-Backbone interact. energy: -1.375 local terms energy: -429.139222 where: bonds (distance) C4'-P energy: -95.738 bonds (distance) P-C4' energy: -101.806 flat angles C4'-P-C4' energy: -92.519 flat angles P-C4'-P energy: -75.901 tors. eta vs tors. theta energy: -63.175 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: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -939.074260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.074260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.074260 (E_RNA) where: Base-Base interactions energy: -536.751 where: short stacking energy: -261.709 Base-Backbone interact. energy: -0.414 local terms energy: -401.909995 where: bonds (distance) C4'-P energy: -100.085 bonds (distance) P-C4' energy: -97.796 flat angles C4'-P-C4' energy: -93.168 flat angles P-C4'-P energy: -71.145 tors. eta vs tors. theta energy: -39.715 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: 3 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -639.265914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.265914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.265914 (E_RNA) where: Base-Base interactions energy: -309.502 where: short stacking energy: -142.805 Base-Backbone interact. energy: 1.238 local terms energy: -331.001933 where: bonds (distance) C4'-P energy: -102.649 bonds (distance) P-C4' energy: -112.772 flat angles C4'-P-C4' energy: -73.594 flat angles P-C4'-P energy: -59.721 tors. eta vs tors. theta energy: 17.734 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: 1, replica: 1 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2141.205557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.205557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.205557 (E_RNA) where: Base-Base interactions energy: -1465.043 where: short stacking energy: -615.088 Base-Backbone interact. energy: -0.114 local terms energy: -676.047898 where: bonds (distance) C4'-P energy: -112.299 bonds (distance) P-C4' energy: -141.368 flat angles C4'-P-C4' energy: -143.901 flat angles P-C4'-P energy: -94.129 tors. eta vs tors. theta energy: -184.351 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: 9 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1966.306608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.306608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.306608 (E_RNA) where: Base-Base interactions energy: -1323.655 where: short stacking energy: -575.896 Base-Backbone interact. energy: -0.965 local terms energy: -641.687278 where: bonds (distance) C4'-P energy: -99.171 bonds (distance) P-C4' energy: -126.776 flat angles C4'-P-C4' energy: -140.328 flat angles P-C4'-P energy: -107.078 tors. eta vs tors. theta energy: -168.335 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: 4 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1887.335994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.335994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.335994 (E_RNA) where: Base-Base interactions energy: -1299.805 where: short stacking energy: -530.160 Base-Backbone interact. energy: -2.218 local terms energy: -585.313416 where: bonds (distance) C4'-P energy: -117.369 bonds (distance) P-C4' energy: -127.959 flat angles C4'-P-C4' energy: -134.391 flat angles P-C4'-P energy: -74.856 tors. eta vs tors. theta energy: -130.738 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: 4, replica: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1797.739179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.739179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.739179 (E_RNA) where: Base-Base interactions energy: -1213.765 where: short stacking energy: -510.113 Base-Backbone interact. energy: -5.124 local terms energy: -578.849744 where: bonds (distance) C4'-P energy: -103.300 bonds (distance) P-C4' energy: -127.810 flat angles C4'-P-C4' energy: -116.689 flat angles P-C4'-P energy: -93.638 tors. eta vs tors. theta energy: -137.413 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: 5, replica: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1675.737986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.737986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.737986 (E_RNA) where: Base-Base interactions energy: -1079.886 where: short stacking energy: -506.203 Base-Backbone interact. energy: 0.192 local terms energy: -596.044188 where: bonds (distance) C4'-P energy: -124.647 bonds (distance) P-C4' energy: -112.833 flat angles C4'-P-C4' energy: -128.886 flat angles P-C4'-P energy: -82.969 tors. eta vs tors. theta energy: -146.708 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: 6, replica: 7 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1463.282078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.282078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.282078 (E_RNA) where: Base-Base interactions energy: -917.647 where: short stacking energy: -437.314 Base-Backbone interact. energy: -2.890 local terms energy: -542.744943 where: bonds (distance) C4'-P energy: -112.095 bonds (distance) P-C4' energy: -121.846 flat angles C4'-P-C4' energy: -116.817 flat angles P-C4'-P energy: -75.535 tors. eta vs tors. theta energy: -116.452 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: 7, replica: 8 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1313.260125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.260125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.260125 (E_RNA) where: Base-Base interactions energy: -847.101 where: short stacking energy: -384.713 Base-Backbone interact. energy: -0.717 local terms energy: -465.441472 where: bonds (distance) C4'-P energy: -97.317 bonds (distance) P-C4' energy: -107.533 flat angles C4'-P-C4' energy: -105.905 flat angles P-C4'-P energy: -73.711 tors. eta vs tors. theta energy: -80.976 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: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1085.621959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.621959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.621959 (E_RNA) where: Base-Base interactions energy: -665.522 where: short stacking energy: -308.467 Base-Backbone interact. energy: 0.188 local terms energy: -420.288131 where: bonds (distance) C4'-P energy: -108.605 bonds (distance) P-C4' energy: -119.810 flat angles C4'-P-C4' energy: -96.362 flat angles P-C4'-P energy: -44.135 tors. eta vs tors. theta energy: -51.376 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: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -914.029323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.029323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.029323 (E_RNA) where: Base-Base interactions energy: -478.880 where: short stacking energy: -229.684 Base-Backbone interact. energy: 0.296 local terms energy: -435.445105 where: bonds (distance) C4'-P energy: -104.657 bonds (distance) P-C4' energy: -114.605 flat angles C4'-P-C4' energy: -120.962 flat angles P-C4'-P energy: -54.273 tors. eta vs tors. theta energy: -40.948 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: 10, replica: 3 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -627.806903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.806903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.806903 (E_RNA) where: Base-Base interactions energy: -302.271 where: short stacking energy: -164.960 Base-Backbone interact. energy: -1.767 local terms energy: -323.769575 where: bonds (distance) C4'-P energy: -98.282 bonds (distance) P-C4' energy: -116.429 flat angles C4'-P-C4' energy: -100.260 flat angles P-C4'-P energy: -31.132 tors. eta vs tors. theta energy: 22.333 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: 1, replica: 1 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2163.332634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.332634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.332634 (E_RNA) where: Base-Base interactions energy: -1500.568 where: short stacking energy: -606.415 Base-Backbone interact. energy: -6.406 local terms energy: -656.358142 where: bonds (distance) C4'-P energy: -119.193 bonds (distance) P-C4' energy: -127.675 flat angles C4'-P-C4' energy: -139.623 flat angles P-C4'-P energy: -80.522 tors. eta vs tors. theta energy: -189.344 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: 2, replica: 9 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1992.788960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.788960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.788960 (E_RNA) where: Base-Base interactions energy: -1335.446 where: short stacking energy: -578.985 Base-Backbone interact. energy: -2.302 local terms energy: -655.041803 where: bonds (distance) C4'-P energy: -124.872 bonds (distance) P-C4' energy: -124.092 flat angles C4'-P-C4' energy: -136.496 flat angles P-C4'-P energy: -96.317 tors. eta vs tors. theta energy: -173.266 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: 3, replica: 4 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1879.617500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.617500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.617500 (E_RNA) where: Base-Base interactions energy: -1272.312 where: short stacking energy: -530.229 Base-Backbone interact. energy: -4.546 local terms energy: -602.759710 where: bonds (distance) C4'-P energy: -114.352 bonds (distance) P-C4' energy: -132.336 flat angles C4'-P-C4' energy: -134.324 flat angles P-C4'-P energy: -84.923 tors. eta vs tors. theta energy: -136.825 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: 4, replica: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1795.106911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.106911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.106911 (E_RNA) where: Base-Base interactions energy: -1255.624 where: short stacking energy: -517.100 Base-Backbone interact. energy: 1.108 local terms energy: -540.590394 where: bonds (distance) C4'-P energy: -97.189 bonds (distance) P-C4' energy: -99.848 flat angles C4'-P-C4' energy: -122.726 flat angles P-C4'-P energy: -81.345 tors. eta vs tors. theta energy: -139.482 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: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1668.409721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.409721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.409721 (E_RNA) where: Base-Base interactions energy: -1110.963 where: short stacking energy: -506.769 Base-Backbone interact. energy: -1.953 local terms energy: -555.493201 where: bonds (distance) C4'-P energy: -103.551 bonds (distance) P-C4' energy: -109.732 flat angles C4'-P-C4' energy: -126.894 flat angles P-C4'-P energy: -80.220 tors. eta vs tors. theta energy: -135.096 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: 6, replica: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1429.167868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.167868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.167868 (E_RNA) where: Base-Base interactions energy: -922.122 where: short stacking energy: -427.341 Base-Backbone interact. energy: -2.578 local terms energy: -504.467798 where: bonds (distance) C4'-P energy: -105.192 bonds (distance) P-C4' energy: -111.006 flat angles C4'-P-C4' energy: -109.241 flat angles P-C4'-P energy: -87.839 tors. eta vs tors. theta energy: -91.189 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: 7, replica: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1276.491750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.491750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.491750 (E_RNA) where: Base-Base interactions energy: -797.637 where: short stacking energy: -372.982 Base-Backbone interact. energy: 0.020 local terms energy: -478.874855 where: bonds (distance) C4'-P energy: -104.706 bonds (distance) P-C4' energy: -110.964 flat angles C4'-P-C4' energy: -130.257 flat angles P-C4'-P energy: -57.658 tors. eta vs tors. theta energy: -75.290 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: 8, replica: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1109.940987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.940987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.940987 (E_RNA) where: Base-Base interactions energy: -690.217 where: short stacking energy: -302.180 Base-Backbone interact. energy: -3.506 local terms energy: -416.217799 where: bonds (distance) C4'-P energy: -99.030 bonds (distance) P-C4' energy: -103.171 flat angles C4'-P-C4' energy: -113.268 flat angles P-C4'-P energy: -66.799 tors. eta vs tors. theta energy: -33.949 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: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -885.942374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.942374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.942374 (E_RNA) where: Base-Base interactions energy: -508.256 where: short stacking energy: -247.251 Base-Backbone interact. energy: 0.218 local terms energy: -377.904700 where: bonds (distance) C4'-P energy: -106.952 bonds (distance) P-C4' energy: -104.973 flat angles C4'-P-C4' energy: -95.121 flat angles P-C4'-P energy: -40.783 tors. eta vs tors. theta energy: -30.076 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: 3 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -597.293536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.293536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.293536 (E_RNA) where: Base-Base interactions energy: -284.052 where: short stacking energy: -177.529 Base-Backbone interact. energy: 4.533 local terms energy: -317.774151 where: bonds (distance) C4'-P energy: -94.899 bonds (distance) P-C4' energy: -112.907 flat angles C4'-P-C4' energy: -79.219 flat angles P-C4'-P energy: -46.174 tors. eta vs tors. theta energy: 15.425 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: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2163.703518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.703518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.703518 (E_RNA) where: Base-Base interactions energy: -1477.966 where: short stacking energy: -596.444 Base-Backbone interact. energy: -2.780 local terms energy: -682.956737 where: bonds (distance) C4'-P energy: -128.763 bonds (distance) P-C4' energy: -138.906 flat angles C4'-P-C4' energy: -135.274 flat angles P-C4'-P energy: -95.585 tors. eta vs tors. theta energy: -184.428 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: 2, replica: 9 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2026.558149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.558149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.558149 (E_RNA) where: Base-Base interactions energy: -1379.345 where: short stacking energy: -589.264 Base-Backbone interact. energy: -2.084 local terms energy: -645.128847 where: bonds (distance) C4'-P energy: -116.011 bonds (distance) P-C4' energy: -129.212 flat angles C4'-P-C4' energy: -139.880 flat angles P-C4'-P energy: -81.688 tors. eta vs tors. theta energy: -178.338 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: 3, replica: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1899.588492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.588492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.588492 (E_RNA) where: Base-Base interactions energy: -1289.769 where: short stacking energy: -549.227 Base-Backbone interact. energy: -4.411 local terms energy: -605.408513 where: bonds (distance) C4'-P energy: -117.345 bonds (distance) P-C4' energy: -128.794 flat angles C4'-P-C4' energy: -137.870 flat angles P-C4'-P energy: -81.765 tors. eta vs tors. theta energy: -139.634 Dist. restrs. and SS energy: 0.000 (S_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: 110 Temperature: 1.050000 Total energy: -1765.772513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.772513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.772513 (E_RNA) where: Base-Base interactions energy: -1178.468 where: short stacking energy: -506.204 Base-Backbone interact. energy: 1.466 local terms energy: -588.770783 where: bonds (distance) C4'-P energy: -115.155 bonds (distance) P-C4' energy: -115.526 flat angles C4'-P-C4' energy: -125.664 flat angles P-C4'-P energy: -84.647 tors. eta vs tors. theta energy: -147.779 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: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1637.083061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.083061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.083061 (E_RNA) where: Base-Base interactions energy: -1056.201 where: short stacking energy: -499.173 Base-Backbone interact. energy: -3.340 local terms energy: -577.542112 where: bonds (distance) C4'-P energy: -113.784 bonds (distance) P-C4' energy: -106.170 flat angles C4'-P-C4' energy: -133.775 flat angles P-C4'-P energy: -86.406 tors. eta vs tors. theta energy: -137.408 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: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1410.014873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.014873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.014873 (E_RNA) where: Base-Base interactions energy: -880.588 where: short stacking energy: -401.564 Base-Backbone interact. energy: -1.935 local terms energy: -527.491236 where: bonds (distance) C4'-P energy: -109.413 bonds (distance) P-C4' energy: -133.577 flat angles C4'-P-C4' energy: -108.728 flat angles P-C4'-P energy: -80.683 tors. eta vs tors. theta energy: -95.091 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: 7, replica: 8 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1210.388497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.388497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.388497 (E_RNA) where: Base-Base interactions energy: -767.935 where: short stacking energy: -338.074 Base-Backbone interact. energy: 4.781 local terms energy: -447.233697 where: bonds (distance) C4'-P energy: -118.821 bonds (distance) P-C4' energy: -99.869 flat angles C4'-P-C4' energy: -104.328 flat angles P-C4'-P energy: -64.634 tors. eta vs tors. theta energy: -59.582 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: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1120.759051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.759051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.759051 (E_RNA) where: Base-Base interactions energy: -690.778 where: short stacking energy: -317.855 Base-Backbone interact. energy: -2.120 local terms energy: -427.861038 where: bonds (distance) C4'-P energy: -103.169 bonds (distance) P-C4' energy: -95.558 flat angles C4'-P-C4' energy: -109.838 flat angles P-C4'-P energy: -67.196 tors. eta vs tors. theta energy: -52.100 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: 9, replica: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -953.233288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.233288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.233288 (E_RNA) where: Base-Base interactions energy: -556.880 where: short stacking energy: -266.698 Base-Backbone interact. energy: -1.535 local terms energy: -394.818844 where: bonds (distance) C4'-P energy: -100.105 bonds (distance) P-C4' energy: -112.068 flat angles C4'-P-C4' energy: -84.536 flat angles P-C4'-P energy: -63.387 tors. eta vs tors. theta energy: -34.723 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: 10, replica: 3 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -609.416284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.416284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.416284 (E_RNA) where: Base-Base interactions energy: -258.349 where: short stacking energy: -158.822 Base-Backbone interact. energy: 6.767 local terms energy: -357.834315 where: bonds (distance) C4'-P energy: -96.074 bonds (distance) P-C4' energy: -107.287 flat angles C4'-P-C4' energy: -98.529 flat angles P-C4'-P energy: -54.078 tors. eta vs tors. theta energy: -1.867 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: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2160.119766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.119766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.119766 (E_RNA) where: Base-Base interactions energy: -1506.010 where: short stacking energy: -628.665 Base-Backbone interact. energy: -3.113 local terms energy: -650.997331 where: bonds (distance) C4'-P energy: -124.239 bonds (distance) P-C4' energy: -128.750 flat angles C4'-P-C4' energy: -136.685 flat angles P-C4'-P energy: -77.178 tors. eta vs tors. theta energy: -184.146 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: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2023.318481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.318481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.318481 (E_RNA) where: Base-Base interactions energy: -1378.961 where: short stacking energy: -584.879 Base-Backbone interact. energy: -2.313 local terms energy: -642.043860 where: bonds (distance) C4'-P energy: -115.669 bonds (distance) P-C4' energy: -123.634 flat angles C4'-P-C4' energy: -141.812 flat angles P-C4'-P energy: -84.142 tors. eta vs tors. theta energy: -176.787 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: 3, replica: 4 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1881.236201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.236201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.236201 (E_RNA) where: Base-Base interactions energy: -1281.238 where: short stacking energy: -549.422 Base-Backbone interact. energy: 3.144 local terms energy: -603.142358 where: bonds (distance) C4'-P energy: -112.474 bonds (distance) P-C4' energy: -127.634 flat angles C4'-P-C4' energy: -132.829 flat angles P-C4'-P energy: -80.223 tors. eta vs tors. theta energy: -149.982 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: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1748.022310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.022310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.022310 (E_RNA) where: Base-Base interactions energy: -1149.629 where: short stacking energy: -459.995 Base-Backbone interact. energy: -4.305 local terms energy: -594.088254 where: bonds (distance) C4'-P energy: -119.972 bonds (distance) P-C4' energy: -119.820 flat angles C4'-P-C4' energy: -130.410 flat angles P-C4'-P energy: -83.646 tors. eta vs tors. theta energy: -140.240 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: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1639.538762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.538762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.538762 (E_RNA) where: Base-Base interactions energy: -1074.582 where: short stacking energy: -501.973 Base-Backbone interact. energy: 5.603 local terms energy: -570.560036 where: bonds (distance) C4'-P energy: -127.972 bonds (distance) P-C4' energy: -103.074 flat angles C4'-P-C4' energy: -128.866 flat angles P-C4'-P energy: -73.344 tors. eta vs tors. theta energy: -137.303 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: 6, replica: 7 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1428.319358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.319358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.319358 (E_RNA) where: Base-Base interactions energy: -907.310 where: short stacking energy: -413.825 Base-Backbone interact. energy: -1.371 local terms energy: -519.638533 where: bonds (distance) C4'-P energy: -97.709 bonds (distance) P-C4' energy: -110.724 flat angles C4'-P-C4' energy: -120.297 flat angles P-C4'-P energy: -83.360 tors. eta vs tors. theta energy: -107.549 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: 8 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1153.669458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.669458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.669458 (E_RNA) where: Base-Base interactions energy: -721.424 where: short stacking energy: -332.894 Base-Backbone interact. energy: -0.261 local terms energy: -431.983937 where: bonds (distance) C4'-P energy: -96.507 bonds (distance) P-C4' energy: -96.060 flat angles C4'-P-C4' energy: -113.238 flat angles P-C4'-P energy: -69.158 tors. eta vs tors. theta energy: -57.021 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: 8, replica: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1069.679094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.679094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.679094 (E_RNA) where: Base-Base interactions energy: -665.572 where: short stacking energy: -288.884 Base-Backbone interact. energy: 6.040 local terms energy: -410.147160 where: bonds (distance) C4'-P energy: -100.209 bonds (distance) P-C4' energy: -111.205 flat angles C4'-P-C4' energy: -95.037 flat angles P-C4'-P energy: -67.825 tors. eta vs tors. theta energy: -35.872 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: 9, replica: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -973.713789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.713789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.713789 (E_RNA) where: Base-Base interactions energy: -584.175 where: short stacking energy: -300.352 Base-Backbone interact. energy: 4.666 local terms energy: -394.205261 where: bonds (distance) C4'-P energy: -94.235 bonds (distance) P-C4' energy: -96.676 flat angles C4'-P-C4' energy: -90.906 flat angles P-C4'-P energy: -64.951 tors. eta vs tors. theta energy: -47.437 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: 3 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -550.054905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.054905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.054905 (E_RNA) where: Base-Base interactions energy: -218.484 where: short stacking energy: -144.341 Base-Backbone interact. energy: -1.610 local terms energy: -329.960907 where: bonds (distance) C4'-P energy: -92.850 bonds (distance) P-C4' energy: -103.840 flat angles C4'-P-C4' energy: -93.818 flat angles P-C4'-P energy: -51.831 tors. eta vs tors. theta energy: 12.377 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: 1 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2179.666900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.666900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.666900 (E_RNA) where: Base-Base interactions energy: -1503.626 where: short stacking energy: -628.331 Base-Backbone interact. energy: -5.942 local terms energy: -670.099048 where: bonds (distance) C4'-P energy: -125.461 bonds (distance) P-C4' energy: -125.329 flat angles C4'-P-C4' energy: -148.641 flat angles P-C4'-P energy: -100.150 tors. eta vs tors. theta energy: -170.518 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: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1961.565194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.565194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.565194 (E_RNA) where: Base-Base interactions energy: -1339.258 where: short stacking energy: -579.947 Base-Backbone interact. energy: -2.457 local terms energy: -619.850469 where: bonds (distance) C4'-P energy: -115.046 bonds (distance) P-C4' energy: -117.998 flat angles C4'-P-C4' energy: -137.574 flat angles P-C4'-P energy: -85.493 tors. eta vs tors. theta energy: -163.739 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: 3, replica: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1869.628576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.628576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.628576 (E_RNA) where: Base-Base interactions energy: -1264.305 where: short stacking energy: -528.296 Base-Backbone interact. energy: -1.713 local terms energy: -603.611384 where: bonds (distance) C4'-P energy: -113.259 bonds (distance) P-C4' energy: -114.974 flat angles C4'-P-C4' energy: -142.581 flat angles P-C4'-P energy: -92.741 tors. eta vs tors. theta energy: -140.056 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: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1744.098506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.098506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.098506 (E_RNA) where: Base-Base interactions energy: -1160.947 where: short stacking energy: -480.249 Base-Backbone interact. energy: -0.543 local terms energy: -582.608613 where: bonds (distance) C4'-P energy: -113.351 bonds (distance) P-C4' energy: -108.099 flat angles C4'-P-C4' energy: -129.733 flat angles P-C4'-P energy: -85.329 tors. eta vs tors. theta energy: -146.095 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: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1609.954326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.954326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.954326 (E_RNA) where: Base-Base interactions energy: -1046.257 where: short stacking energy: -487.011 Base-Backbone interact. energy: -2.442 local terms energy: -561.255305 where: bonds (distance) C4'-P energy: -121.457 bonds (distance) P-C4' energy: -112.093 flat angles C4'-P-C4' energy: -134.865 flat angles P-C4'-P energy: -63.482 tors. eta vs tors. theta energy: -129.358 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: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1463.900277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.900277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.900277 (E_RNA) where: Base-Base interactions energy: -938.911 where: short stacking energy: -451.140 Base-Backbone interact. energy: -1.244 local terms energy: -523.744958 where: bonds (distance) C4'-P energy: -103.323 bonds (distance) P-C4' energy: -120.839 flat angles C4'-P-C4' energy: -124.457 flat angles P-C4'-P energy: -64.811 tors. eta vs tors. theta energy: -110.315 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: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1201.089642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.089642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.089642 (E_RNA) where: Base-Base interactions energy: -725.174 where: short stacking energy: -341.862 Base-Backbone interact. energy: 1.616 local terms energy: -477.531085 where: bonds (distance) C4'-P energy: -99.936 bonds (distance) P-C4' energy: -132.945 flat angles C4'-P-C4' energy: -111.261 flat angles P-C4'-P energy: -70.075 tors. eta vs tors. theta energy: -63.314 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: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1081.565541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.565541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.565541 (E_RNA) where: Base-Base interactions energy: -661.643 where: short stacking energy: -317.234 Base-Backbone interact. energy: -2.136 local terms energy: -417.786582 where: bonds (distance) C4'-P energy: -113.114 bonds (distance) P-C4' energy: -101.111 flat angles C4'-P-C4' energy: -105.166 flat angles P-C4'-P energy: -59.473 tors. eta vs tors. theta energy: -38.924 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: 9, replica: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -960.537001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.537001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.537001 (E_RNA) where: Base-Base interactions energy: -555.511 where: short stacking energy: -269.180 Base-Backbone interact. energy: -0.803 local terms energy: -404.222408 where: bonds (distance) C4'-P energy: -111.238 bonds (distance) P-C4' energy: -97.785 flat angles C4'-P-C4' energy: -100.317 flat angles P-C4'-P energy: -60.067 tors. eta vs tors. theta energy: -34.816 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: 10, replica: 3 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -570.174032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.174032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.174032 (E_RNA) where: Base-Base interactions energy: -255.413 where: short stacking energy: -172.969 Base-Backbone interact. energy: 2.612 local terms energy: -317.373515 where: bonds (distance) C4'-P energy: -95.330 bonds (distance) P-C4' energy: -107.233 flat angles C4'-P-C4' energy: -69.134 flat angles P-C4'-P energy: -59.601 tors. eta vs tors. theta energy: 13.925 Dist. restrs. and SS energy: 0.000 (S_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: 113 Temperature: 0.900000 Total energy: -2183.395711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.395711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.395711 (E_RNA) where: Base-Base interactions energy: -1504.474 where: short stacking energy: -604.744 Base-Backbone interact. energy: -0.911 local terms energy: -678.011044 where: bonds (distance) C4'-P energy: -119.325 bonds (distance) P-C4' energy: -137.925 flat angles C4'-P-C4' energy: -144.534 flat angles P-C4'-P energy: -94.512 tors. eta vs tors. theta energy: -181.715 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: 9 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1985.110575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.110575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.110575 (E_RNA) where: Base-Base interactions energy: -1350.992 where: short stacking energy: -582.075 Base-Backbone interact. energy: -2.414 local terms energy: -631.704513 where: bonds (distance) C4'-P energy: -112.019 bonds (distance) P-C4' energy: -118.978 flat angles C4'-P-C4' energy: -140.527 flat angles P-C4'-P energy: -91.970 tors. eta vs tors. theta energy: -168.210 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: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1875.375162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.375162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.375162 (E_RNA) where: Base-Base interactions energy: -1269.203 where: short stacking energy: -534.021 Base-Backbone interact. energy: -0.066 local terms energy: -606.106170 where: bonds (distance) C4'-P energy: -120.577 bonds (distance) P-C4' energy: -116.011 flat angles C4'-P-C4' energy: -141.394 flat angles P-C4'-P energy: -92.112 tors. eta vs tors. theta energy: -136.013 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: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1826.815313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.815313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.815313 (E_RNA) where: Base-Base interactions energy: -1225.265 where: short stacking energy: -534.587 Base-Backbone interact. energy: -0.570 local terms energy: -600.980994 where: bonds (distance) C4'-P energy: -96.328 bonds (distance) P-C4' energy: -130.358 flat angles C4'-P-C4' energy: -139.631 flat angles P-C4'-P energy: -80.514 tors. eta vs tors. theta energy: -154.149 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: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1610.346667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.346667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.346667 (E_RNA) where: Base-Base interactions energy: -1043.285 where: short stacking energy: -501.003 Base-Backbone interact. energy: 1.228 local terms energy: -568.289480 where: bonds (distance) C4'-P energy: -107.849 bonds (distance) P-C4' energy: -115.189 flat angles C4'-P-C4' energy: -135.308 flat angles P-C4'-P energy: -79.234 tors. eta vs tors. theta energy: -130.709 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: 6, replica: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1494.079758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.079758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.079758 (E_RNA) where: Base-Base interactions energy: -947.102 where: short stacking energy: -430.986 Base-Backbone interact. energy: -0.120 local terms energy: -546.857341 where: bonds (distance) C4'-P energy: -110.345 bonds (distance) P-C4' energy: -112.609 flat angles C4'-P-C4' energy: -121.534 flat angles P-C4'-P energy: -92.590 tors. eta vs tors. theta energy: -109.780 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: 7, replica: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1229.276904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.276904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.276904 (E_RNA) where: Base-Base interactions energy: -769.555 where: short stacking energy: -373.179 Base-Backbone interact. energy: -4.945 local terms energy: -454.776832 where: bonds (distance) C4'-P energy: -91.579 bonds (distance) P-C4' energy: -118.250 flat angles C4'-P-C4' energy: -115.329 flat angles P-C4'-P energy: -59.348 tors. eta vs tors. theta energy: -70.270 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: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1081.293119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.293119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.293119 (E_RNA) where: Base-Base interactions energy: -651.573 where: short stacking energy: -329.646 Base-Backbone interact. energy: -2.682 local terms energy: -427.037581 where: bonds (distance) C4'-P energy: -106.058 bonds (distance) P-C4' energy: -114.158 flat angles C4'-P-C4' energy: -107.117 flat angles P-C4'-P energy: -43.120 tors. eta vs tors. theta energy: -56.584 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: 9, replica: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -857.626775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.626775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.626775 (E_RNA) where: Base-Base interactions energy: -486.479 where: short stacking energy: -246.420 Base-Backbone interact. energy: 4.219 local terms energy: -375.366061 where: bonds (distance) C4'-P energy: -100.123 bonds (distance) P-C4' energy: -113.260 flat angles C4'-P-C4' energy: -89.650 flat angles P-C4'-P energy: -52.744 tors. eta vs tors. theta energy: -19.590 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: 3 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -629.933513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.933513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.933513 (E_RNA) where: Base-Base interactions energy: -324.211 where: short stacking energy: -181.554 Base-Backbone interact. energy: -0.162 local terms energy: -305.560429 where: bonds (distance) C4'-P energy: -90.862 bonds (distance) P-C4' energy: -82.540 flat angles C4'-P-C4' energy: -83.098 flat angles P-C4'-P energy: -54.329 tors. eta vs tors. theta energy: 5.269 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: 1, replica: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2189.507784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.507784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.507784 (E_RNA) where: Base-Base interactions energy: -1525.303 where: short stacking energy: -620.505 Base-Backbone interact. energy: -3.576 local terms energy: -660.629161 where: bonds (distance) C4'-P energy: -111.311 bonds (distance) P-C4' energy: -121.291 flat angles C4'-P-C4' energy: -150.829 flat angles P-C4'-P energy: -94.872 tors. eta vs tors. theta energy: -182.326 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: 2, replica: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1981.946477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.946477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.946477 (E_RNA) where: Base-Base interactions energy: -1324.972 where: short stacking energy: -591.735 Base-Backbone interact. energy: -1.244 local terms energy: -655.730440 where: bonds (distance) C4'-P energy: -104.005 bonds (distance) P-C4' energy: -135.904 flat angles C4'-P-C4' energy: -137.710 flat angles P-C4'-P energy: -91.536 tors. eta vs tors. theta energy: -186.576 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: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1864.227579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.227579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.227579 (E_RNA) where: Base-Base interactions energy: -1287.766 where: short stacking energy: -517.661 Base-Backbone interact. energy: -3.151 local terms energy: -573.310701 where: bonds (distance) C4'-P energy: -105.423 bonds (distance) P-C4' energy: -114.647 flat angles C4'-P-C4' energy: -130.457 flat angles P-C4'-P energy: -90.245 tors. eta vs tors. theta energy: -132.539 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: 4, replica: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1753.978500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.978500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.978500 (E_RNA) where: Base-Base interactions energy: -1198.561 where: short stacking energy: -514.164 Base-Backbone interact. energy: -2.316 local terms energy: -553.101315 where: bonds (distance) C4'-P energy: -117.771 bonds (distance) P-C4' energy: -118.614 flat angles C4'-P-C4' energy: -110.101 flat angles P-C4'-P energy: -71.602 tors. eta vs tors. theta energy: -135.014 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: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1574.524063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.524063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.524063 (E_RNA) where: Base-Base interactions energy: -1031.802 where: short stacking energy: -487.951 Base-Backbone interact. energy: 1.225 local terms energy: -543.947537 where: bonds (distance) C4'-P energy: -110.557 bonds (distance) P-C4' energy: -99.075 flat angles C4'-P-C4' energy: -131.532 flat angles P-C4'-P energy: -81.219 tors. eta vs tors. theta energy: -121.564 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: 6, replica: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1518.668334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.668334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.668334 (E_RNA) where: Base-Base interactions energy: -999.635 where: short stacking energy: -476.634 Base-Backbone interact. energy: -3.093 local terms energy: -515.939994 where: bonds (distance) C4'-P energy: -96.832 bonds (distance) P-C4' energy: -97.576 flat angles C4'-P-C4' energy: -139.451 flat angles P-C4'-P energy: -67.745 tors. eta vs tors. theta energy: -114.336 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: 8 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1190.374395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.374395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.374395 (E_RNA) where: Base-Base interactions energy: -715.556 where: short stacking energy: -332.374 Base-Backbone interact. energy: 4.039 local terms energy: -478.856952 where: bonds (distance) C4'-P energy: -121.101 bonds (distance) P-C4' energy: -110.733 flat angles C4'-P-C4' energy: -112.422 flat angles P-C4'-P energy: -66.391 tors. eta vs tors. theta energy: -68.210 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: 8, replica: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1048.394625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.394625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.394625 (E_RNA) where: Base-Base interactions energy: -650.784 where: short stacking energy: -286.966 Base-Backbone interact. energy: 2.132 local terms energy: -399.742562 where: bonds (distance) C4'-P energy: -100.205 bonds (distance) P-C4' energy: -100.616 flat angles C4'-P-C4' energy: -98.918 flat angles P-C4'-P energy: -59.705 tors. eta vs tors. theta energy: -40.298 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: 9, replica: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -834.344360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.344360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.344360 (E_RNA) where: Base-Base interactions energy: -469.891 where: short stacking energy: -222.424 Base-Backbone interact. energy: -0.377 local terms energy: -364.076178 where: bonds (distance) C4'-P energy: -90.319 bonds (distance) P-C4' energy: -107.895 flat angles C4'-P-C4' energy: -85.913 flat angles P-C4'-P energy: -50.270 tors. eta vs tors. theta energy: -29.680 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: 3 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -553.152910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.152910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.152910 (E_RNA) where: Base-Base interactions energy: -265.388 where: short stacking energy: -174.317 Base-Backbone interact. energy: 5.403 local terms energy: -293.167543 where: bonds (distance) C4'-P energy: -79.429 bonds (distance) P-C4' energy: -90.004 flat angles C4'-P-C4' energy: -81.126 flat angles P-C4'-P energy: -51.116 tors. eta vs tors. theta energy: 8.508 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: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2182.243739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.243739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.243739 (E_RNA) where: Base-Base interactions energy: -1530.596 where: short stacking energy: -623.217 Base-Backbone interact. energy: -2.150 local terms energy: -649.497210 where: bonds (distance) C4'-P energy: -107.269 bonds (distance) P-C4' energy: -127.496 flat angles C4'-P-C4' energy: -133.345 flat angles P-C4'-P energy: -100.564 tors. eta vs tors. theta energy: -180.823 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: 2, replica: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2003.772195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.772195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.772195 (E_RNA) where: Base-Base interactions energy: -1334.247 where: short stacking energy: -611.186 Base-Backbone interact. energy: -1.567 local terms energy: -667.958176 where: bonds (distance) C4'-P energy: -130.189 bonds (distance) P-C4' energy: -125.007 flat angles C4'-P-C4' energy: -148.111 flat angles P-C4'-P energy: -88.046 tors. eta vs tors. theta energy: -176.605 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: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1892.301786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.301786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.301786 (E_RNA) where: Base-Base interactions energy: -1293.894 where: short stacking energy: -537.230 Base-Backbone interact. energy: -1.752 local terms energy: -596.656377 where: bonds (distance) C4'-P energy: -121.979 bonds (distance) P-C4' energy: -117.199 flat angles C4'-P-C4' energy: -126.099 flat angles P-C4'-P energy: -95.350 tors. eta vs tors. theta energy: -136.030 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: 4, replica: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1798.728296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.728296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.728296 (E_RNA) where: Base-Base interactions energy: -1216.028 where: short stacking energy: -512.938 Base-Backbone interact. energy: -2.128 local terms energy: -580.572538 where: bonds (distance) C4'-P energy: -119.073 bonds (distance) P-C4' energy: -129.251 flat angles C4'-P-C4' energy: -117.772 flat angles P-C4'-P energy: -78.453 tors. eta vs tors. theta energy: -136.024 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: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1596.240805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.240805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.240805 (E_RNA) where: Base-Base interactions energy: -1034.870 where: short stacking energy: -463.412 Base-Backbone interact. energy: -1.792 local terms energy: -559.579105 where: bonds (distance) C4'-P energy: -107.638 bonds (distance) P-C4' energy: -115.709 flat angles C4'-P-C4' energy: -120.372 flat angles P-C4'-P energy: -91.295 tors. eta vs tors. theta energy: -124.565 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: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1471.397650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.397650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.397650 (E_RNA) where: Base-Base interactions energy: -941.351 where: short stacking energy: -431.860 Base-Backbone interact. energy: -2.163 local terms energy: -527.883631 where: bonds (distance) C4'-P energy: -91.755 bonds (distance) P-C4' energy: -123.671 flat angles C4'-P-C4' energy: -123.451 flat angles P-C4'-P energy: -73.240 tors. eta vs tors. theta energy: -115.767 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: 8 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1241.709039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.709039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.709039 (E_RNA) where: Base-Base interactions energy: -799.314 where: short stacking energy: -357.980 Base-Backbone interact. energy: -2.346 local terms energy: -440.049038 where: bonds (distance) C4'-P energy: -94.632 bonds (distance) P-C4' energy: -108.428 flat angles C4'-P-C4' energy: -103.637 flat angles P-C4'-P energy: -52.642 tors. eta vs tors. theta energy: -80.710 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: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1082.028160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.028160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.028160 (E_RNA) where: Base-Base interactions energy: -653.395 where: short stacking energy: -306.769 Base-Backbone interact. energy: -3.007 local terms energy: -425.625916 where: bonds (distance) C4'-P energy: -91.197 bonds (distance) P-C4' energy: -97.706 flat angles C4'-P-C4' energy: -107.593 flat angles P-C4'-P energy: -67.489 tors. eta vs tors. theta energy: -61.642 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: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -895.223495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.223495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.223495 (E_RNA) where: Base-Base interactions energy: -510.443 where: short stacking energy: -244.776 Base-Backbone interact. energy: 5.818 local terms energy: -390.598420 where: bonds (distance) C4'-P energy: -92.031 bonds (distance) P-C4' energy: -107.049 flat angles C4'-P-C4' energy: -105.954 flat angles P-C4'-P energy: -45.809 tors. eta vs tors. theta energy: -39.755 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: 10, replica: 3 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -605.442042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.442042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.442042 (E_RNA) where: Base-Base interactions energy: -265.720 where: short stacking energy: -151.516 Base-Backbone interact. energy: -2.230 local terms energy: -337.492469 where: bonds (distance) C4'-P energy: -103.653 bonds (distance) P-C4' energy: -110.856 flat angles C4'-P-C4' energy: -96.032 flat angles P-C4'-P energy: -37.310 tors. eta vs tors. theta energy: 10.359 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: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2184.456904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.456904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.456904 (E_RNA) where: Base-Base interactions energy: -1517.833 where: short stacking energy: -598.717 Base-Backbone interact. energy: 3.330 local terms energy: -669.954050 where: bonds (distance) C4'-P energy: -129.689 bonds (distance) P-C4' energy: -122.868 flat angles C4'-P-C4' energy: -138.562 flat angles P-C4'-P energy: -100.343 tors. eta vs tors. theta energy: -178.492 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: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1944.963607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.963607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.963607 (E_RNA) where: Base-Base interactions energy: -1289.778 where: short stacking energy: -598.527 Base-Backbone interact. energy: -2.298 local terms energy: -652.887544 where: bonds (distance) C4'-P energy: -121.421 bonds (distance) P-C4' energy: -120.746 flat angles C4'-P-C4' energy: -143.111 flat angles P-C4'-P energy: -86.624 tors. eta vs tors. theta energy: -180.986 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: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1887.797936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.797936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.797936 (E_RNA) where: Base-Base interactions energy: -1276.577 where: short stacking energy: -555.661 Base-Backbone interact. energy: -1.821 local terms energy: -609.400219 where: bonds (distance) C4'-P energy: -117.041 bonds (distance) P-C4' energy: -125.571 flat angles C4'-P-C4' energy: -138.064 flat angles P-C4'-P energy: -84.619 tors. eta vs tors. theta energy: -144.104 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: 4, replica: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1815.630909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.630909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.630909 (E_RNA) where: Base-Base interactions energy: -1236.412 where: short stacking energy: -515.936 Base-Backbone interact. energy: -2.547 local terms energy: -576.671356 where: bonds (distance) C4'-P energy: -117.851 bonds (distance) P-C4' energy: -117.910 flat angles C4'-P-C4' energy: -120.892 flat angles P-C4'-P energy: -77.498 tors. eta vs tors. theta energy: -142.520 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: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1553.382189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.382189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.382189 (E_RNA) where: Base-Base interactions energy: -1008.704 where: short stacking energy: -455.785 Base-Backbone interact. energy: -2.184 local terms energy: -542.494498 where: bonds (distance) C4'-P energy: -106.460 bonds (distance) P-C4' energy: -119.577 flat angles C4'-P-C4' energy: -119.621 flat angles P-C4'-P energy: -78.464 tors. eta vs tors. theta energy: -118.373 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: 6, replica: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1480.224356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.224356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.224356 (E_RNA) where: Base-Base interactions energy: -976.153 where: short stacking energy: -432.892 Base-Backbone interact. energy: 0.413 local terms energy: -504.483690 where: bonds (distance) C4'-P energy: -98.376 bonds (distance) P-C4' energy: -101.024 flat angles C4'-P-C4' energy: -117.189 flat angles P-C4'-P energy: -76.670 tors. eta vs tors. theta energy: -111.225 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: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1238.617598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.617598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.617598 (E_RNA) where: Base-Base interactions energy: -768.823 where: short stacking energy: -360.084 Base-Backbone interact. energy: -0.521 local terms energy: -469.274068 where: bonds (distance) C4'-P energy: -106.810 bonds (distance) P-C4' energy: -120.844 flat angles C4'-P-C4' energy: -122.383 flat angles P-C4'-P energy: -70.532 tors. eta vs tors. theta energy: -48.705 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: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1085.285323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.285323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.285323 (E_RNA) where: Base-Base interactions energy: -670.058 where: short stacking energy: -299.970 Base-Backbone interact. energy: -2.354 local terms energy: -412.873162 where: bonds (distance) C4'-P energy: -99.309 bonds (distance) P-C4' energy: -105.425 flat angles C4'-P-C4' energy: -90.585 flat angles P-C4'-P energy: -63.893 tors. eta vs tors. theta energy: -53.662 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: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -886.429263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.429263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.429263 (E_RNA) where: Base-Base interactions energy: -513.402 where: short stacking energy: -251.350 Base-Backbone interact. energy: 5.388 local terms energy: -378.415248 where: bonds (distance) C4'-P energy: -94.829 bonds (distance) P-C4' energy: -97.319 flat angles C4'-P-C4' energy: -89.982 flat angles P-C4'-P energy: -61.810 tors. eta vs tors. theta energy: -34.476 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: 10, replica: 3 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -587.358878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.358878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.358878 (E_RNA) where: Base-Base interactions energy: -242.579 where: short stacking energy: -144.378 Base-Backbone interact. energy: -1.331 local terms energy: -343.449247 where: bonds (distance) C4'-P energy: -116.223 bonds (distance) P-C4' energy: -106.954 flat angles C4'-P-C4' energy: -98.570 flat angles P-C4'-P energy: -40.887 tors. eta vs tors. theta energy: 19.185 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: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2200.788717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.788717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.788717 (E_RNA) where: Base-Base interactions energy: -1544.633 where: short stacking energy: -630.282 Base-Backbone interact. energy: -0.981 local terms energy: -655.174896 where: bonds (distance) C4'-P energy: -119.793 bonds (distance) P-C4' energy: -130.256 flat angles C4'-P-C4' energy: -143.627 flat angles P-C4'-P energy: -87.605 tors. eta vs tors. theta energy: -173.893 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: 2, replica: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1929.534488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.534488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.534488 (E_RNA) where: Base-Base interactions energy: -1283.549 where: short stacking energy: -562.261 Base-Backbone interact. energy: -0.475 local terms energy: -645.510268 where: bonds (distance) C4'-P energy: -123.522 bonds (distance) P-C4' energy: -128.644 flat angles C4'-P-C4' energy: -144.457 flat angles P-C4'-P energy: -80.387 tors. eta vs tors. theta energy: -168.501 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: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1928.249815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.249815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.249815 (E_RNA) where: Base-Base interactions energy: -1320.893 where: short stacking energy: -562.703 Base-Backbone interact. energy: -2.654 local terms energy: -604.702576 where: bonds (distance) C4'-P energy: -113.773 bonds (distance) P-C4' energy: -131.269 flat angles C4'-P-C4' energy: -120.865 flat angles P-C4'-P energy: -90.239 tors. eta vs tors. theta energy: -148.557 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: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1774.508118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.508118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.508118 (E_RNA) where: Base-Base interactions energy: -1198.181 where: short stacking energy: -497.949 Base-Backbone interact. energy: 1.054 local terms energy: -577.381680 where: bonds (distance) C4'-P energy: -108.046 bonds (distance) P-C4' energy: -129.228 flat angles C4'-P-C4' energy: -126.132 flat angles P-C4'-P energy: -79.253 tors. eta vs tors. theta energy: -134.723 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: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1652.020979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.020979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.020979 (E_RNA) where: Base-Base interactions energy: -1090.303 where: short stacking energy: -472.404 Base-Backbone interact. energy: -0.649 local terms energy: -561.068514 where: bonds (distance) C4'-P energy: -94.167 bonds (distance) P-C4' energy: -128.953 flat angles C4'-P-C4' energy: -123.640 flat angles P-C4'-P energy: -87.202 tors. eta vs tors. theta energy: -127.105 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: 117 Temperature: 1.150000 Total energy: -1472.954051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.954051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.954051 (E_RNA) where: Base-Base interactions energy: -936.402 where: short stacking energy: -450.210 Base-Backbone interact. energy: 0.822 local terms energy: -537.374107 where: bonds (distance) C4'-P energy: -106.459 bonds (distance) P-C4' energy: -113.347 flat angles C4'-P-C4' energy: -128.220 flat angles P-C4'-P energy: -59.684 tors. eta vs tors. theta energy: -129.665 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: 7, replica: 8 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1243.042163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.042163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.042163 (E_RNA) where: Base-Base interactions energy: -779.559 where: short stacking energy: -358.289 Base-Backbone interact. energy: -2.551 local terms energy: -460.932211 where: bonds (distance) C4'-P energy: -91.122 bonds (distance) P-C4' energy: -127.288 flat angles C4'-P-C4' energy: -110.812 flat angles P-C4'-P energy: -49.589 tors. eta vs tors. theta energy: -82.120 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: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1114.182872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.182872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.182872 (E_RNA) where: Base-Base interactions energy: -661.798 where: short stacking energy: -314.669 Base-Backbone interact. energy: -2.510 local terms energy: -449.874889 where: bonds (distance) C4'-P energy: -108.090 bonds (distance) P-C4' energy: -109.453 flat angles C4'-P-C4' energy: -105.681 flat angles P-C4'-P energy: -75.561 tors. eta vs tors. theta energy: -51.091 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: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -928.439943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.439943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.439943 (E_RNA) where: Base-Base interactions energy: -559.450 where: short stacking energy: -275.057 Base-Backbone interact. energy: -0.277 local terms energy: -368.712435 where: bonds (distance) C4'-P energy: -86.872 bonds (distance) P-C4' energy: -93.666 flat angles C4'-P-C4' energy: -89.653 flat angles P-C4'-P energy: -52.021 tors. eta vs tors. theta energy: -46.501 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: 3 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -586.972342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.972342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.972342 (E_RNA) where: Base-Base interactions energy: -274.970 where: short stacking energy: -168.786 Base-Backbone interact. energy: -2.240 local terms energy: -309.762401 where: bonds (distance) C4'-P energy: -90.247 bonds (distance) P-C4' energy: -112.405 flat angles C4'-P-C4' energy: -85.565 flat angles P-C4'-P energy: -43.123 tors. eta vs tors. theta energy: 21.577 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: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2207.049526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.049526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.049526 (E_RNA) where: Base-Base interactions energy: -1530.689 where: short stacking energy: -609.091 Base-Backbone interact. energy: -4.630 local terms energy: -671.730661 where: bonds (distance) C4'-P energy: -130.890 bonds (distance) P-C4' energy: -133.457 flat angles C4'-P-C4' energy: -136.123 flat angles P-C4'-P energy: -86.468 tors. eta vs tors. theta energy: -184.793 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: 2, replica: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1991.812702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.812702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.812702 (E_RNA) where: Base-Base interactions energy: -1369.921 where: short stacking energy: -586.553 Base-Backbone interact. energy: -0.450 local terms energy: -621.441950 where: bonds (distance) C4'-P energy: -112.149 bonds (distance) P-C4' energy: -121.467 flat angles C4'-P-C4' energy: -135.466 flat angles P-C4'-P energy: -91.529 tors. eta vs tors. theta energy: -160.832 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: 3, replica: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1906.210184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.210184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.210184 (E_RNA) where: Base-Base interactions energy: -1304.536 where: short stacking energy: -555.577 Base-Backbone interact. energy: -4.353 local terms energy: -597.320771 where: bonds (distance) C4'-P energy: -132.774 bonds (distance) P-C4' energy: -106.703 flat angles C4'-P-C4' energy: -133.193 flat angles P-C4'-P energy: -76.573 tors. eta vs tors. theta energy: -148.079 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: 4, replica: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1776.858199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.858199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.858199 (E_RNA) where: Base-Base interactions energy: -1196.016 where: short stacking energy: -524.070 Base-Backbone interact. energy: 4.538 local terms energy: -585.380242 where: bonds (distance) C4'-P energy: -105.450 bonds (distance) P-C4' energy: -115.020 flat angles C4'-P-C4' energy: -129.485 flat angles P-C4'-P energy: -83.147 tors. eta vs tors. theta energy: -152.279 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: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1610.990276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.990276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.990276 (E_RNA) where: Base-Base interactions energy: -1058.038 where: short stacking energy: -470.727 Base-Backbone interact. energy: -0.221 local terms energy: -552.730680 where: bonds (distance) C4'-P energy: -111.626 bonds (distance) P-C4' energy: -117.120 flat angles C4'-P-C4' energy: -120.037 flat angles P-C4'-P energy: -88.023 tors. eta vs tors. theta energy: -115.924 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: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1507.091546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.091546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.091546 (E_RNA) where: Base-Base interactions energy: -972.681 where: short stacking energy: -457.088 Base-Backbone interact. energy: -0.975 local terms energy: -533.435550 where: bonds (distance) C4'-P energy: -102.955 bonds (distance) P-C4' energy: -121.394 flat angles C4'-P-C4' energy: -119.913 flat angles P-C4'-P energy: -71.015 tors. eta vs tors. theta energy: -118.159 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: 7, replica: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1194.404941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.404941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.404941 (E_RNA) where: Base-Base interactions energy: -735.311 where: short stacking energy: -334.713 Base-Backbone interact. energy: 0.950 local terms energy: -460.043416 where: bonds (distance) C4'-P energy: -100.201 bonds (distance) P-C4' energy: -122.814 flat angles C4'-P-C4' energy: -107.918 flat angles P-C4'-P energy: -65.300 tors. eta vs tors. theta energy: -63.811 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: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1117.162990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.162990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.162990 (E_RNA) where: Base-Base interactions energy: -670.837 where: short stacking energy: -300.423 Base-Backbone interact. energy: -0.004 local terms energy: -446.321792 where: bonds (distance) C4'-P energy: -108.027 bonds (distance) P-C4' energy: -105.840 flat angles C4'-P-C4' energy: -109.449 flat angles P-C4'-P energy: -82.261 tors. eta vs tors. theta energy: -40.745 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: 9, replica: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -910.376736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.376736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.376736 (E_RNA) where: Base-Base interactions energy: -520.348 where: short stacking energy: -243.111 Base-Backbone interact. energy: -2.331 local terms energy: -387.698096 where: bonds (distance) C4'-P energy: -113.842 bonds (distance) P-C4' energy: -102.376 flat angles C4'-P-C4' energy: -108.414 flat angles P-C4'-P energy: -49.089 tors. eta vs tors. theta energy: -13.977 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: 3 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -637.395926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.395926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.395926 (E_RNA) where: Base-Base interactions energy: -300.425 where: short stacking energy: -165.110 Base-Backbone interact. energy: 2.903 local terms energy: -339.874547 where: bonds (distance) C4'-P energy: -103.257 bonds (distance) P-C4' energy: -107.262 flat angles C4'-P-C4' energy: -85.446 flat angles P-C4'-P energy: -60.273 tors. eta vs tors. theta energy: 16.364 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: 1, replica: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2180.581977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.581977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.581977 (E_RNA) where: Base-Base interactions energy: -1518.052 where: short stacking energy: -626.693 Base-Backbone interact. energy: 1.433 local terms energy: -663.963418 where: bonds (distance) C4'-P energy: -118.979 bonds (distance) P-C4' energy: -126.102 flat angles C4'-P-C4' energy: -137.710 flat angles P-C4'-P energy: -94.640 tors. eta vs tors. theta energy: -186.533 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: 2, replica: 9 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2032.072117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.072117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.072117 (E_RNA) where: Base-Base interactions energy: -1389.522 where: short stacking energy: -593.351 Base-Backbone interact. energy: -2.743 local terms energy: -639.807120 where: bonds (distance) C4'-P energy: -119.783 bonds (distance) P-C4' energy: -118.914 flat angles C4'-P-C4' energy: -143.087 flat angles P-C4'-P energy: -86.355 tors. eta vs tors. theta energy: -171.669 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: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1922.069449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.069449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.069449 (E_RNA) where: Base-Base interactions energy: -1308.768 where: short stacking energy: -557.203 Base-Backbone interact. energy: 0.745 local terms energy: -614.046486 where: bonds (distance) C4'-P energy: -118.903 bonds (distance) P-C4' energy: -125.138 flat angles C4'-P-C4' energy: -135.825 flat angles P-C4'-P energy: -94.958 tors. eta vs tors. theta energy: -139.223 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: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1796.374764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.374764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.374764 (E_RNA) where: Base-Base interactions energy: -1212.053 where: short stacking energy: -534.396 Base-Backbone interact. energy: 4.340 local terms energy: -588.661281 where: bonds (distance) C4'-P energy: -122.473 bonds (distance) P-C4' energy: -120.409 flat angles C4'-P-C4' energy: -118.163 flat angles P-C4'-P energy: -72.848 tors. eta vs tors. theta energy: -154.768 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: 5, replica: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1691.157811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.157811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.157811 (E_RNA) where: Base-Base interactions energy: -1099.928 where: short stacking energy: -501.572 Base-Backbone interact. energy: -3.939 local terms energy: -587.291549 where: bonds (distance) C4'-P energy: -99.339 bonds (distance) P-C4' energy: -111.240 flat angles C4'-P-C4' energy: -130.939 flat angles P-C4'-P energy: -85.747 tors. eta vs tors. theta energy: -160.026 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: 6, replica: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1469.994725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.994725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.994725 (E_RNA) where: Base-Base interactions energy: -943.462 where: short stacking energy: -418.103 Base-Backbone interact. energy: -3.160 local terms energy: -523.372111 where: bonds (distance) C4'-P energy: -98.765 bonds (distance) P-C4' energy: -122.150 flat angles C4'-P-C4' energy: -117.147 flat angles P-C4'-P energy: -77.626 tors. eta vs tors. theta energy: -107.685 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: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1263.042268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.042268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.042268 (E_RNA) where: Base-Base interactions energy: -811.396 where: short stacking energy: -381.763 Base-Backbone interact. energy: -2.027 local terms energy: -449.618988 where: bonds (distance) C4'-P energy: -110.235 bonds (distance) P-C4' energy: -93.438 flat angles C4'-P-C4' energy: -109.340 flat angles P-C4'-P energy: -65.866 tors. eta vs tors. theta energy: -70.740 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: 8, replica: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1124.335337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.335337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.335337 (E_RNA) where: Base-Base interactions energy: -700.227 where: short stacking energy: -303.149 Base-Backbone interact. energy: 0.287 local terms energy: -424.395860 where: bonds (distance) C4'-P energy: -100.419 bonds (distance) P-C4' energy: -122.955 flat angles C4'-P-C4' energy: -86.903 flat angles P-C4'-P energy: -65.383 tors. eta vs tors. theta energy: -48.735 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: 9, replica: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -905.553082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.553082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.553082 (E_RNA) where: Base-Base interactions energy: -543.578 where: short stacking energy: -250.540 Base-Backbone interact. energy: -3.417 local terms energy: -358.558559 where: bonds (distance) C4'-P energy: -91.010 bonds (distance) P-C4' energy: -114.327 flat angles C4'-P-C4' energy: -84.864 flat angles P-C4'-P energy: -47.752 tors. eta vs tors. theta energy: -20.606 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: 3 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -693.737370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.737370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.737370 (E_RNA) where: Base-Base interactions energy: -340.656 where: short stacking energy: -190.621 Base-Backbone interact. energy: 3.376 local terms energy: -356.457672 where: bonds (distance) C4'-P energy: -94.313 bonds (distance) P-C4' energy: -97.049 flat angles C4'-P-C4' energy: -100.673 flat angles P-C4'-P energy: -63.871 tors. eta vs tors. theta energy: -0.552 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: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2180.652379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.652379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.652379 (E_RNA) where: Base-Base interactions energy: -1514.871 where: short stacking energy: -640.409 Base-Backbone interact. energy: -3.646 local terms energy: -662.135455 where: bonds (distance) C4'-P energy: -115.029 bonds (distance) P-C4' energy: -133.137 flat angles C4'-P-C4' energy: -140.019 flat angles P-C4'-P energy: -86.037 tors. eta vs tors. theta energy: -187.913 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: 2, replica: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2024.160756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.160756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.160756 (E_RNA) where: Base-Base interactions energy: -1385.321 where: short stacking energy: -606.503 Base-Backbone interact. energy: -3.092 local terms energy: -635.747227 where: bonds (distance) C4'-P energy: -117.685 bonds (distance) P-C4' energy: -111.573 flat angles C4'-P-C4' energy: -129.082 flat angles P-C4'-P energy: -94.687 tors. eta vs tors. theta energy: -182.720 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: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1865.815152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.815152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.815152 (E_RNA) where: Base-Base interactions energy: -1290.508 where: short stacking energy: -506.573 Base-Backbone interact. energy: 1.541 local terms energy: -576.849104 where: bonds (distance) C4'-P energy: -96.054 bonds (distance) P-C4' energy: -115.590 flat angles C4'-P-C4' energy: -129.686 flat angles P-C4'-P energy: -96.415 tors. eta vs tors. theta energy: -139.104 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: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1773.179859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.179859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.179859 (E_RNA) where: Base-Base interactions energy: -1181.302 where: short stacking energy: -516.314 Base-Backbone interact. energy: 1.922 local terms energy: -593.800126 where: bonds (distance) C4'-P energy: -117.102 bonds (distance) P-C4' energy: -118.204 flat angles C4'-P-C4' energy: -118.498 flat angles P-C4'-P energy: -88.988 tors. eta vs tors. theta energy: -151.008 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: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1657.664248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.664248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.664248 (E_RNA) where: Base-Base interactions energy: -1078.838 where: short stacking energy: -501.893 Base-Backbone interact. energy: 0.058 local terms energy: -578.883825 where: bonds (distance) C4'-P energy: -121.407 bonds (distance) P-C4' energy: -100.017 flat angles C4'-P-C4' energy: -125.194 flat angles P-C4'-P energy: -83.727 tors. eta vs tors. theta energy: -148.538 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: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1497.955819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.955819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.955819 (E_RNA) where: Base-Base interactions energy: -967.047 where: short stacking energy: -455.612 Base-Backbone interact. energy: -2.480 local terms energy: -528.428225 where: bonds (distance) C4'-P energy: -88.786 bonds (distance) P-C4' energy: -125.612 flat angles C4'-P-C4' energy: -119.713 flat angles P-C4'-P energy: -72.639 tors. eta vs tors. theta energy: -121.678 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: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1291.126941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.126941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.126941 (E_RNA) where: Base-Base interactions energy: -808.892 where: short stacking energy: -377.024 Base-Backbone interact. energy: 0.472 local terms energy: -482.706830 where: bonds (distance) C4'-P energy: -105.750 bonds (distance) P-C4' energy: -110.692 flat angles C4'-P-C4' energy: -116.197 flat angles P-C4'-P energy: -62.829 tors. eta vs tors. theta energy: -87.239 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: 6 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1123.043357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.043357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.043357 (E_RNA) where: Base-Base interactions energy: -690.434 where: short stacking energy: -300.781 Base-Backbone interact. energy: -1.652 local terms energy: -430.958055 where: bonds (distance) C4'-P energy: -103.697 bonds (distance) P-C4' energy: -113.508 flat angles C4'-P-C4' energy: -114.012 flat angles P-C4'-P energy: -56.125 tors. eta vs tors. theta energy: -43.616 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: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -946.961085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.961085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.961085 (E_RNA) where: Base-Base interactions energy: -573.542 where: short stacking energy: -265.653 Base-Backbone interact. energy: 3.187 local terms energy: -376.605912 where: bonds (distance) C4'-P energy: -93.234 bonds (distance) P-C4' energy: -107.546 flat angles C4'-P-C4' energy: -81.975 flat angles P-C4'-P energy: -67.665 tors. eta vs tors. theta energy: -26.185 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: 10, replica: 3 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -733.419734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.419734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.419734 (E_RNA) where: Base-Base interactions energy: -380.447 where: short stacking energy: -189.598 Base-Backbone interact. energy: 1.487 local terms energy: -354.460108 where: bonds (distance) C4'-P energy: -88.898 bonds (distance) P-C4' energy: -122.044 flat angles C4'-P-C4' energy: -75.715 flat angles P-C4'-P energy: -65.341 tors. eta vs tors. theta energy: -2.462 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: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2204.024099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.024099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.024099 (E_RNA) where: Base-Base interactions energy: -1530.004 where: short stacking energy: -637.051 Base-Backbone interact. energy: -6.734 local terms energy: -667.285976 where: bonds (distance) C4'-P energy: -118.075 bonds (distance) P-C4' energy: -105.728 flat angles C4'-P-C4' energy: -149.162 flat angles P-C4'-P energy: -103.599 tors. eta vs tors. theta energy: -190.722 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: 9 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2016.107838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.107838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.107838 (E_RNA) where: Base-Base interactions energy: -1349.459 where: short stacking energy: -627.871 Base-Backbone interact. energy: -2.380 local terms energy: -664.268780 where: bonds (distance) C4'-P energy: -117.994 bonds (distance) P-C4' energy: -119.187 flat angles C4'-P-C4' energy: -139.415 flat angles P-C4'-P energy: -102.064 tors. eta vs tors. theta energy: -185.609 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: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1922.645902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.645902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.645902 (E_RNA) where: Base-Base interactions energy: -1308.098 where: short stacking energy: -539.990 Base-Backbone interact. energy: 0.628 local terms energy: -615.175799 where: bonds (distance) C4'-P energy: -107.938 bonds (distance) P-C4' energy: -128.333 flat angles C4'-P-C4' energy: -140.451 flat angles P-C4'-P energy: -77.442 tors. eta vs tors. theta energy: -161.012 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: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1717.373363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.373363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.373363 (E_RNA) where: Base-Base interactions energy: -1125.732 where: short stacking energy: -506.762 Base-Backbone interact. energy: -2.005 local terms energy: -589.636259 where: bonds (distance) C4'-P energy: -117.644 bonds (distance) P-C4' energy: -117.361 flat angles C4'-P-C4' energy: -128.663 flat angles P-C4'-P energy: -79.276 tors. eta vs tors. theta energy: -146.693 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: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1699.251643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.251643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.251643 (E_RNA) where: Base-Base interactions energy: -1166.152 where: short stacking energy: -482.766 Base-Backbone interact. energy: -4.006 local terms energy: -529.093276 where: bonds (distance) C4'-P energy: -105.510 bonds (distance) P-C4' energy: -105.355 flat angles C4'-P-C4' energy: -100.341 flat angles P-C4'-P energy: -84.588 tors. eta vs tors. theta energy: -133.300 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: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1500.201072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.201072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.201072 (E_RNA) where: Base-Base interactions energy: -964.101 where: short stacking energy: -444.171 Base-Backbone interact. energy: -0.733 local terms energy: -535.367367 where: bonds (distance) C4'-P energy: -103.161 bonds (distance) P-C4' energy: -111.201 flat angles C4'-P-C4' energy: -124.390 flat angles P-C4'-P energy: -65.276 tors. eta vs tors. theta energy: -131.338 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: 7, replica: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1319.069737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.069737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.069737 (E_RNA) where: Base-Base interactions energy: -841.282 where: short stacking energy: -388.078 Base-Backbone interact. energy: 0.253 local terms energy: -478.040478 where: bonds (distance) C4'-P energy: -99.601 bonds (distance) P-C4' energy: -117.790 flat angles C4'-P-C4' energy: -107.092 flat angles P-C4'-P energy: -68.897 tors. eta vs tors. theta energy: -84.660 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: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1180.499008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.499008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.499008 (E_RNA) where: Base-Base interactions energy: -751.718 where: short stacking energy: -358.952 Base-Backbone interact. energy: 1.382 local terms energy: -430.163211 where: bonds (distance) C4'-P energy: -94.646 bonds (distance) P-C4' energy: -113.979 flat angles C4'-P-C4' energy: -85.838 flat angles P-C4'-P energy: -65.578 tors. eta vs tors. theta energy: -70.123 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: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -918.364673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.364673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.364673 (E_RNA) where: Base-Base interactions energy: -521.460 where: short stacking energy: -241.360 Base-Backbone interact. energy: -0.744 local terms energy: -396.160011 where: bonds (distance) C4'-P energy: -109.265 bonds (distance) P-C4' energy: -104.407 flat angles C4'-P-C4' energy: -84.292 flat angles P-C4'-P energy: -59.288 tors. eta vs tors. theta energy: -38.907 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: 3 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -771.267497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.267497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.267497 (E_RNA) where: Base-Base interactions energy: -418.793 where: short stacking energy: -215.698 Base-Backbone interact. energy: 2.506 local terms energy: -354.980975 where: bonds (distance) C4'-P energy: -99.387 bonds (distance) P-C4' energy: -107.183 flat angles C4'-P-C4' energy: -80.395 flat angles P-C4'-P energy: -50.636 tors. eta vs tors. theta energy: -17.381 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: 122 Temperature: 0.900000 Total energy: -2175.427461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.427461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.427461 (E_RNA) where: Base-Base interactions energy: -1482.172 where: short stacking energy: -605.121 Base-Backbone interact. energy: -8.318 local terms energy: -684.937316 where: bonds (distance) C4'-P energy: -133.879 bonds (distance) P-C4' energy: -128.742 flat angles C4'-P-C4' energy: -150.877 flat angles P-C4'-P energy: -91.193 tors. eta vs tors. theta energy: -180.247 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: 9 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1996.842669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.842669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.842669 (E_RNA) where: Base-Base interactions energy: -1337.425 where: short stacking energy: -577.304 Base-Backbone interact. energy: -1.621 local terms energy: -657.796618 where: bonds (distance) C4'-P energy: -135.122 bonds (distance) P-C4' energy: -115.942 flat angles C4'-P-C4' energy: -144.019 flat angles P-C4'-P energy: -88.681 tors. eta vs tors. theta energy: -174.033 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: 3, replica: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1878.166344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.166344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.166344 (E_RNA) where: Base-Base interactions energy: -1284.322 where: short stacking energy: -508.757 Base-Backbone interact. energy: -3.600 local terms energy: -590.244474 where: bonds (distance) C4'-P energy: -126.050 bonds (distance) P-C4' energy: -127.319 flat angles C4'-P-C4' energy: -126.855 flat angles P-C4'-P energy: -73.557 tors. eta vs tors. theta energy: -136.463 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: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1771.586935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.586935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.586935 (E_RNA) where: Base-Base interactions energy: -1147.709 where: short stacking energy: -504.377 Base-Backbone interact. energy: 0.096 local terms energy: -623.974453 where: bonds (distance) C4'-P energy: -119.401 bonds (distance) P-C4' energy: -127.304 flat angles C4'-P-C4' energy: -131.476 flat angles P-C4'-P energy: -95.454 tors. eta vs tors. theta energy: -150.340 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: 5, replica: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1751.046547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.046547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.046547 (E_RNA) where: Base-Base interactions energy: -1183.638 where: short stacking energy: -512.279 Base-Backbone interact. energy: 0.629 local terms energy: -568.037665 where: bonds (distance) C4'-P energy: -104.642 bonds (distance) P-C4' energy: -123.033 flat angles C4'-P-C4' energy: -122.405 flat angles P-C4'-P energy: -70.765 tors. eta vs tors. theta energy: -147.193 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: 122 Temperature: 1.150000 Total energy: -1511.291210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.291210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.291210 (E_RNA) where: Base-Base interactions energy: -973.131 where: short stacking energy: -394.668 Base-Backbone interact. energy: -1.199 local terms energy: -536.960631 where: bonds (distance) C4'-P energy: -115.894 bonds (distance) P-C4' energy: -116.263 flat angles C4'-P-C4' energy: -116.376 flat angles P-C4'-P energy: -87.410 tors. eta vs tors. theta energy: -101.018 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: 7, replica: 8 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1285.932202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.932202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.932202 (E_RNA) where: Base-Base interactions energy: -810.593 where: short stacking energy: -355.306 Base-Backbone interact. energy: 0.970 local terms energy: -476.308539 where: bonds (distance) C4'-P energy: -111.806 bonds (distance) P-C4' energy: -112.256 flat angles C4'-P-C4' energy: -100.741 flat angles P-C4'-P energy: -63.959 tors. eta vs tors. theta energy: -87.546 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: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1117.170321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.170321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.170321 (E_RNA) where: Base-Base interactions energy: -687.887 where: short stacking energy: -321.496 Base-Backbone interact. energy: -0.566 local terms energy: -428.717009 where: bonds (distance) C4'-P energy: -92.179 bonds (distance) P-C4' energy: -102.530 flat angles C4'-P-C4' energy: -112.801 flat angles P-C4'-P energy: -59.255 tors. eta vs tors. theta energy: -61.951 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: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -816.809320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.809320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.809320 (E_RNA) where: Base-Base interactions energy: -439.790 where: short stacking energy: -242.441 Base-Backbone interact. energy: -2.928 local terms energy: -374.091010 where: bonds (distance) C4'-P energy: -91.405 bonds (distance) P-C4' energy: -100.352 flat angles C4'-P-C4' energy: -84.725 flat angles P-C4'-P energy: -73.228 tors. eta vs tors. theta energy: -24.381 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: 10, replica: 3 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -737.479325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.479325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.479325 (E_RNA) where: Base-Base interactions energy: -402.899 where: short stacking energy: -215.030 Base-Backbone interact. energy: -2.148 local terms energy: -332.432543 where: bonds (distance) C4'-P energy: -89.941 bonds (distance) P-C4' energy: -107.375 flat angles C4'-P-C4' energy: -82.768 flat angles P-C4'-P energy: -47.522 tors. eta vs tors. theta energy: -4.827 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: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2190.748220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.748220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.748220 (E_RNA) where: Base-Base interactions energy: -1507.318 where: short stacking energy: -602.338 Base-Backbone interact. energy: -3.783 local terms energy: -679.647300 where: bonds (distance) C4'-P energy: -121.811 bonds (distance) P-C4' energy: -123.262 flat angles C4'-P-C4' energy: -154.461 flat angles P-C4'-P energy: -97.169 tors. eta vs tors. theta energy: -182.944 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: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1951.302600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.302600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.302600 (E_RNA) where: Base-Base interactions energy: -1345.392 where: short stacking energy: -565.410 Base-Backbone interact. energy: 2.688 local terms energy: -608.599004 where: bonds (distance) C4'-P energy: -113.237 bonds (distance) P-C4' energy: -120.942 flat angles C4'-P-C4' energy: -136.503 flat angles P-C4'-P energy: -85.073 tors. eta vs tors. theta energy: -152.844 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: 3, replica: 9 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1955.283408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.283408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.283408 (E_RNA) where: Base-Base interactions energy: -1304.915 where: short stacking energy: -570.777 Base-Backbone interact. energy: -1.363 local terms energy: -649.005772 where: bonds (distance) C4'-P energy: -130.871 bonds (distance) P-C4' energy: -113.013 flat angles C4'-P-C4' energy: -140.727 flat angles P-C4'-P energy: -86.588 tors. eta vs tors. theta energy: -177.807 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: 10 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1757.646886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.646886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.646886 (E_RNA) where: Base-Base interactions energy: -1152.393 where: short stacking energy: -524.989 Base-Backbone interact. energy: -1.775 local terms energy: -603.478468 where: bonds (distance) C4'-P energy: -122.748 bonds (distance) P-C4' energy: -122.038 flat angles C4'-P-C4' energy: -127.950 flat angles P-C4'-P energy: -80.376 tors. eta vs tors. theta energy: -150.366 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: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1663.530776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.530776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.530776 (E_RNA) where: Base-Base interactions energy: -1150.429 where: short stacking energy: -477.188 Base-Backbone interact. energy: -1.435 local terms energy: -511.666779 where: bonds (distance) C4'-P energy: -94.641 bonds (distance) P-C4' energy: -101.581 flat angles C4'-P-C4' energy: -121.215 flat angles P-C4'-P energy: -62.919 tors. eta vs tors. theta energy: -131.311 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: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1531.473516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.473516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.473516 (E_RNA) where: Base-Base interactions energy: -990.065 where: short stacking energy: -428.458 Base-Backbone interact. energy: -0.002 local terms energy: -541.406809 where: bonds (distance) C4'-P energy: -105.588 bonds (distance) P-C4' energy: -130.231 flat angles C4'-P-C4' energy: -123.946 flat angles P-C4'-P energy: -84.216 tors. eta vs tors. theta energy: -97.426 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: 8 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1354.045577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.045577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.045577 (E_RNA) where: Base-Base interactions energy: -843.865 where: short stacking energy: -401.147 Base-Backbone interact. energy: 2.351 local terms energy: -512.530875 where: bonds (distance) C4'-P energy: -104.031 bonds (distance) P-C4' energy: -115.910 flat angles C4'-P-C4' energy: -119.408 flat angles P-C4'-P energy: -77.706 tors. eta vs tors. theta energy: -95.476 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: 8, replica: 6 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1177.078859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.078859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.078859 (E_RNA) where: Base-Base interactions energy: -735.646 where: short stacking energy: -320.148 Base-Backbone interact. energy: -0.693 local terms energy: -440.739948 where: bonds (distance) C4'-P energy: -90.985 bonds (distance) P-C4' energy: -108.142 flat angles C4'-P-C4' energy: -115.304 flat angles P-C4'-P energy: -69.326 tors. eta vs tors. theta energy: -56.983 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: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -798.576710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.576710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.576710 (E_RNA) where: Base-Base interactions energy: -434.706 where: short stacking energy: -221.772 Base-Backbone interact. energy: 0.750 local terms energy: -364.619942 where: bonds (distance) C4'-P energy: -116.618 bonds (distance) P-C4' energy: -91.360 flat angles C4'-P-C4' energy: -81.167 flat angles P-C4'-P energy: -67.156 tors. eta vs tors. theta energy: -8.319 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: 10, replica: 3 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -824.852950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.852950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.852950 (E_RNA) where: Base-Base interactions energy: -445.451 where: short stacking energy: -231.653 Base-Backbone interact. energy: 0.058 local terms energy: -379.459722 where: bonds (distance) C4'-P energy: -110.428 bonds (distance) P-C4' energy: -119.068 flat angles C4'-P-C4' energy: -74.156 flat angles P-C4'-P energy: -43.727 tors. eta vs tors. theta energy: -32.081 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: 1, replica: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2160.721715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.721715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.721715 (E_RNA) where: Base-Base interactions energy: -1505.774 where: short stacking energy: -606.339 Base-Backbone interact. energy: -4.770 local terms energy: -650.177585 where: bonds (distance) C4'-P energy: -126.692 bonds (distance) P-C4' energy: -129.567 flat angles C4'-P-C4' energy: -134.615 flat angles P-C4'-P energy: -86.208 tors. eta vs tors. theta energy: -173.095 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: 4 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1930.326200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.326200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.326200 (E_RNA) where: Base-Base interactions energy: -1317.888 where: short stacking energy: -540.043 Base-Backbone interact. energy: -0.458 local terms energy: -611.980054 where: bonds (distance) C4'-P energy: -128.984 bonds (distance) P-C4' energy: -128.141 flat angles C4'-P-C4' energy: -134.200 flat angles P-C4'-P energy: -87.013 tors. eta vs tors. theta energy: -133.643 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: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1955.522539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.522539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.522539 (E_RNA) where: Base-Base interactions energy: -1318.022 where: short stacking energy: -548.227 Base-Backbone interact. energy: -6.834 local terms energy: -630.666509 where: bonds (distance) C4'-P energy: -116.659 bonds (distance) P-C4' energy: -127.469 flat angles C4'-P-C4' energy: -136.314 flat angles P-C4'-P energy: -75.887 tors. eta vs tors. theta energy: -174.337 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: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1769.520814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.520814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.520814 (E_RNA) where: Base-Base interactions energy: -1215.056 where: short stacking energy: -526.599 Base-Backbone interact. energy: -1.504 local terms energy: -552.960554 where: bonds (distance) C4'-P energy: -107.199 bonds (distance) P-C4' energy: -104.228 flat angles C4'-P-C4' energy: -127.663 flat angles P-C4'-P energy: -77.339 tors. eta vs tors. theta energy: -136.532 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: 7 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1617.979870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.979870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.979870 (E_RNA) where: Base-Base interactions energy: -1047.197 where: short stacking energy: -468.102 Base-Backbone interact. energy: 0.823 local terms energy: -571.606030 where: bonds (distance) C4'-P energy: -109.341 bonds (distance) P-C4' energy: -125.073 flat angles C4'-P-C4' energy: -138.023 flat angles P-C4'-P energy: -74.054 tors. eta vs tors. theta energy: -125.115 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: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1599.398905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.398905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.398905 (E_RNA) where: Base-Base interactions energy: -1061.995 where: short stacking energy: -454.955 Base-Backbone interact. energy: -0.859 local terms energy: -536.544801 where: bonds (distance) C4'-P energy: -102.385 bonds (distance) P-C4' energy: -111.132 flat angles C4'-P-C4' energy: -122.787 flat angles P-C4'-P energy: -85.154 tors. eta vs tors. theta energy: -115.086 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: 8 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1301.723435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.723435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.723435 (E_RNA) where: Base-Base interactions energy: -837.388 where: short stacking energy: -396.621 Base-Backbone interact. energy: -0.707 local terms energy: -463.628098 where: bonds (distance) C4'-P energy: -100.894 bonds (distance) P-C4' energy: -91.718 flat angles C4'-P-C4' energy: -126.727 flat angles P-C4'-P energy: -61.076 tors. eta vs tors. theta energy: -83.213 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: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1099.967838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.967838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.967838 (E_RNA) where: Base-Base interactions energy: -668.904 where: short stacking energy: -306.800 Base-Backbone interact. energy: -3.851 local terms energy: -427.212286 where: bonds (distance) C4'-P energy: -108.861 bonds (distance) P-C4' energy: -95.846 flat angles C4'-P-C4' energy: -117.278 flat angles P-C4'-P energy: -69.384 tors. eta vs tors. theta energy: -35.844 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: 9, replica: 3 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -851.112414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.112414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.112414 (E_RNA) where: Base-Base interactions energy: -466.343 where: short stacking energy: -233.961 Base-Backbone interact. energy: -3.681 local terms energy: -381.088704 where: bonds (distance) C4'-P energy: -101.657 bonds (distance) P-C4' energy: -95.778 flat angles C4'-P-C4' energy: -97.990 flat angles P-C4'-P energy: -65.590 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: 10, replica: 2 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -761.933317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.933317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.933317 (E_RNA) where: Base-Base interactions energy: -396.353 where: short stacking energy: -190.890 Base-Backbone interact. energy: -0.461 local terms energy: -365.119395 where: bonds (distance) C4'-P energy: -101.298 bonds (distance) P-C4' energy: -105.450 flat angles C4'-P-C4' energy: -91.368 flat angles P-C4'-P energy: -59.908 tors. eta vs tors. theta energy: -7.096 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: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2170.665217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.665217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.665217 (E_RNA) where: Base-Base interactions energy: -1490.370 where: short stacking energy: -604.875 Base-Backbone interact. energy: -3.481 local terms energy: -676.814792 where: bonds (distance) C4'-P energy: -137.912 bonds (distance) P-C4' energy: -132.436 flat angles C4'-P-C4' energy: -145.036 flat angles P-C4'-P energy: -94.921 tors. eta vs tors. theta energy: -166.510 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: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2031.973116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.973116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.973116 (E_RNA) where: Base-Base interactions energy: -1376.562 where: short stacking energy: -604.399 Base-Backbone interact. energy: -2.953 local terms energy: -652.458479 where: bonds (distance) C4'-P energy: -122.809 bonds (distance) P-C4' energy: -120.730 flat angles C4'-P-C4' energy: -141.482 flat angles P-C4'-P energy: -84.477 tors. eta vs tors. theta energy: -182.961 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: 3, replica: 4 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1902.942145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.942145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.942145 (E_RNA) where: Base-Base interactions energy: -1294.388 where: short stacking energy: -554.927 Base-Backbone interact. energy: 1.607 local terms energy: -610.161651 where: bonds (distance) C4'-P energy: -119.578 bonds (distance) P-C4' energy: -126.890 flat angles C4'-P-C4' energy: -133.677 flat angles P-C4'-P energy: -92.175 tors. eta vs tors. theta energy: -137.841 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: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1763.312431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.312431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.312431 (E_RNA) where: Base-Base interactions energy: -1192.154 where: short stacking energy: -502.914 Base-Backbone interact. energy: -3.469 local terms energy: -567.689060 where: bonds (distance) C4'-P energy: -88.392 bonds (distance) P-C4' energy: -127.464 flat angles C4'-P-C4' energy: -133.518 flat angles P-C4'-P energy: -77.727 tors. eta vs tors. theta energy: -140.588 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: 5, replica: 7 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1625.576710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.576710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.576710 (E_RNA) where: Base-Base interactions energy: -1080.754 where: short stacking energy: -460.943 Base-Backbone interact. energy: -2.031 local terms energy: -542.791708 where: bonds (distance) C4'-P energy: -107.301 bonds (distance) P-C4' energy: -122.011 flat angles C4'-P-C4' energy: -116.948 flat angles P-C4'-P energy: -74.021 tors. eta vs tors. theta energy: -122.511 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: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1549.530066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.530066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.530066 (E_RNA) where: Base-Base interactions energy: -1032.845 where: short stacking energy: -467.670 Base-Backbone interact. energy: 1.378 local terms energy: -518.062449 where: bonds (distance) C4'-P energy: -113.430 bonds (distance) P-C4' energy: -109.419 flat angles C4'-P-C4' energy: -116.089 flat angles P-C4'-P energy: -54.294 tors. eta vs tors. theta energy: -124.831 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: 7, replica: 8 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1354.911393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.911393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.911393 (E_RNA) where: Base-Base interactions energy: -901.925 where: short stacking energy: -382.088 Base-Backbone interact. energy: 1.668 local terms energy: -454.654441 where: bonds (distance) C4'-P energy: -91.898 bonds (distance) P-C4' energy: -114.640 flat angles C4'-P-C4' energy: -98.863 flat angles P-C4'-P energy: -63.416 tors. eta vs tors. theta energy: -85.836 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: 6 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1084.849475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.849475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.849475 (E_RNA) where: Base-Base interactions energy: -687.985 where: short stacking energy: -326.075 Base-Backbone interact. energy: 0.370 local terms energy: -397.234273 where: bonds (distance) C4'-P energy: -96.229 bonds (distance) P-C4' energy: -104.832 flat angles C4'-P-C4' energy: -96.016 flat angles P-C4'-P energy: -68.207 tors. eta vs tors. theta energy: -31.950 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: 3 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -864.842727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.842727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.842727 (E_RNA) where: Base-Base interactions energy: -486.767 where: short stacking energy: -243.709 Base-Backbone interact. energy: -2.007 local terms energy: -376.068679 where: bonds (distance) C4'-P energy: -90.146 bonds (distance) P-C4' energy: -104.978 flat angles C4'-P-C4' energy: -94.173 flat angles P-C4'-P energy: -64.192 tors. eta vs tors. theta energy: -22.579 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: 10, replica: 2 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -731.877468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.877468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.877468 (E_RNA) where: Base-Base interactions energy: -381.526 where: short stacking energy: -211.114 Base-Backbone interact. energy: -1.180 local terms energy: -349.170954 where: bonds (distance) C4'-P energy: -112.937 bonds (distance) P-C4' energy: -104.662 flat angles C4'-P-C4' energy: -77.729 flat angles P-C4'-P energy: -49.246 tors. eta vs tors. theta energy: -4.596 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: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2206.395349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.395349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.395349 (E_RNA) where: Base-Base interactions energy: -1534.719 where: short stacking energy: -617.358 Base-Backbone interact. energy: -3.874 local terms energy: -667.801938 where: bonds (distance) C4'-P energy: -122.818 bonds (distance) P-C4' energy: -127.437 flat angles C4'-P-C4' energy: -147.806 flat angles P-C4'-P energy: -86.863 tors. eta vs tors. theta energy: -182.877 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: 2, replica: 9 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2075.456150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.456150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.456150 (E_RNA) where: Base-Base interactions energy: -1403.642 where: short stacking energy: -590.439 Base-Backbone interact. energy: -2.255 local terms energy: -669.559243 where: bonds (distance) C4'-P energy: -116.004 bonds (distance) P-C4' energy: -134.262 flat angles C4'-P-C4' energy: -152.892 flat angles P-C4'-P energy: -87.191 tors. eta vs tors. theta energy: -179.211 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: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1873.672523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.672523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.672523 (E_RNA) where: Base-Base interactions energy: -1263.922 where: short stacking energy: -530.164 Base-Backbone interact. energy: -3.852 local terms energy: -605.898599 where: bonds (distance) C4'-P energy: -114.829 bonds (distance) P-C4' energy: -112.100 flat angles C4'-P-C4' energy: -133.761 flat angles P-C4'-P energy: -94.015 tors. eta vs tors. theta energy: -151.194 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: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1814.873055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.873055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.873055 (E_RNA) where: Base-Base interactions energy: -1213.138 where: short stacking energy: -550.462 Base-Backbone interact. energy: -2.518 local terms energy: -599.217189 where: bonds (distance) C4'-P energy: -98.985 bonds (distance) P-C4' energy: -130.776 flat angles C4'-P-C4' energy: -130.846 flat angles P-C4'-P energy: -80.394 tors. eta vs tors. theta energy: -158.215 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: 5, replica: 7 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1668.338760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.338760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.338760 (E_RNA) where: Base-Base interactions energy: -1095.410 where: short stacking energy: -481.648 Base-Backbone interact. energy: -1.327 local terms energy: -571.601556 where: bonds (distance) C4'-P energy: -103.284 bonds (distance) P-C4' energy: -128.426 flat angles C4'-P-C4' energy: -134.134 flat angles P-C4'-P energy: -77.189 tors. eta vs tors. theta energy: -128.569 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: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1531.608122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.608122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.608122 (E_RNA) where: Base-Base interactions energy: -1027.735 where: short stacking energy: -449.359 Base-Backbone interact. energy: -1.067 local terms energy: -502.805207 where: bonds (distance) C4'-P energy: -100.877 bonds (distance) P-C4' energy: -97.164 flat angles C4'-P-C4' energy: -119.306 flat angles P-C4'-P energy: -60.876 tors. eta vs tors. theta energy: -124.582 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: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1328.663813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.663813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.663813 (E_RNA) where: Base-Base interactions energy: -852.951 where: short stacking energy: -377.837 Base-Backbone interact. energy: -3.277 local terms energy: -472.436063 where: bonds (distance) C4'-P energy: -98.732 bonds (distance) P-C4' energy: -122.648 flat angles C4'-P-C4' energy: -106.921 flat angles P-C4'-P energy: -69.525 tors. eta vs tors. theta energy: -74.610 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: 8, replica: 6 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1068.712345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.712345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.712345 (E_RNA) where: Base-Base interactions energy: -665.198 where: short stacking energy: -322.193 Base-Backbone interact. energy: -2.789 local terms energy: -400.725448 where: bonds (distance) C4'-P energy: -94.565 bonds (distance) P-C4' energy: -97.764 flat angles C4'-P-C4' energy: -97.648 flat angles P-C4'-P energy: -59.905 tors. eta vs tors. theta energy: -50.843 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: 9, replica: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -883.136113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.136113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.136113 (E_RNA) where: Base-Base interactions energy: -494.377 where: short stacking energy: -253.344 Base-Backbone interact. energy: 0.070 local terms energy: -388.829429 where: bonds (distance) C4'-P energy: -98.296 bonds (distance) P-C4' energy: -104.636 flat angles C4'-P-C4' energy: -92.509 flat angles P-C4'-P energy: -59.763 tors. eta vs tors. theta energy: -33.625 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: 10, replica: 2 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -755.109325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.109325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.109325 (E_RNA) where: Base-Base interactions energy: -389.812 where: short stacking energy: -226.605 Base-Backbone interact. energy: 0.595 local terms energy: -365.892624 where: bonds (distance) C4'-P energy: -112.851 bonds (distance) P-C4' energy: -101.615 flat angles C4'-P-C4' energy: -83.232 flat angles P-C4'-P energy: -48.938 tors. eta vs tors. theta energy: -19.257 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: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2262.226328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.226328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.226328 (E_RNA) where: Base-Base interactions energy: -1584.718 where: short stacking energy: -652.181 Base-Backbone interact. energy: -3.134 local terms energy: -674.374466 where: bonds (distance) C4'-P energy: -116.831 bonds (distance) P-C4' energy: -126.806 flat angles C4'-P-C4' energy: -138.973 flat angles P-C4'-P energy: -102.631 tors. eta vs tors. theta energy: -189.134 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: 2, replica: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2040.954089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.954089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.954089 (E_RNA) where: Base-Base interactions energy: -1381.504 where: short stacking energy: -594.513 Base-Backbone interact. energy: -2.191 local terms energy: -657.259575 where: bonds (distance) C4'-P energy: -123.631 bonds (distance) P-C4' energy: -122.362 flat angles C4'-P-C4' energy: -134.615 flat angles P-C4'-P energy: -101.607 tors. eta vs tors. theta energy: -175.043 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: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1914.257506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.257506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.257506 (E_RNA) where: Base-Base interactions energy: -1298.006 where: short stacking energy: -548.245 Base-Backbone interact. energy: -0.437 local terms energy: -615.813859 where: bonds (distance) C4'-P energy: -100.673 bonds (distance) P-C4' energy: -138.687 flat angles C4'-P-C4' energy: -139.055 flat angles P-C4'-P energy: -89.806 tors. eta vs tors. theta energy: -147.594 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: 4, replica: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1828.589761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.589761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.589761 (E_RNA) where: Base-Base interactions energy: -1226.678 where: short stacking energy: -534.302 Base-Backbone interact. energy: -1.857 local terms energy: -600.054661 where: bonds (distance) C4'-P energy: -117.553 bonds (distance) P-C4' energy: -122.270 flat angles C4'-P-C4' energy: -132.373 flat angles P-C4'-P energy: -74.107 tors. eta vs tors. theta energy: -153.752 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: 5, replica: 7 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1609.826887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.826887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.826887 (E_RNA) where: Base-Base interactions energy: -1067.217 where: short stacking energy: -466.878 Base-Backbone interact. energy: 5.327 local terms energy: -547.937627 where: bonds (distance) C4'-P energy: -105.940 bonds (distance) P-C4' energy: -126.622 flat angles C4'-P-C4' energy: -130.307 flat angles P-C4'-P energy: -71.282 tors. eta vs tors. theta energy: -113.787 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: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1430.514446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.514446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.514446 (E_RNA) where: Base-Base interactions energy: -905.396 where: short stacking energy: -421.054 Base-Backbone interact. energy: -1.126 local terms energy: -523.992735 where: bonds (distance) C4'-P energy: -95.470 bonds (distance) P-C4' energy: -116.125 flat angles C4'-P-C4' energy: -114.031 flat angles P-C4'-P energy: -84.711 tors. eta vs tors. theta energy: -113.656 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: 7, replica: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1321.211528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.211528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.211528 (E_RNA) where: Base-Base interactions energy: -855.108 where: short stacking energy: -383.271 Base-Backbone interact. energy: 1.859 local terms energy: -467.962232 where: bonds (distance) C4'-P energy: -96.482 bonds (distance) P-C4' energy: -101.045 flat angles C4'-P-C4' energy: -116.590 flat angles P-C4'-P energy: -68.632 tors. eta vs tors. theta energy: -85.212 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: 8, replica: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1053.398106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.398106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.398106 (E_RNA) where: Base-Base interactions energy: -615.804 where: short stacking energy: -295.055 Base-Backbone interact. energy: -2.666 local terms energy: -434.928247 where: bonds (distance) C4'-P energy: -97.160 bonds (distance) P-C4' energy: -116.064 flat angles C4'-P-C4' energy: -105.678 flat angles P-C4'-P energy: -61.966 tors. eta vs tors. theta energy: -54.059 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: 9, replica: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -824.217590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.217590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.217590 (E_RNA) where: Base-Base interactions energy: -452.050 where: short stacking energy: -238.943 Base-Backbone interact. energy: 3.532 local terms energy: -375.699674 where: bonds (distance) C4'-P energy: -111.949 bonds (distance) P-C4' energy: -107.077 flat angles C4'-P-C4' energy: -79.350 flat angles P-C4'-P energy: -46.612 tors. eta vs tors. theta energy: -30.711 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: 2 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -730.010356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.010356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.010356 (E_RNA) where: Base-Base interactions energy: -395.176 where: short stacking energy: -203.688 Base-Backbone interact. energy: -1.048 local terms energy: -333.786507 where: bonds (distance) C4'-P energy: -105.177 bonds (distance) P-C4' energy: -109.634 flat angles C4'-P-C4' energy: -79.942 flat angles P-C4'-P energy: -31.675 tors. eta vs tors. theta energy: -7.359 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: 1, replica: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2212.015005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.015005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.015005 (E_RNA) where: Base-Base interactions energy: -1539.326 where: short stacking energy: -621.431 Base-Backbone interact. energy: 5.179 local terms energy: -677.867386 where: bonds (distance) C4'-P energy: -124.705 bonds (distance) P-C4' energy: -129.007 flat angles C4'-P-C4' energy: -147.827 flat angles P-C4'-P energy: -96.678 tors. eta vs tors. theta energy: -179.650 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: 2, replica: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2033.897314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.897314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.897314 (E_RNA) where: Base-Base interactions energy: -1379.576 where: short stacking energy: -597.062 Base-Backbone interact. energy: -3.833 local terms energy: -650.488389 where: bonds (distance) C4'-P energy: -114.739 bonds (distance) P-C4' energy: -99.826 flat angles C4'-P-C4' energy: -160.946 flat angles P-C4'-P energy: -102.526 tors. eta vs tors. theta energy: -172.451 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: 3, replica: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1869.282326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.282326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.282326 (E_RNA) where: Base-Base interactions energy: -1282.165 where: short stacking energy: -520.382 Base-Backbone interact. energy: -1.182 local terms energy: -585.935528 where: bonds (distance) C4'-P energy: -115.250 bonds (distance) P-C4' energy: -121.661 flat angles C4'-P-C4' energy: -132.208 flat angles P-C4'-P energy: -77.090 tors. eta vs tors. theta energy: -139.727 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: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1821.926335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.926335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.926335 (E_RNA) where: Base-Base interactions energy: -1236.266 where: short stacking energy: -566.500 Base-Backbone interact. energy: 0.757 local terms energy: -586.417282 where: bonds (distance) C4'-P energy: -114.391 bonds (distance) P-C4' energy: -118.417 flat angles C4'-P-C4' energy: -128.531 flat angles P-C4'-P energy: -84.774 tors. eta vs tors. theta energy: -140.304 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: 5, replica: 7 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1579.303701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.303701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.303701 (E_RNA) where: Base-Base interactions energy: -1051.176 where: short stacking energy: -465.105 Base-Backbone interact. energy: -0.198 local terms energy: -527.929696 where: bonds (distance) C4'-P energy: -101.190 bonds (distance) P-C4' energy: -104.804 flat angles C4'-P-C4' energy: -125.378 flat angles P-C4'-P energy: -83.397 tors. eta vs tors. theta energy: -113.161 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: 6, replica: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1466.360368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.360368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.360368 (E_RNA) where: Base-Base interactions energy: -925.229 where: short stacking energy: -431.612 Base-Backbone interact. energy: -3.259 local terms energy: -537.872782 where: bonds (distance) C4'-P energy: -112.598 bonds (distance) P-C4' energy: -118.275 flat angles C4'-P-C4' energy: -117.324 flat angles P-C4'-P energy: -66.259 tors. eta vs tors. theta energy: -123.417 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: 7, replica: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1353.974563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.974563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.974563 (E_RNA) where: Base-Base interactions energy: -868.228 where: short stacking energy: -391.599 Base-Backbone interact. energy: -2.661 local terms energy: -483.086007 where: bonds (distance) C4'-P energy: -115.259 bonds (distance) P-C4' energy: -114.394 flat angles C4'-P-C4' energy: -116.374 flat angles P-C4'-P energy: -62.221 tors. eta vs tors. theta energy: -74.838 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: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1134.853563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.853563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.853563 (E_RNA) where: Base-Base interactions energy: -692.156 where: short stacking energy: -314.346 Base-Backbone interact. energy: -1.283 local terms energy: -441.415376 where: bonds (distance) C4'-P energy: -119.570 bonds (distance) P-C4' energy: -104.535 flat angles C4'-P-C4' energy: -104.608 flat angles P-C4'-P energy: -52.000 tors. eta vs tors. theta energy: -60.702 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: 9, replica: 3 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -813.322014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.322014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.322014 (E_RNA) where: Base-Base interactions energy: -456.741 where: short stacking energy: -256.572 Base-Backbone interact. energy: 2.439 local terms energy: -359.019705 where: bonds (distance) C4'-P energy: -90.185 bonds (distance) P-C4' energy: -91.947 flat angles C4'-P-C4' energy: -111.900 flat angles P-C4'-P energy: -55.383 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: 2 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -711.304795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.304795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.304795 (E_RNA) where: Base-Base interactions energy: -360.712 where: short stacking energy: -195.195 Base-Backbone interact. energy: 3.717 local terms energy: -354.309959 where: bonds (distance) C4'-P energy: -104.644 bonds (distance) P-C4' energy: -86.308 flat angles C4'-P-C4' energy: -102.563 flat angles P-C4'-P energy: -63.436 tors. eta vs tors. theta energy: 2.640 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: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2260.870884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.870884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.870884 (E_RNA) where: Base-Base interactions energy: -1553.883 where: short stacking energy: -619.943 Base-Backbone interact. energy: -4.766 local terms energy: -702.222028 where: bonds (distance) C4'-P energy: -124.748 bonds (distance) P-C4' energy: -130.919 flat angles C4'-P-C4' energy: -155.648 flat angles P-C4'-P energy: -103.003 tors. eta vs tors. theta energy: -187.903 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: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2036.596787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.596787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.596787 (E_RNA) where: Base-Base interactions energy: -1386.191 where: short stacking energy: -608.881 Base-Backbone interact. energy: -3.729 local terms energy: -646.676755 where: bonds (distance) C4'-P energy: -115.788 bonds (distance) P-C4' energy: -124.768 flat angles C4'-P-C4' energy: -131.692 flat angles P-C4'-P energy: -89.570 tors. eta vs tors. theta energy: -184.858 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: 3, replica: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1875.646944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.646944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.646944 (E_RNA) where: Base-Base interactions energy: -1275.821 where: short stacking energy: -526.235 Base-Backbone interact. energy: 2.095 local terms energy: -601.921630 where: bonds (distance) C4'-P energy: -103.962 bonds (distance) P-C4' energy: -131.372 flat angles C4'-P-C4' energy: -135.305 flat angles P-C4'-P energy: -86.995 tors. eta vs tors. theta energy: -144.287 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: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1851.934148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.934148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.934148 (E_RNA) where: Base-Base interactions energy: -1228.098 where: short stacking energy: -537.201 Base-Backbone interact. energy: -2.661 local terms energy: -621.175279 where: bonds (distance) C4'-P energy: -107.806 bonds (distance) P-C4' energy: -135.807 flat angles C4'-P-C4' energy: -130.765 flat angles P-C4'-P energy: -90.192 tors. eta vs tors. theta energy: -156.606 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: 7 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1656.215573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.215573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.215573 (E_RNA) where: Base-Base interactions energy: -1079.697 where: short stacking energy: -478.971 Base-Backbone interact. energy: 1.853 local terms energy: -578.371364 where: bonds (distance) C4'-P energy: -112.587 bonds (distance) P-C4' energy: -119.446 flat angles C4'-P-C4' energy: -123.231 flat angles P-C4'-P energy: -80.962 tors. eta vs tors. theta energy: -142.146 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: 6, replica: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1410.260678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.260678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.260678 (E_RNA) where: Base-Base interactions energy: -883.139 where: short stacking energy: -406.591 Base-Backbone interact. energy: -1.778 local terms energy: -525.343282 where: bonds (distance) C4'-P energy: -111.868 bonds (distance) P-C4' energy: -111.265 flat angles C4'-P-C4' energy: -121.871 flat angles P-C4'-P energy: -82.726 tors. eta vs tors. theta energy: -97.614 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: 7, replica: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1274.247058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.247058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.247058 (E_RNA) where: Base-Base interactions energy: -807.898 where: short stacking energy: -363.756 Base-Backbone interact. energy: -3.040 local terms energy: -463.309176 where: bonds (distance) C4'-P energy: -110.719 bonds (distance) P-C4' energy: -103.815 flat angles C4'-P-C4' energy: -103.003 flat angles P-C4'-P energy: -73.808 tors. eta vs tors. theta energy: -71.964 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: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1131.040990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.040990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.040990 (E_RNA) where: Base-Base interactions energy: -708.300 where: short stacking energy: -323.104 Base-Backbone interact. energy: -1.829 local terms energy: -420.912096 where: bonds (distance) C4'-P energy: -103.025 bonds (distance) P-C4' energy: -98.311 flat angles C4'-P-C4' energy: -107.098 flat angles P-C4'-P energy: -57.684 tors. eta vs tors. theta energy: -54.794 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: 9, replica: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -811.797016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.797016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.797016 (E_RNA) where: Base-Base interactions energy: -457.818 where: short stacking energy: -243.553 Base-Backbone interact. energy: 5.836 local terms energy: -359.814947 where: bonds (distance) C4'-P energy: -101.075 bonds (distance) P-C4' energy: -103.038 flat angles C4'-P-C4' energy: -77.637 flat angles P-C4'-P energy: -56.776 tors. eta vs tors. theta energy: -21.289 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: 2 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -663.123986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.123986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.123986 (E_RNA) where: Base-Base interactions energy: -321.465 where: short stacking energy: -198.166 Base-Backbone interact. energy: 4.885 local terms energy: -346.543411 where: bonds (distance) C4'-P energy: -103.886 bonds (distance) P-C4' energy: -101.557 flat angles C4'-P-C4' energy: -88.515 flat angles P-C4'-P energy: -44.588 tors. eta vs tors. theta energy: -7.997 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: 1, replica: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2227.991156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.991156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.991156 (E_RNA) where: Base-Base interactions energy: -1555.038 where: short stacking energy: -632.784 Base-Backbone interact. energy: -2.802 local terms energy: -670.151440 where: bonds (distance) C4'-P energy: -127.956 bonds (distance) P-C4' energy: -116.149 flat angles C4'-P-C4' energy: -145.445 flat angles P-C4'-P energy: -97.328 tors. eta vs tors. theta energy: -183.272 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: 2, replica: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2020.070521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.070521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.070521 (E_RNA) where: Base-Base interactions energy: -1347.365 where: short stacking energy: -602.715 Base-Backbone interact. energy: -3.762 local terms energy: -668.943212 where: bonds (distance) C4'-P energy: -129.616 bonds (distance) P-C4' energy: -120.634 flat angles C4'-P-C4' energy: -147.375 flat angles P-C4'-P energy: -91.655 tors. eta vs tors. theta energy: -179.663 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: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1889.912760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.912760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.912760 (E_RNA) where: Base-Base interactions energy: -1284.064 where: short stacking energy: -538.558 Base-Backbone interact. energy: -2.072 local terms energy: -603.777653 where: bonds (distance) C4'-P energy: -115.824 bonds (distance) P-C4' energy: -117.062 flat angles C4'-P-C4' energy: -129.969 flat angles P-C4'-P energy: -90.413 tors. eta vs tors. theta energy: -150.510 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: 4, replica: 10 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1807.086291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.086291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.086291 (E_RNA) where: Base-Base interactions energy: -1208.650 where: short stacking energy: -536.255 Base-Backbone interact. energy: -5.938 local terms energy: -592.498423 where: bonds (distance) C4'-P energy: -114.337 bonds (distance) P-C4' energy: -116.102 flat angles C4'-P-C4' energy: -138.377 flat angles P-C4'-P energy: -74.353 tors. eta vs tors. theta energy: -149.330 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: 7 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1645.426432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.426432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.426432 (E_RNA) where: Base-Base interactions energy: -1089.448 where: short stacking energy: -486.836 Base-Backbone interact. energy: 1.002 local terms energy: -556.981231 where: bonds (distance) C4'-P energy: -108.204 bonds (distance) P-C4' energy: -112.663 flat angles C4'-P-C4' energy: -123.762 flat angles P-C4'-P energy: -83.095 tors. eta vs tors. theta energy: -129.258 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: 6, replica: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1526.649758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.649758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.649758 (E_RNA) where: Base-Base interactions energy: -976.279 where: short stacking energy: -435.329 Base-Backbone interact. energy: -2.260 local terms energy: -548.110496 where: bonds (distance) C4'-P energy: -116.818 bonds (distance) P-C4' energy: -124.814 flat angles C4'-P-C4' energy: -118.676 flat angles P-C4'-P energy: -75.628 tors. eta vs tors. theta energy: -112.175 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: 8 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1313.265004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.265004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.265004 (E_RNA) where: Base-Base interactions energy: -856.679 where: short stacking energy: -401.460 Base-Backbone interact. energy: 0.300 local terms energy: -456.886663 where: bonds (distance) C4'-P energy: -104.782 bonds (distance) P-C4' energy: -85.630 flat angles C4'-P-C4' energy: -109.962 flat angles P-C4'-P energy: -67.665 tors. eta vs tors. theta energy: -88.847 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: 8, replica: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1099.992756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.992756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.992756 (E_RNA) where: Base-Base interactions energy: -696.769 where: short stacking energy: -339.993 Base-Backbone interact. energy: 0.839 local terms energy: -404.063284 where: bonds (distance) C4'-P energy: -104.705 bonds (distance) P-C4' energy: -82.808 flat angles C4'-P-C4' energy: -104.345 flat angles P-C4'-P energy: -50.236 tors. eta vs tors. theta energy: -61.970 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: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -868.121390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.121390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.121390 (E_RNA) where: Base-Base interactions energy: -485.668 where: short stacking energy: -251.606 Base-Backbone interact. energy: 1.132 local terms energy: -383.585410 where: bonds (distance) C4'-P energy: -91.479 bonds (distance) P-C4' energy: -111.207 flat angles C4'-P-C4' energy: -100.852 flat angles P-C4'-P energy: -55.951 tors. eta vs tors. theta energy: -24.096 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: 2 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -684.759885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.759885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.759885 (E_RNA) where: Base-Base interactions energy: -373.054 where: short stacking energy: -214.893 Base-Backbone interact. energy: 10.470 local terms energy: -322.176101 where: bonds (distance) C4'-P energy: -94.421 bonds (distance) P-C4' energy: -99.508 flat angles C4'-P-C4' energy: -71.828 flat angles P-C4'-P energy: -53.124 tors. eta vs tors. theta energy: -3.295 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: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2228.965478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.965478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.965478 (E_RNA) where: Base-Base interactions energy: -1580.428 where: short stacking energy: -643.755 Base-Backbone interact. energy: -6.660 local terms energy: -641.877462 where: bonds (distance) C4'-P energy: -110.447 bonds (distance) P-C4' energy: -120.457 flat angles C4'-P-C4' energy: -133.458 flat angles P-C4'-P energy: -86.731 tors. eta vs tors. theta energy: -190.785 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: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2043.967076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.967076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.967076 (E_RNA) where: Base-Base interactions energy: -1388.359 where: short stacking energy: -601.683 Base-Backbone interact. energy: -2.528 local terms energy: -653.080853 where: bonds (distance) C4'-P energy: -123.895 bonds (distance) P-C4' energy: -116.336 flat angles C4'-P-C4' energy: -129.035 flat angles P-C4'-P energy: -98.962 tors. eta vs tors. theta energy: -184.853 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: 3, replica: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1848.525185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.525185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.525185 (E_RNA) where: Base-Base interactions energy: -1250.542 where: short stacking energy: -529.223 Base-Backbone interact. energy: -1.106 local terms energy: -596.877506 where: bonds (distance) C4'-P energy: -110.765 bonds (distance) P-C4' energy: -123.262 flat angles C4'-P-C4' energy: -134.091 flat angles P-C4'-P energy: -95.366 tors. eta vs tors. theta energy: -133.394 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: 4, replica: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1839.688797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.688797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.688797 (E_RNA) where: Base-Base interactions energy: -1228.527 where: short stacking energy: -568.491 Base-Backbone interact. energy: -3.030 local terms energy: -608.130953 where: bonds (distance) C4'-P energy: -114.648 bonds (distance) P-C4' energy: -100.081 flat angles C4'-P-C4' energy: -136.509 flat angles P-C4'-P energy: -92.101 tors. eta vs tors. theta energy: -164.792 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: 7 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1620.958994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.958994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.958994 (E_RNA) where: Base-Base interactions energy: -1050.491 where: short stacking energy: -493.115 Base-Backbone interact. energy: -2.427 local terms energy: -568.040723 where: bonds (distance) C4'-P energy: -105.951 bonds (distance) P-C4' energy: -118.847 flat angles C4'-P-C4' energy: -130.889 flat angles P-C4'-P energy: -87.585 tors. eta vs tors. theta energy: -124.769 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: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1503.312546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.312546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.312546 (E_RNA) where: Base-Base interactions energy: -999.745 where: short stacking energy: -432.686 Base-Backbone interact. energy: -1.390 local terms energy: -502.176603 where: bonds (distance) C4'-P energy: -99.810 bonds (distance) P-C4' energy: -100.052 flat angles C4'-P-C4' energy: -123.862 flat angles P-C4'-P energy: -63.193 tors. eta vs tors. theta energy: -115.260 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: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1254.582619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.582619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.582619 (E_RNA) where: Base-Base interactions energy: -793.399 where: short stacking energy: -370.930 Base-Backbone interact. energy: 2.662 local terms energy: -463.846163 where: bonds (distance) C4'-P energy: -124.858 bonds (distance) P-C4' energy: -90.857 flat angles C4'-P-C4' energy: -107.612 flat angles P-C4'-P energy: -61.699 tors. eta vs tors. theta energy: -78.821 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: 8, replica: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1117.232607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.232607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.232607 (E_RNA) where: Base-Base interactions energy: -698.027 where: short stacking energy: -326.956 Base-Backbone interact. energy: -2.891 local terms energy: -416.314001 where: bonds (distance) C4'-P energy: -105.452 bonds (distance) P-C4' energy: -98.784 flat angles C4'-P-C4' energy: -109.614 flat angles P-C4'-P energy: -61.576 tors. eta vs tors. theta energy: -40.888 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: 9, replica: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -850.099722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.099722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.099722 (E_RNA) where: Base-Base interactions energy: -479.589 where: short stacking energy: -238.811 Base-Backbone interact. energy: -1.185 local terms energy: -369.325878 where: bonds (distance) C4'-P energy: -108.969 bonds (distance) P-C4' energy: -87.342 flat angles C4'-P-C4' energy: -102.521 flat angles P-C4'-P energy: -52.141 tors. eta vs tors. theta energy: -18.353 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: 10, replica: 2 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -757.047609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.047609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.047609 (E_RNA) where: Base-Base interactions energy: -427.706 where: short stacking energy: -219.847 Base-Backbone interact. energy: -2.908 local terms energy: -326.433549 where: bonds (distance) C4'-P energy: -100.995 bonds (distance) P-C4' energy: -91.777 flat angles C4'-P-C4' energy: -69.750 flat angles P-C4'-P energy: -55.074 tors. eta vs tors. theta energy: -8.838 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: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2212.816337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.816337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.816337 (E_RNA) where: Base-Base interactions energy: -1546.986 where: short stacking energy: -612.692 Base-Backbone interact. energy: -3.718 local terms energy: -662.111786 where: bonds (distance) C4'-P energy: -133.093 bonds (distance) P-C4' energy: -129.502 flat angles C4'-P-C4' energy: -137.761 flat angles P-C4'-P energy: -90.761 tors. eta vs tors. theta energy: -170.994 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: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2036.742511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.742511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.742511 (E_RNA) where: Base-Base interactions energy: -1362.900 where: short stacking energy: -594.417 Base-Backbone interact. energy: -4.713 local terms energy: -669.129635 where: bonds (distance) C4'-P energy: -121.625 bonds (distance) P-C4' energy: -129.397 flat angles C4'-P-C4' energy: -140.635 flat angles P-C4'-P energy: -93.376 tors. eta vs tors. theta energy: -184.096 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: 3, replica: 10 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1877.997046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.997046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.997046 (E_RNA) where: Base-Base interactions energy: -1262.236 where: short stacking energy: -610.320 Base-Backbone interact. energy: -1.911 local terms energy: -613.850585 where: bonds (distance) C4'-P energy: -115.854 bonds (distance) P-C4' energy: -119.281 flat angles C4'-P-C4' energy: -139.438 flat angles P-C4'-P energy: -73.954 tors. eta vs tors. theta energy: -165.323 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: 4, replica: 4 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1836.854888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.854888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.854888 (E_RNA) where: Base-Base interactions energy: -1277.104 where: short stacking energy: -529.469 Base-Backbone interact. energy: -3.391 local terms energy: -556.360019 where: bonds (distance) C4'-P energy: -105.005 bonds (distance) P-C4' energy: -112.182 flat angles C4'-P-C4' energy: -126.364 flat angles P-C4'-P energy: -80.915 tors. eta vs tors. theta energy: -131.893 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: 7 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1646.656250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.656250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.656250 (E_RNA) where: Base-Base interactions energy: -1080.679 where: short stacking energy: -510.438 Base-Backbone interact. energy: -2.886 local terms energy: -563.091681 where: bonds (distance) C4'-P energy: -106.625 bonds (distance) P-C4' energy: -112.289 flat angles C4'-P-C4' energy: -135.988 flat angles P-C4'-P energy: -73.669 tors. eta vs tors. theta energy: -134.521 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: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1520.474241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.474241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.474241 (E_RNA) where: Base-Base interactions energy: -1013.054 where: short stacking energy: -451.554 Base-Backbone interact. energy: 8.399 local terms energy: -515.818815 where: bonds (distance) C4'-P energy: -99.751 bonds (distance) P-C4' energy: -101.259 flat angles C4'-P-C4' energy: -109.936 flat angles P-C4'-P energy: -91.400 tors. eta vs tors. theta energy: -113.473 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: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1287.422381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.422381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.422381 (E_RNA) where: Base-Base interactions energy: -795.041 where: short stacking energy: -345.395 Base-Backbone interact. energy: 0.437 local terms energy: -492.818007 where: bonds (distance) C4'-P energy: -117.942 bonds (distance) P-C4' energy: -121.917 flat angles C4'-P-C4' energy: -122.050 flat angles P-C4'-P energy: -71.778 tors. eta vs tors. theta energy: -59.131 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: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1138.323471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.323471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.323471 (E_RNA) where: Base-Base interactions energy: -727.184 where: short stacking energy: -333.242 Base-Backbone interact. energy: 0.760 local terms energy: -411.899251 where: bonds (distance) C4'-P energy: -100.908 bonds (distance) P-C4' energy: -90.732 flat angles C4'-P-C4' energy: -113.525 flat angles P-C4'-P energy: -51.723 tors. eta vs tors. theta energy: -55.011 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: 9, replica: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -788.535474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.535474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.535474 (E_RNA) where: Base-Base interactions energy: -457.215 where: short stacking energy: -219.734 Base-Backbone interact. energy: 4.277 local terms energy: -335.597632 where: bonds (distance) C4'-P energy: -99.488 bonds (distance) P-C4' energy: -79.305 flat angles C4'-P-C4' energy: -82.545 flat angles P-C4'-P energy: -61.762 tors. eta vs tors. theta energy: -12.497 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: 10, replica: 2 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -783.351741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.351741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.351741 (E_RNA) where: Base-Base interactions energy: -416.263 where: short stacking energy: -200.195 Base-Backbone interact. energy: 5.568 local terms energy: -372.656675 where: bonds (distance) C4'-P energy: -92.491 bonds (distance) P-C4' energy: -115.534 flat angles C4'-P-C4' energy: -97.831 flat angles P-C4'-P energy: -64.413 tors. eta vs tors. theta energy: -2.388 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: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2237.655162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.655162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.655162 (E_RNA) where: Base-Base interactions energy: -1557.504 where: short stacking energy: -639.779 Base-Backbone interact. energy: -0.085 local terms energy: -680.066809 where: bonds (distance) C4'-P energy: -123.839 bonds (distance) P-C4' energy: -125.686 flat angles C4'-P-C4' energy: -152.992 flat angles P-C4'-P energy: -91.796 tors. eta vs tors. theta energy: -185.754 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: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2045.303912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.303912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.303912 (E_RNA) where: Base-Base interactions energy: -1393.067 where: short stacking energy: -610.000 Base-Backbone interact. energy: -3.747 local terms energy: -648.490305 where: bonds (distance) C4'-P energy: -126.002 bonds (distance) P-C4' energy: -117.174 flat angles C4'-P-C4' energy: -130.285 flat angles P-C4'-P energy: -93.306 tors. eta vs tors. theta energy: -181.724 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: 3, replica: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1912.982701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.982701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.982701 (E_RNA) where: Base-Base interactions energy: -1277.032 where: short stacking energy: -563.119 Base-Backbone interact. energy: -3.131 local terms energy: -632.819313 where: bonds (distance) C4'-P energy: -133.695 bonds (distance) P-C4' energy: -111.925 flat angles C4'-P-C4' energy: -130.715 flat angles P-C4'-P energy: -96.163 tors. eta vs tors. theta energy: -160.321 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: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1813.663253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.663253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.663253 (E_RNA) where: Base-Base interactions energy: -1241.940 where: short stacking energy: -523.888 Base-Backbone interact. energy: -4.171 local terms energy: -567.551811 where: bonds (distance) C4'-P energy: -103.818 bonds (distance) P-C4' energy: -123.302 flat angles C4'-P-C4' energy: -125.936 flat angles P-C4'-P energy: -77.674 tors. eta vs tors. theta energy: -136.822 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: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1704.653636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.653636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.653636 (E_RNA) where: Base-Base interactions energy: -1121.632 where: short stacking energy: -512.596 Base-Backbone interact. energy: -2.131 local terms energy: -580.890155 where: bonds (distance) C4'-P energy: -97.604 bonds (distance) P-C4' energy: -112.630 flat angles C4'-P-C4' energy: -124.415 flat angles P-C4'-P energy: -92.800 tors. eta vs tors. theta energy: -153.440 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: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1536.591684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.591684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.591684 (E_RNA) where: Base-Base interactions energy: -993.677 where: short stacking energy: -440.150 Base-Backbone interact. energy: -0.339 local terms energy: -542.575344 where: bonds (distance) C4'-P energy: -108.747 bonds (distance) P-C4' energy: -117.887 flat angles C4'-P-C4' energy: -135.014 flat angles P-C4'-P energy: -82.055 tors. eta vs tors. theta energy: -98.873 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: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1247.617893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.617893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.617893 (E_RNA) where: Base-Base interactions energy: -763.411 where: short stacking energy: -358.863 Base-Backbone interact. energy: -0.953 local terms energy: -483.253877 where: bonds (distance) C4'-P energy: -110.718 bonds (distance) P-C4' energy: -114.003 flat angles C4'-P-C4' energy: -103.228 flat angles P-C4'-P energy: -83.195 tors. eta vs tors. theta energy: -72.110 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: 8, replica: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1112.447490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.447490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.447490 (E_RNA) where: Base-Base interactions energy: -679.016 where: short stacking energy: -322.431 Base-Backbone interact. energy: 0.120 local terms energy: -433.551221 where: bonds (distance) C4'-P energy: -107.486 bonds (distance) P-C4' energy: -117.048 flat angles C4'-P-C4' energy: -98.036 flat angles P-C4'-P energy: -55.251 tors. eta vs tors. theta energy: -55.730 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: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -872.442021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.442021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.442021 (E_RNA) where: Base-Base interactions energy: -460.495 where: short stacking energy: -241.788 Base-Backbone interact. energy: 2.042 local terms energy: -413.988863 where: bonds (distance) C4'-P energy: -112.854 bonds (distance) P-C4' energy: -102.176 flat angles C4'-P-C4' energy: -105.146 flat angles P-C4'-P energy: -72.209 tors. eta vs tors. theta energy: -21.604 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: 2 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -789.486050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.486050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.486050 (E_RNA) where: Base-Base interactions energy: -446.896 where: short stacking energy: -236.909 Base-Backbone interact. energy: -3.126 local terms energy: -339.463919 where: bonds (distance) C4'-P energy: -76.014 bonds (distance) P-C4' energy: -89.567 flat angles C4'-P-C4' energy: -97.015 flat angles P-C4'-P energy: -55.695 tors. eta vs tors. theta energy: -21.172 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: 1, replica: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2230.158174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.158174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.158174 (E_RNA) where: Base-Base interactions energy: -1551.089 where: short stacking energy: -632.288 Base-Backbone interact. energy: -4.590 local terms energy: -674.479893 where: bonds (distance) C4'-P energy: -121.266 bonds (distance) P-C4' energy: -132.909 flat angles C4'-P-C4' energy: -138.278 flat angles P-C4'-P energy: -94.504 tors. eta vs tors. theta energy: -187.523 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: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2054.462968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.462968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.462968 (E_RNA) where: Base-Base interactions energy: -1420.104 where: short stacking energy: -615.641 Base-Backbone interact. energy: -4.140 local terms energy: -630.218906 where: bonds (distance) C4'-P energy: -115.257 bonds (distance) P-C4' energy: -113.441 flat angles C4'-P-C4' energy: -133.333 flat angles P-C4'-P energy: -93.619 tors. eta vs tors. theta energy: -174.568 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: 3, replica: 10 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1920.982586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.982586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.982586 (E_RNA) where: Base-Base interactions energy: -1295.942 where: short stacking energy: -595.996 Base-Backbone interact. energy: 1.133 local terms energy: -626.173287 where: bonds (distance) C4'-P energy: -94.619 bonds (distance) P-C4' energy: -122.215 flat angles C4'-P-C4' energy: -136.599 flat angles P-C4'-P energy: -94.719 tors. eta vs tors. theta energy: -178.022 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: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1785.994708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.994708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.994708 (E_RNA) where: Base-Base interactions energy: -1208.929 where: short stacking energy: -514.096 Base-Backbone interact. energy: -2.248 local terms energy: -574.817787 where: bonds (distance) C4'-P energy: -114.413 bonds (distance) P-C4' energy: -118.554 flat angles C4'-P-C4' energy: -126.814 flat angles P-C4'-P energy: -84.250 tors. eta vs tors. theta energy: -130.786 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: 5, replica: 7 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1691.660850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.660850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.660850 (E_RNA) where: Base-Base interactions energy: -1105.494 where: short stacking energy: -505.447 Base-Backbone interact. energy: -2.322 local terms energy: -583.844906 where: bonds (distance) C4'-P energy: -111.608 bonds (distance) P-C4' energy: -120.259 flat angles C4'-P-C4' energy: -127.996 flat angles P-C4'-P energy: -74.216 tors. eta vs tors. theta energy: -149.767 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: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1523.653648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.653648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.653648 (E_RNA) where: Base-Base interactions energy: -1004.640 where: short stacking energy: -431.660 Base-Backbone interact. energy: 0.937 local terms energy: -519.950949 where: bonds (distance) C4'-P energy: -103.157 bonds (distance) P-C4' energy: -99.969 flat angles C4'-P-C4' energy: -113.611 flat angles P-C4'-P energy: -93.174 tors. eta vs tors. theta energy: -110.040 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: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1221.412634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.412634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.412634 (E_RNA) where: Base-Base interactions energy: -756.688 where: short stacking energy: -353.211 Base-Backbone interact. energy: -1.215 local terms energy: -463.509699 where: bonds (distance) C4'-P energy: -99.908 bonds (distance) P-C4' energy: -106.091 flat angles C4'-P-C4' energy: -115.264 flat angles P-C4'-P energy: -71.409 tors. eta vs tors. theta energy: -70.837 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: 8, replica: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1109.258601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.258601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.258601 (E_RNA) where: Base-Base interactions energy: -651.213 where: short stacking energy: -279.280 Base-Backbone interact. energy: 0.549 local terms energy: -458.594653 where: bonds (distance) C4'-P energy: -115.762 bonds (distance) P-C4' energy: -118.392 flat angles C4'-P-C4' energy: -108.319 flat angles P-C4'-P energy: -71.460 tors. eta vs tors. theta energy: -44.661 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: 9, replica: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -800.052389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.052389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.052389 (E_RNA) where: Base-Base interactions energy: -432.454 where: short stacking energy: -201.176 Base-Backbone interact. energy: -4.657 local terms energy: -362.941308 where: bonds (distance) C4'-P energy: -93.214 bonds (distance) P-C4' energy: -106.265 flat angles C4'-P-C4' energy: -85.504 flat angles P-C4'-P energy: -65.394 tors. eta vs tors. theta energy: -12.565 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: 10, replica: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -808.064929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.064929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.064929 (E_RNA) where: Base-Base interactions energy: -437.080 where: short stacking energy: -240.829 Base-Backbone interact. energy: -0.163 local terms energy: -370.822718 where: bonds (distance) C4'-P energy: -80.394 bonds (distance) P-C4' energy: -104.770 flat angles C4'-P-C4' energy: -95.640 flat angles P-C4'-P energy: -56.281 tors. eta vs tors. theta energy: -33.738 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: 1, replica: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2210.822666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.822666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.822666 (E_RNA) where: Base-Base interactions energy: -1558.673 where: short stacking energy: -613.396 Base-Backbone interact. energy: -2.730 local terms energy: -649.420600 where: bonds (distance) C4'-P energy: -101.704 bonds (distance) P-C4' energy: -130.908 flat angles C4'-P-C4' energy: -141.652 flat angles P-C4'-P energy: -90.463 tors. eta vs tors. theta energy: -184.694 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: 2, replica: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2039.530034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.530034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.530034 (E_RNA) where: Base-Base interactions energy: -1395.478 where: short stacking energy: -608.732 Base-Backbone interact. energy: -4.462 local terms energy: -639.589405 where: bonds (distance) C4'-P energy: -123.703 bonds (distance) P-C4' energy: -100.721 flat angles C4'-P-C4' energy: -137.843 flat angles P-C4'-P energy: -94.100 tors. eta vs tors. theta energy: -183.222 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: 3, replica: 10 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1960.870390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.870390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.870390 (E_RNA) where: Base-Base interactions energy: -1302.946 where: short stacking energy: -589.937 Base-Backbone interact. energy: -3.476 local terms energy: -654.448693 where: bonds (distance) C4'-P energy: -122.610 bonds (distance) P-C4' energy: -113.995 flat angles C4'-P-C4' energy: -146.182 flat angles P-C4'-P energy: -90.639 tors. eta vs tors. theta energy: -181.023 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: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1827.121414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.121414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.121414 (E_RNA) where: Base-Base interactions energy: -1244.934 where: short stacking energy: -521.747 Base-Backbone interact. energy: 1.666 local terms energy: -583.853450 where: bonds (distance) C4'-P energy: -117.944 bonds (distance) P-C4' energy: -118.735 flat angles C4'-P-C4' energy: -123.739 flat angles P-C4'-P energy: -93.818 tors. eta vs tors. theta energy: -129.617 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: 7 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1660.200790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.200790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.200790 (E_RNA) where: Base-Base interactions energy: -1116.165 where: short stacking energy: -485.760 Base-Backbone interact. energy: -1.503 local terms energy: -542.533107 where: bonds (distance) C4'-P energy: -95.324 bonds (distance) P-C4' energy: -115.234 flat angles C4'-P-C4' energy: -111.676 flat angles P-C4'-P energy: -92.075 tors. eta vs tors. theta energy: -128.224 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: 5 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1572.484766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.484766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.484766 (E_RNA) where: Base-Base interactions energy: -1025.431 where: short stacking energy: -442.904 Base-Backbone interact. energy: -1.534 local terms energy: -545.520082 where: bonds (distance) C4'-P energy: -118.933 bonds (distance) P-C4' energy: -108.598 flat angles C4'-P-C4' energy: -117.298 flat angles P-C4'-P energy: -80.299 tors. eta vs tors. theta energy: -120.393 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: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1278.188159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.188159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.188159 (E_RNA) where: Base-Base interactions energy: -830.259 where: short stacking energy: -359.863 Base-Backbone interact. energy: -0.064 local terms energy: -447.865352 where: bonds (distance) C4'-P energy: -86.963 bonds (distance) P-C4' energy: -117.197 flat angles C4'-P-C4' energy: -110.799 flat angles P-C4'-P energy: -63.149 tors. eta vs tors. theta energy: -69.757 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: 6 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1156.552290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.552290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.552290 (E_RNA) where: Base-Base interactions energy: -730.589 where: short stacking energy: -308.329 Base-Backbone interact. energy: 0.043 local terms energy: -426.006582 where: bonds (distance) C4'-P energy: -112.437 bonds (distance) P-C4' energy: -106.014 flat angles C4'-P-C4' energy: -102.567 flat angles P-C4'-P energy: -64.793 tors. eta vs tors. theta energy: -40.195 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: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -843.527427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.527427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.527427 (E_RNA) where: Base-Base interactions energy: -454.967 where: short stacking energy: -226.989 Base-Backbone interact. energy: 9.161 local terms energy: -397.721587 where: bonds (distance) C4'-P energy: -115.389 bonds (distance) P-C4' energy: -115.038 flat angles C4'-P-C4' energy: -106.300 flat angles P-C4'-P energy: -51.398 tors. eta vs tors. theta energy: -9.596 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: 10, replica: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -786.319714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.319714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.319714 (E_RNA) where: Base-Base interactions energy: -407.270 where: short stacking energy: -234.275 Base-Backbone interact. energy: 2.066 local terms energy: -381.115291 where: bonds (distance) C4'-P energy: -102.702 bonds (distance) P-C4' energy: -103.389 flat angles C4'-P-C4' energy: -97.646 flat angles P-C4'-P energy: -42.568 tors. eta vs tors. theta energy: -34.810 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: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2216.014334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.014334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.014334 (E_RNA) where: Base-Base interactions energy: -1539.857 where: short stacking energy: -619.183 Base-Backbone interact. energy: -6.527 local terms energy: -669.629909 where: bonds (distance) C4'-P energy: -123.938 bonds (distance) P-C4' energy: -112.390 flat angles C4'-P-C4' energy: -153.815 flat angles P-C4'-P energy: -86.349 tors. eta vs tors. theta energy: -193.137 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: 2, replica: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2053.614326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.614326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.614326 (E_RNA) where: Base-Base interactions energy: -1397.397 where: short stacking energy: -608.590 Base-Backbone interact. energy: -0.709 local terms energy: -655.508143 where: bonds (distance) C4'-P energy: -114.425 bonds (distance) P-C4' energy: -136.112 flat angles C4'-P-C4' energy: -145.645 flat angles P-C4'-P energy: -85.006 tors. eta vs tors. theta energy: -174.320 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: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1957.055583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.055583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.055583 (E_RNA) where: Base-Base interactions energy: -1349.487 where: short stacking energy: -585.939 Base-Backbone interact. energy: -3.038 local terms energy: -604.530264 where: bonds (distance) C4'-P energy: -106.099 bonds (distance) P-C4' energy: -109.014 flat angles C4'-P-C4' energy: -136.697 flat angles P-C4'-P energy: -81.260 tors. eta vs tors. theta energy: -171.461 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: 4 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1824.212785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.212785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.212785 (E_RNA) where: Base-Base interactions energy: -1253.751 where: short stacking energy: -506.778 Base-Backbone interact. energy: -3.197 local terms energy: -567.265287 where: bonds (distance) C4'-P energy: -118.737 bonds (distance) P-C4' energy: -107.847 flat angles C4'-P-C4' energy: -125.080 flat angles P-C4'-P energy: -74.268 tors. eta vs tors. theta energy: -141.333 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: 5, replica: 7 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1608.601327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.601327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.601327 (E_RNA) where: Base-Base interactions energy: -1059.430 where: short stacking energy: -475.072 Base-Backbone interact. energy: -0.483 local terms energy: -548.687579 where: bonds (distance) C4'-P energy: -110.135 bonds (distance) P-C4' energy: -103.446 flat angles C4'-P-C4' energy: -135.281 flat angles P-C4'-P energy: -87.398 tors. eta vs tors. theta energy: -112.427 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: 6, replica: 5 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1500.191996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.191996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.191996 (E_RNA) where: Base-Base interactions energy: -994.535 where: short stacking energy: -436.373 Base-Backbone interact. energy: 1.389 local terms energy: -507.045501 where: bonds (distance) C4'-P energy: -111.067 bonds (distance) P-C4' energy: -114.595 flat angles C4'-P-C4' energy: -106.461 flat angles P-C4'-P energy: -74.178 tors. eta vs tors. theta energy: -100.744 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: 8 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1266.095023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.095023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.095023 (E_RNA) where: Base-Base interactions energy: -822.692 where: short stacking energy: -393.571 Base-Backbone interact. energy: 1.788 local terms energy: -445.190129 where: bonds (distance) C4'-P energy: -95.423 bonds (distance) P-C4' energy: -94.913 flat angles C4'-P-C4' energy: -118.274 flat angles P-C4'-P energy: -67.701 tors. eta vs tors. theta energy: -68.878 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: 8, replica: 6 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1209.623820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.623820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.623820 (E_RNA) where: Base-Base interactions energy: -770.286 where: short stacking energy: -336.857 Base-Backbone interact. energy: 1.722 local terms energy: -441.059356 where: bonds (distance) C4'-P energy: -108.693 bonds (distance) P-C4' energy: -101.534 flat angles C4'-P-C4' energy: -109.555 flat angles P-C4'-P energy: -63.120 tors. eta vs tors. theta energy: -58.157 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: 3 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -831.850681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.850681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.850681 (E_RNA) where: Base-Base interactions energy: -436.001 where: short stacking energy: -223.854 Base-Backbone interact. energy: -0.700 local terms energy: -395.150012 where: bonds (distance) C4'-P energy: -95.176 bonds (distance) P-C4' energy: -111.199 flat angles C4'-P-C4' energy: -115.980 flat angles P-C4'-P energy: -44.735 tors. eta vs tors. theta energy: -28.060 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: 10, replica: 2 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -802.887732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.887732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.887732 (E_RNA) where: Base-Base interactions energy: -442.776 where: short stacking energy: -209.793 Base-Backbone interact. energy: -0.719 local terms energy: -359.392324 where: bonds (distance) C4'-P energy: -97.623 bonds (distance) P-C4' energy: -95.707 flat angles C4'-P-C4' energy: -100.542 flat angles P-C4'-P energy: -56.553 tors. eta vs tors. theta energy: -8.968 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: 137 Temperature: 0.900000 Total energy: -2228.067556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.067556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.067556 (E_RNA) where: Base-Base interactions energy: -1555.825 where: short stacking energy: -631.246 Base-Backbone interact. energy: -0.162 local terms energy: -672.080741 where: bonds (distance) C4'-P energy: -127.187 bonds (distance) P-C4' energy: -122.732 flat angles C4'-P-C4' energy: -140.070 flat angles P-C4'-P energy: -93.558 tors. eta vs tors. theta energy: -188.534 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: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2004.859326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.859326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.859326 (E_RNA) where: Base-Base interactions energy: -1364.002 where: short stacking energy: -573.900 Base-Backbone interact. energy: -2.009 local terms energy: -638.847993 where: bonds (distance) C4'-P energy: -132.202 bonds (distance) P-C4' energy: -114.838 flat angles C4'-P-C4' energy: -137.147 flat angles P-C4'-P energy: -91.140 tors. eta vs tors. theta energy: -163.521 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: 3, replica: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1967.411919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.411919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.411919 (E_RNA) where: Base-Base interactions energy: -1339.520 where: short stacking energy: -601.802 Base-Backbone interact. energy: -5.774 local terms energy: -622.117173 where: bonds (distance) C4'-P energy: -108.695 bonds (distance) P-C4' energy: -122.986 flat angles C4'-P-C4' energy: -138.799 flat angles P-C4'-P energy: -76.227 tors. eta vs tors. theta energy: -175.410 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: 4, replica: 4 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1806.501327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.501327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.501327 (E_RNA) where: Base-Base interactions energy: -1238.468 where: short stacking energy: -492.953 Base-Backbone interact. energy: -0.134 local terms energy: -567.899299 where: bonds (distance) C4'-P energy: -121.240 bonds (distance) P-C4' energy: -107.499 flat angles C4'-P-C4' energy: -125.033 flat angles P-C4'-P energy: -88.982 tors. eta vs tors. theta energy: -125.144 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: 5, replica: 7 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1637.113420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.113420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.113420 (E_RNA) where: Base-Base interactions energy: -1094.098 where: short stacking energy: -486.698 Base-Backbone interact. energy: 4.299 local terms energy: -547.314330 where: bonds (distance) C4'-P energy: -110.022 bonds (distance) P-C4' energy: -108.624 flat angles C4'-P-C4' energy: -120.704 flat angles P-C4'-P energy: -70.702 tors. eta vs tors. theta energy: -137.262 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: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1538.886583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.886583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.886583 (E_RNA) where: Base-Base interactions energy: -1004.912 where: short stacking energy: -433.510 Base-Backbone interact. energy: -3.032 local terms energy: -530.942930 where: bonds (distance) C4'-P energy: -105.694 bonds (distance) P-C4' energy: -115.735 flat angles C4'-P-C4' energy: -133.505 flat angles P-C4'-P energy: -65.210 tors. eta vs tors. theta energy: -110.800 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: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1298.883259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.883259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.883259 (E_RNA) where: Base-Base interactions energy: -834.264 where: short stacking energy: -345.316 Base-Backbone interact. energy: 2.295 local terms energy: -466.914357 where: bonds (distance) C4'-P energy: -111.752 bonds (distance) P-C4' energy: -116.702 flat angles C4'-P-C4' energy: -101.779 flat angles P-C4'-P energy: -65.599 tors. eta vs tors. theta energy: -71.083 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: 8, replica: 6 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1208.398592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.398592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.398592 (E_RNA) where: Base-Base interactions energy: -758.976 where: short stacking energy: -327.198 Base-Backbone interact. energy: -3.379 local terms energy: -446.043425 where: bonds (distance) C4'-P energy: -102.738 bonds (distance) P-C4' energy: -105.969 flat angles C4'-P-C4' energy: -100.785 flat angles P-C4'-P energy: -70.299 tors. eta vs tors. theta energy: -66.252 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: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -813.415029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.415029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.415029 (E_RNA) where: Base-Base interactions energy: -461.444 where: short stacking energy: -214.923 Base-Backbone interact. energy: -3.643 local terms energy: -348.328157 where: bonds (distance) C4'-P energy: -92.147 bonds (distance) P-C4' energy: -112.450 flat angles C4'-P-C4' energy: -89.672 flat angles P-C4'-P energy: -36.749 tors. eta vs tors. theta energy: -17.309 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: 10, replica: 2 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -813.228133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.228133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.228133 (E_RNA) where: Base-Base interactions energy: -456.796 where: short stacking energy: -234.855 Base-Backbone interact. energy: -0.654 local terms energy: -355.778385 where: bonds (distance) C4'-P energy: -90.106 bonds (distance) P-C4' energy: -94.182 flat angles C4'-P-C4' energy: -92.168 flat angles P-C4'-P energy: -55.717 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: 1, replica: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2212.194819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.194819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.194819 (E_RNA) where: Base-Base interactions energy: -1532.072 where: short stacking energy: -615.783 Base-Backbone interact. energy: -3.244 local terms energy: -676.878958 where: bonds (distance) C4'-P energy: -129.653 bonds (distance) P-C4' energy: -130.994 flat angles C4'-P-C4' energy: -145.533 flat angles P-C4'-P energy: -93.108 tors. eta vs tors. theta energy: -177.591 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: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2020.229617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.229617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.229617 (E_RNA) where: Base-Base interactions energy: -1359.895 where: short stacking energy: -592.443 Base-Backbone interact. energy: -1.405 local terms energy: -658.930081 where: bonds (distance) C4'-P energy: -124.692 bonds (distance) P-C4' energy: -114.034 flat angles C4'-P-C4' energy: -148.556 flat angles P-C4'-P energy: -91.460 tors. eta vs tors. theta energy: -180.188 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: 3, replica: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1963.051304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.051304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.051304 (E_RNA) where: Base-Base interactions energy: -1355.435 where: short stacking energy: -587.292 Base-Backbone interact. energy: -4.551 local terms energy: -603.065706 where: bonds (distance) C4'-P energy: -104.944 bonds (distance) P-C4' energy: -110.281 flat angles C4'-P-C4' energy: -136.218 flat angles P-C4'-P energy: -78.929 tors. eta vs tors. theta energy: -172.693 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: 4 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1833.758111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.758111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.758111 (E_RNA) where: Base-Base interactions energy: -1268.861 where: short stacking energy: -507.816 Base-Backbone interact. energy: -4.483 local terms energy: -560.413773 where: bonds (distance) C4'-P energy: -104.201 bonds (distance) P-C4' energy: -122.244 flat angles C4'-P-C4' energy: -129.160 flat angles P-C4'-P energy: -68.101 tors. eta vs tors. theta energy: -136.708 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: 5, replica: 7 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1689.818786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.818786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.818786 (E_RNA) where: Base-Base interactions energy: -1106.882 where: short stacking energy: -497.409 Base-Backbone interact. energy: 1.877 local terms energy: -584.813092 where: bonds (distance) C4'-P energy: -102.113 bonds (distance) P-C4' energy: -121.827 flat angles C4'-P-C4' energy: -132.775 flat angles P-C4'-P energy: -100.111 tors. eta vs tors. theta energy: -127.988 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: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1543.864419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.864419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.864419 (E_RNA) where: Base-Base interactions energy: -1005.579 where: short stacking energy: -423.201 Base-Backbone interact. energy: 0.142 local terms energy: -538.427620 where: bonds (distance) C4'-P energy: -119.352 bonds (distance) P-C4' energy: -105.288 flat angles C4'-P-C4' energy: -117.303 flat angles P-C4'-P energy: -85.501 tors. eta vs tors. theta energy: -110.985 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: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1324.855125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.855125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.855125 (E_RNA) where: Base-Base interactions energy: -856.325 where: short stacking energy: -358.313 Base-Backbone interact. energy: -0.522 local terms energy: -468.008429 where: bonds (distance) C4'-P energy: -98.532 bonds (distance) P-C4' energy: -114.629 flat angles C4'-P-C4' energy: -112.277 flat angles P-C4'-P energy: -67.524 tors. eta vs tors. theta energy: -75.046 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: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1297.814581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.814581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.814581 (E_RNA) where: Base-Base interactions energy: -863.585 where: short stacking energy: -363.836 Base-Backbone interact. energy: -1.247 local terms energy: -432.982295 where: bonds (distance) C4'-P energy: -98.863 bonds (distance) P-C4' energy: -104.223 flat angles C4'-P-C4' energy: -98.898 flat angles P-C4'-P energy: -51.688 tors. eta vs tors. theta energy: -79.310 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: 9, replica: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -860.726454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.726454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.726454 (E_RNA) where: Base-Base interactions energy: -487.287 where: short stacking energy: -255.954 Base-Backbone interact. energy: -0.613 local terms energy: -372.826467 where: bonds (distance) C4'-P energy: -93.621 bonds (distance) P-C4' energy: -94.676 flat angles C4'-P-C4' energy: -87.291 flat angles P-C4'-P energy: -70.156 tors. eta vs tors. theta energy: -27.083 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: 10, replica: 3 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -800.233632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.233632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.233632 (E_RNA) where: Base-Base interactions energy: -435.828 where: short stacking energy: -237.922 Base-Backbone interact. energy: 3.798 local terms energy: -368.203544 where: bonds (distance) C4'-P energy: -99.489 bonds (distance) P-C4' energy: -102.513 flat angles C4'-P-C4' energy: -91.147 flat angles P-C4'-P energy: -56.276 tors. eta vs tors. theta energy: -18.779 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: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2232.577734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.577734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.577734 (E_RNA) where: Base-Base interactions energy: -1524.280 where: short stacking energy: -609.228 Base-Backbone interact. energy: -1.678 local terms energy: -706.619327 where: bonds (distance) C4'-P energy: -133.143 bonds (distance) P-C4' energy: -140.318 flat angles C4'-P-C4' energy: -150.498 flat angles P-C4'-P energy: -98.431 tors. eta vs tors. theta energy: -184.229 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: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2003.477760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.477760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.477760 (E_RNA) where: Base-Base interactions energy: -1362.428 where: short stacking energy: -584.935 Base-Backbone interact. energy: -2.518 local terms energy: -638.531617 where: bonds (distance) C4'-P energy: -131.649 bonds (distance) P-C4' energy: -117.446 flat angles C4'-P-C4' energy: -138.305 flat angles P-C4'-P energy: -86.300 tors. eta vs tors. theta energy: -164.833 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: 3, replica: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1920.938193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.938193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.938193 (E_RNA) where: Base-Base interactions energy: -1280.674 where: short stacking energy: -579.152 Base-Backbone interact. energy: -3.481 local terms energy: -636.783422 where: bonds (distance) C4'-P energy: -128.952 bonds (distance) P-C4' energy: -132.294 flat angles C4'-P-C4' energy: -119.289 flat angles P-C4'-P energy: -84.144 tors. eta vs tors. theta energy: -172.105 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: 4, replica: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1865.196466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.196466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.196466 (E_RNA) where: Base-Base interactions energy: -1274.730 where: short stacking energy: -519.132 Base-Backbone interact. energy: -2.748 local terms energy: -587.718218 where: bonds (distance) C4'-P energy: -116.091 bonds (distance) P-C4' energy: -125.288 flat angles C4'-P-C4' energy: -126.850 flat angles P-C4'-P energy: -75.168 tors. eta vs tors. theta energy: -144.321 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: 5, replica: 7 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1677.139313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.139313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.139313 (E_RNA) where: Base-Base interactions energy: -1132.491 where: short stacking energy: -474.299 Base-Backbone interact. energy: -1.095 local terms energy: -543.553210 where: bonds (distance) C4'-P energy: -98.466 bonds (distance) P-C4' energy: -123.296 flat angles C4'-P-C4' energy: -118.102 flat angles P-C4'-P energy: -74.740 tors. eta vs tors. theta energy: -128.949 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: 5 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1568.818114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.818114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.818114 (E_RNA) where: Base-Base interactions energy: -1018.138 where: short stacking energy: -441.650 Base-Backbone interact. energy: -3.256 local terms energy: -547.424394 where: bonds (distance) C4'-P energy: -96.503 bonds (distance) P-C4' energy: -119.315 flat angles C4'-P-C4' energy: -123.991 flat angles P-C4'-P energy: -93.966 tors. eta vs tors. theta energy: -113.649 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: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1358.930455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.930455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.930455 (E_RNA) where: Base-Base interactions energy: -851.736 where: short stacking energy: -390.162 Base-Backbone interact. energy: -2.345 local terms energy: -504.848795 where: bonds (distance) C4'-P energy: -118.512 bonds (distance) P-C4' energy: -121.078 flat angles C4'-P-C4' energy: -109.094 flat angles P-C4'-P energy: -61.943 tors. eta vs tors. theta energy: -94.223 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: 8, replica: 6 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1320.221542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.221542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.221542 (E_RNA) where: Base-Base interactions energy: -862.951 where: short stacking energy: -368.507 Base-Backbone interact. energy: -0.102 local terms energy: -457.168442 where: bonds (distance) C4'-P energy: -97.790 bonds (distance) P-C4' energy: -115.142 flat angles C4'-P-C4' energy: -112.898 flat angles P-C4'-P energy: -67.864 tors. eta vs tors. theta energy: -63.474 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: 9, replica: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -852.266528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.266528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.266528 (E_RNA) where: Base-Base interactions energy: -469.212 where: short stacking energy: -237.118 Base-Backbone interact. energy: 3.311 local terms energy: -386.365298 where: bonds (distance) C4'-P energy: -109.963 bonds (distance) P-C4' energy: -105.929 flat angles C4'-P-C4' energy: -92.911 flat angles P-C4'-P energy: -61.622 tors. eta vs tors. theta energy: -15.939 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: 3 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -773.870572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.870572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.870572 (E_RNA) where: Base-Base interactions energy: -425.985 where: short stacking energy: -214.871 Base-Backbone interact. energy: 1.942 local terms energy: -349.828413 where: bonds (distance) C4'-P energy: -97.105 bonds (distance) P-C4' energy: -95.482 flat angles C4'-P-C4' energy: -89.803 flat angles P-C4'-P energy: -65.334 tors. eta vs tors. theta energy: -2.105 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: 1, replica: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2223.222549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.222549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.222549 (E_RNA) where: Base-Base interactions energy: -1572.582 where: short stacking energy: -631.288 Base-Backbone interact. energy: -3.930 local terms energy: -646.710392 where: bonds (distance) C4'-P energy: -125.512 bonds (distance) P-C4' energy: -119.894 flat angles C4'-P-C4' energy: -142.562 flat angles P-C4'-P energy: -78.338 tors. eta vs tors. theta energy: -180.404 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: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2015.747819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.747819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.747819 (E_RNA) where: Base-Base interactions energy: -1364.386 where: short stacking energy: -588.160 Base-Backbone interact. energy: -0.791 local terms energy: -650.570971 where: bonds (distance) C4'-P energy: -132.918 bonds (distance) P-C4' energy: -129.521 flat angles C4'-P-C4' energy: -133.156 flat angles P-C4'-P energy: -74.695 tors. eta vs tors. theta energy: -180.281 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: 10 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1937.256313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.256313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.256313 (E_RNA) where: Base-Base interactions energy: -1281.564 where: short stacking energy: -590.841 Base-Backbone interact. energy: -3.870 local terms energy: -651.821358 where: bonds (distance) C4'-P energy: -137.810 bonds (distance) P-C4' energy: -121.192 flat angles C4'-P-C4' energy: -138.194 flat angles P-C4'-P energy: -79.904 tors. eta vs tors. theta energy: -174.722 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: 4, replica: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1845.063733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.063733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.063733 (E_RNA) where: Base-Base interactions energy: -1246.991 where: short stacking energy: -519.923 Base-Backbone interact. energy: -1.665 local terms energy: -596.407943 where: bonds (distance) C4'-P energy: -106.252 bonds (distance) P-C4' energy: -114.902 flat angles C4'-P-C4' energy: -139.886 flat angles P-C4'-P energy: -89.866 tors. eta vs tors. theta energy: -145.502 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: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1662.568655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.568655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.568655 (E_RNA) where: Base-Base interactions energy: -1115.508 where: short stacking energy: -484.266 Base-Backbone interact. energy: -0.592 local terms energy: -546.468132 where: bonds (distance) C4'-P energy: -104.573 bonds (distance) P-C4' energy: -111.897 flat angles C4'-P-C4' energy: -127.480 flat angles P-C4'-P energy: -86.584 tors. eta vs tors. theta energy: -115.934 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: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1520.331364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.331364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.331364 (E_RNA) where: Base-Base interactions energy: -1010.306 where: short stacking energy: -426.457 Base-Backbone interact. energy: -3.065 local terms energy: -506.961122 where: bonds (distance) C4'-P energy: -115.793 bonds (distance) P-C4' energy: -104.109 flat angles C4'-P-C4' energy: -108.030 flat angles P-C4'-P energy: -77.120 tors. eta vs tors. theta energy: -101.909 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: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1332.018339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.018339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.018339 (E_RNA) where: Base-Base interactions energy: -878.207 where: short stacking energy: -372.356 Base-Backbone interact. energy: -4.422 local terms energy: -449.389242 where: bonds (distance) C4'-P energy: -86.748 bonds (distance) P-C4' energy: -109.161 flat angles C4'-P-C4' energy: -109.834 flat angles P-C4'-P energy: -71.158 tors. eta vs tors. theta energy: -72.489 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: 140 Temperature: 1.250000 Total energy: -1315.198567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.198567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.198567 (E_RNA) where: Base-Base interactions energy: -873.589 where: short stacking energy: -371.697 Base-Backbone interact. energy: -1.504 local terms energy: -440.105808 where: bonds (distance) C4'-P energy: -106.430 bonds (distance) P-C4' energy: -105.124 flat angles C4'-P-C4' energy: -96.746 flat angles P-C4'-P energy: -61.087 tors. eta vs tors. theta energy: -70.719 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: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -856.669052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.669052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.669052 (E_RNA) where: Base-Base interactions energy: -477.095 where: short stacking energy: -253.705 Base-Backbone interact. energy: 1.587 local terms energy: -381.161188 where: bonds (distance) C4'-P energy: -97.258 bonds (distance) P-C4' energy: -94.703 flat angles C4'-P-C4' energy: -102.277 flat angles P-C4'-P energy: -63.944 tors. eta vs tors. theta energy: -22.979 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: 10, replica: 3 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -754.385656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.385656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.385656 (E_RNA) where: Base-Base interactions energy: -378.074 where: short stacking energy: -202.446 Base-Backbone interact. energy: 0.009 local terms energy: -376.320530 where: bonds (distance) C4'-P energy: -94.180 bonds (distance) P-C4' energy: -112.624 flat angles C4'-P-C4' energy: -97.593 flat angles P-C4'-P energy: -61.403 tors. eta vs tors. theta energy: -10.520 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: 1, replica: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2221.019307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.019307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.019307 (E_RNA) where: Base-Base interactions energy: -1573.252 where: short stacking energy: -617.278 Base-Backbone interact. energy: -1.791 local terms energy: -645.976639 where: bonds (distance) C4'-P energy: -122.223 bonds (distance) P-C4' energy: -116.979 flat angles C4'-P-C4' energy: -149.353 flat angles P-C4'-P energy: -79.110 tors. eta vs tors. theta energy: -178.311 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: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2008.530140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.530140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.530140 (E_RNA) where: Base-Base interactions energy: -1360.057 where: short stacking energy: -568.802 Base-Backbone interact. energy: -4.568 local terms energy: -643.904823 where: bonds (distance) C4'-P energy: -125.504 bonds (distance) P-C4' energy: -129.117 flat angles C4'-P-C4' energy: -139.384 flat angles P-C4'-P energy: -80.558 tors. eta vs tors. theta energy: -169.342 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: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1914.531284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.531284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.531284 (E_RNA) where: Base-Base interactions energy: -1294.830 where: short stacking energy: -568.487 Base-Backbone interact. energy: -2.791 local terms energy: -616.910155 where: bonds (distance) C4'-P energy: -135.761 bonds (distance) P-C4' energy: -128.407 flat angles C4'-P-C4' energy: -134.452 flat angles P-C4'-P energy: -76.695 tors. eta vs tors. theta energy: -141.594 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: 4, replica: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1843.417363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.417363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.417363 (E_RNA) where: Base-Base interactions energy: -1273.469 where: short stacking energy: -529.443 Base-Backbone interact. energy: -4.809 local terms energy: -565.139239 where: bonds (distance) C4'-P energy: -113.237 bonds (distance) P-C4' energy: -106.922 flat angles C4'-P-C4' energy: -115.334 flat angles P-C4'-P energy: -84.408 tors. eta vs tors. theta energy: -145.239 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: 5, replica: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1698.730572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.730572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.730572 (E_RNA) where: Base-Base interactions energy: -1145.064 where: short stacking energy: -479.729 Base-Backbone interact. energy: -1.963 local terms energy: -551.702926 where: bonds (distance) C4'-P energy: -106.666 bonds (distance) P-C4' energy: -118.051 flat angles C4'-P-C4' energy: -125.147 flat angles P-C4'-P energy: -73.715 tors. eta vs tors. theta energy: -128.124 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: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1453.560468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.560468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.560468 (E_RNA) where: Base-Base interactions energy: -944.755 where: short stacking energy: -405.642 Base-Backbone interact. energy: -1.065 local terms energy: -507.740512 where: bonds (distance) C4'-P energy: -99.950 bonds (distance) P-C4' energy: -108.912 flat angles C4'-P-C4' energy: -121.454 flat angles P-C4'-P energy: -75.000 tors. eta vs tors. theta energy: -102.424 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: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1421.677301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.677301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.677301 (E_RNA) where: Base-Base interactions energy: -953.044 where: short stacking energy: -408.094 Base-Backbone interact. energy: -0.897 local terms energy: -467.735957 where: bonds (distance) C4'-P energy: -75.176 bonds (distance) P-C4' energy: -107.051 flat angles C4'-P-C4' energy: -110.632 flat angles P-C4'-P energy: -73.957 tors. eta vs tors. theta energy: -100.920 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: 8, replica: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1276.868668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.868668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.868668 (E_RNA) where: Base-Base interactions energy: -798.046 where: short stacking energy: -375.408 Base-Backbone interact. energy: -0.714 local terms energy: -478.108354 where: bonds (distance) C4'-P energy: -89.429 bonds (distance) P-C4' energy: -122.739 flat angles C4'-P-C4' energy: -106.766 flat angles P-C4'-P energy: -76.485 tors. eta vs tors. theta energy: -82.689 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: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -878.011184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.011184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.011184 (E_RNA) where: Base-Base interactions energy: -474.738 where: short stacking energy: -252.909 Base-Backbone interact. energy: 2.811 local terms energy: -406.084664 where: bonds (distance) C4'-P energy: -102.013 bonds (distance) P-C4' energy: -97.577 flat angles C4'-P-C4' energy: -122.254 flat angles P-C4'-P energy: -59.775 tors. eta vs tors. theta energy: -24.465 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: 3 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -702.552402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.552402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.552402 (E_RNA) where: Base-Base interactions energy: -330.798 where: short stacking energy: -183.635 Base-Backbone interact. energy: -3.461 local terms energy: -368.293900 where: bonds (distance) C4'-P energy: -109.936 bonds (distance) P-C4' energy: -96.046 flat angles C4'-P-C4' energy: -88.057 flat angles P-C4'-P energy: -57.184 tors. eta vs tors. theta energy: -17.071 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: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2222.944730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.944730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.944730 (E_RNA) where: Base-Base interactions energy: -1566.727 where: short stacking energy: -629.841 Base-Backbone interact. energy: -2.677 local terms energy: -653.541312 where: bonds (distance) C4'-P energy: -120.215 bonds (distance) P-C4' energy: -130.619 flat angles C4'-P-C4' energy: -138.823 flat angles P-C4'-P energy: -85.792 tors. eta vs tors. theta energy: -178.093 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: 2, replica: 9 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1965.563948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.563948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.563948 (E_RNA) where: Base-Base interactions energy: -1336.940 where: short stacking energy: -587.120 Base-Backbone interact. energy: -0.778 local terms energy: -627.846407 where: bonds (distance) C4'-P energy: -133.799 bonds (distance) P-C4' energy: -119.801 flat angles C4'-P-C4' energy: -126.764 flat angles P-C4'-P energy: -86.657 tors. eta vs tors. theta energy: -160.826 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: 142 Temperature: 1.000000 Total energy: -1912.918218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.918218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.918218 (E_RNA) where: Base-Base interactions energy: -1310.349 where: short stacking energy: -583.038 Base-Backbone interact. energy: -1.760 local terms energy: -600.808882 where: bonds (distance) C4'-P energy: -127.661 bonds (distance) P-C4' energy: -105.261 flat angles C4'-P-C4' energy: -126.590 flat angles P-C4'-P energy: -86.679 tors. eta vs tors. theta energy: -154.619 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: 4, replica: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1806.285480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.285480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.285480 (E_RNA) where: Base-Base interactions energy: -1236.986 where: short stacking energy: -528.104 Base-Backbone interact. energy: -3.347 local terms energy: -565.951613 where: bonds (distance) C4'-P energy: -102.291 bonds (distance) P-C4' energy: -128.708 flat angles C4'-P-C4' energy: -113.596 flat angles P-C4'-P energy: -85.125 tors. eta vs tors. theta energy: -136.231 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: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1660.353850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.353850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.353850 (E_RNA) where: Base-Base interactions energy: -1114.174 where: short stacking energy: -483.688 Base-Backbone interact. energy: -1.705 local terms energy: -544.475369 where: bonds (distance) C4'-P energy: -107.556 bonds (distance) P-C4' energy: -118.697 flat angles C4'-P-C4' energy: -120.039 flat angles P-C4'-P energy: -76.988 tors. eta vs tors. theta energy: -121.196 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: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1440.601310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.601310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.601310 (E_RNA) where: Base-Base interactions energy: -933.858 where: short stacking energy: -385.789 Base-Backbone interact. energy: -1.292 local terms energy: -505.451871 where: bonds (distance) C4'-P energy: -101.621 bonds (distance) P-C4' energy: -108.295 flat angles C4'-P-C4' energy: -116.170 flat angles P-C4'-P energy: -88.333 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: 7, replica: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1426.801408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.801408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.801408 (E_RNA) where: Base-Base interactions energy: -923.633 where: short stacking energy: -420.231 Base-Backbone interact. energy: 3.234 local terms energy: -506.402687 where: bonds (distance) C4'-P energy: -107.442 bonds (distance) P-C4' energy: -118.497 flat angles C4'-P-C4' energy: -119.414 flat angles P-C4'-P energy: -59.133 tors. eta vs tors. theta energy: -101.916 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: 8, replica: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1215.315633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.315633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.315633 (E_RNA) where: Base-Base interactions energy: -789.568 where: short stacking energy: -352.828 Base-Backbone interact. energy: -0.335 local terms energy: -425.412183 where: bonds (distance) C4'-P energy: -98.138 bonds (distance) P-C4' energy: -106.614 flat angles C4'-P-C4' energy: -104.462 flat angles P-C4'-P energy: -61.071 tors. eta vs tors. theta energy: -55.128 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: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -837.600283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.600283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.600283 (E_RNA) where: Base-Base interactions energy: -449.850 where: short stacking energy: -214.706 Base-Backbone interact. energy: -1.509 local terms energy: -386.240933 where: bonds (distance) C4'-P energy: -108.759 bonds (distance) P-C4' energy: -109.224 flat angles C4'-P-C4' energy: -89.970 flat angles P-C4'-P energy: -61.209 tors. eta vs tors. theta energy: -17.079 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: 10, replica: 3 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -773.915250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.915250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.915250 (E_RNA) where: Base-Base interactions energy: -402.046 where: short stacking energy: -223.544 Base-Backbone interact. energy: -1.298 local terms energy: -370.571557 where: bonds (distance) C4'-P energy: -97.458 bonds (distance) P-C4' energy: -113.316 flat angles C4'-P-C4' energy: -78.350 flat angles P-C4'-P energy: -67.279 tors. eta vs tors. theta energy: -14.169 Dist. restrs. and SS energy: 0.000 (S_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: 143 Temperature: 0.900000 Total energy: -2202.237288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.237288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.237288 (E_RNA) where: Base-Base interactions energy: -1530.472 where: short stacking energy: -609.022 Base-Backbone interact. energy: -4.979 local terms energy: -666.786006 where: bonds (distance) C4'-P energy: -120.638 bonds (distance) P-C4' energy: -134.902 flat angles C4'-P-C4' energy: -140.221 flat angles P-C4'-P energy: -93.108 tors. eta vs tors. theta energy: -177.917 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: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2011.120192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.120192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.120192 (E_RNA) where: Base-Base interactions energy: -1374.740 where: short stacking energy: -568.974 Base-Backbone interact. energy: -3.488 local terms energy: -632.892972 where: bonds (distance) C4'-P energy: -117.636 bonds (distance) P-C4' energy: -127.015 flat angles C4'-P-C4' energy: -134.417 flat angles P-C4'-P energy: -90.653 tors. eta vs tors. theta energy: -163.171 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: 3, replica: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1942.457231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.457231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.457231 (E_RNA) where: Base-Base interactions energy: -1310.293 where: short stacking energy: -580.194 Base-Backbone interact. energy: -0.610 local terms energy: -631.553858 where: bonds (distance) C4'-P energy: -94.711 bonds (distance) P-C4' energy: -129.725 flat angles C4'-P-C4' energy: -136.603 flat angles P-C4'-P energy: -94.900 tors. eta vs tors. theta energy: -175.614 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: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1805.380806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.380806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.380806 (E_RNA) where: Base-Base interactions energy: -1251.133 where: short stacking energy: -490.075 Base-Backbone interact. energy: 2.558 local terms energy: -556.805558 where: bonds (distance) C4'-P energy: -104.370 bonds (distance) P-C4' energy: -107.490 flat angles C4'-P-C4' energy: -123.656 flat angles P-C4'-P energy: -91.144 tors. eta vs tors. theta energy: -130.146 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: 5, replica: 7 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1691.415347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.415347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.415347 (E_RNA) where: Base-Base interactions energy: -1131.879 where: short stacking energy: -519.530 Base-Backbone interact. energy: -2.668 local terms energy: -556.868193 where: bonds (distance) C4'-P energy: -107.607 bonds (distance) P-C4' energy: -108.295 flat angles C4'-P-C4' energy: -120.315 flat angles P-C4'-P energy: -77.067 tors. eta vs tors. theta energy: -143.584 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: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1480.143946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.143946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.143946 (E_RNA) where: Base-Base interactions energy: -980.732 where: short stacking energy: -425.375 Base-Backbone interact. energy: -2.757 local terms energy: -496.655599 where: bonds (distance) C4'-P energy: -110.404 bonds (distance) P-C4' energy: -115.665 flat angles C4'-P-C4' energy: -112.025 flat angles P-C4'-P energy: -66.077 tors. eta vs tors. theta energy: -92.484 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: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1358.379337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.379337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.379337 (E_RNA) where: Base-Base interactions energy: -907.053 where: short stacking energy: -399.544 Base-Backbone interact. energy: -1.248 local terms energy: -450.078892 where: bonds (distance) C4'-P energy: -87.022 bonds (distance) P-C4' energy: -103.857 flat angles C4'-P-C4' energy: -115.780 flat angles P-C4'-P energy: -54.892 tors. eta vs tors. theta energy: -88.529 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: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1186.032758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.032758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.032758 (E_RNA) where: Base-Base interactions energy: -722.620 where: short stacking energy: -327.652 Base-Backbone interact. energy: 1.587 local terms energy: -464.999919 where: bonds (distance) C4'-P energy: -110.222 bonds (distance) P-C4' energy: -103.438 flat angles C4'-P-C4' energy: -108.973 flat angles P-C4'-P energy: -80.584 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: 9, replica: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -822.285327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.285327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.285327 (E_RNA) where: Base-Base interactions energy: -461.363 where: short stacking energy: -235.896 Base-Backbone interact. energy: 4.688 local terms energy: -365.609775 where: bonds (distance) C4'-P energy: -97.605 bonds (distance) P-C4' energy: -104.296 flat angles C4'-P-C4' energy: -92.204 flat angles P-C4'-P energy: -53.470 tors. eta vs tors. theta energy: -18.034 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: 10, replica: 3 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -717.735689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.735689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.735689 (E_RNA) where: Base-Base interactions energy: -372.991 where: short stacking energy: -187.052 Base-Backbone interact. energy: -0.652 local terms energy: -344.093067 where: bonds (distance) C4'-P energy: -96.713 bonds (distance) P-C4' energy: -100.677 flat angles C4'-P-C4' energy: -86.404 flat angles P-C4'-P energy: -71.455 tors. eta vs tors. theta energy: 11.155 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: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2229.741796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.741796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.741796 (E_RNA) where: Base-Base interactions energy: -1569.434 where: short stacking energy: -614.696 Base-Backbone interact. energy: -2.432 local terms energy: -657.875351 where: bonds (distance) C4'-P energy: -116.879 bonds (distance) P-C4' energy: -120.341 flat angles C4'-P-C4' energy: -147.720 flat angles P-C4'-P energy: -99.693 tors. eta vs tors. theta energy: -173.242 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: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2037.970893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.970893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.970893 (E_RNA) where: Base-Base interactions energy: -1386.110 where: short stacking energy: -572.219 Base-Backbone interact. energy: -0.257 local terms energy: -651.604302 where: bonds (distance) C4'-P energy: -126.251 bonds (distance) P-C4' energy: -129.932 flat angles C4'-P-C4' energy: -145.809 flat angles P-C4'-P energy: -92.439 tors. eta vs tors. theta energy: -157.174 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: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1955.124910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.124910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.124910 (E_RNA) where: Base-Base interactions energy: -1345.740 where: short stacking energy: -606.333 Base-Backbone interact. energy: -1.269 local terms energy: -608.115121 where: bonds (distance) C4'-P energy: -104.161 bonds (distance) P-C4' energy: -107.368 flat angles C4'-P-C4' energy: -132.735 flat angles P-C4'-P energy: -94.933 tors. eta vs tors. theta energy: -168.918 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: 4, replica: 4 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1817.560291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.560291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.560291 (E_RNA) where: Base-Base interactions energy: -1259.027 where: short stacking energy: -555.532 Base-Backbone interact. energy: -3.046 local terms energy: -555.486879 where: bonds (distance) C4'-P energy: -99.671 bonds (distance) P-C4' energy: -108.493 flat angles C4'-P-C4' energy: -121.005 flat angles P-C4'-P energy: -86.897 tors. eta vs tors. theta energy: -139.421 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: 7 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1686.135406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.135406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.135406 (E_RNA) where: Base-Base interactions energy: -1111.521 where: short stacking energy: -481.220 Base-Backbone interact. energy: -2.539 local terms energy: -572.075462 where: bonds (distance) C4'-P energy: -116.598 bonds (distance) P-C4' energy: -126.744 flat angles C4'-P-C4' energy: -120.364 flat angles P-C4'-P energy: -82.101 tors. eta vs tors. theta energy: -126.268 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: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1445.755858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.755858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.755858 (E_RNA) where: Base-Base interactions energy: -947.799 where: short stacking energy: -407.437 Base-Backbone interact. energy: -2.801 local terms energy: -495.155240 where: bonds (distance) C4'-P energy: -110.340 bonds (distance) P-C4' energy: -118.667 flat angles C4'-P-C4' energy: -111.791 flat angles P-C4'-P energy: -65.158 tors. eta vs tors. theta energy: -89.200 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: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1391.251810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.251810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.251810 (E_RNA) where: Base-Base interactions energy: -917.651 where: short stacking energy: -390.164 Base-Backbone interact. energy: 0.677 local terms energy: -474.277333 where: bonds (distance) C4'-P energy: -112.998 bonds (distance) P-C4' energy: -104.657 flat angles C4'-P-C4' energy: -114.773 flat angles P-C4'-P energy: -72.046 tors. eta vs tors. theta energy: -69.802 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: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1151.502308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.502308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.502308 (E_RNA) where: Base-Base interactions energy: -705.161 where: short stacking energy: -321.458 Base-Backbone interact. energy: -0.753 local terms energy: -445.587662 where: bonds (distance) C4'-P energy: -104.853 bonds (distance) P-C4' energy: -113.079 flat angles C4'-P-C4' energy: -99.219 flat angles P-C4'-P energy: -65.439 tors. eta vs tors. theta energy: -62.999 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: 9, replica: 2 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -882.173849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.173849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.173849 (E_RNA) where: Base-Base interactions energy: -497.015 where: short stacking energy: -268.859 Base-Backbone interact. energy: -0.248 local terms energy: -384.911566 where: bonds (distance) C4'-P energy: -99.836 bonds (distance) P-C4' energy: -104.904 flat angles C4'-P-C4' energy: -81.234 flat angles P-C4'-P energy: -69.669 tors. eta vs tors. theta energy: -29.268 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: 10, replica: 3 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -762.341183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.341183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.341183 (E_RNA) where: Base-Base interactions energy: -415.757 where: short stacking energy: -210.048 Base-Backbone interact. energy: 6.214 local terms energy: -352.797533 where: bonds (distance) C4'-P energy: -119.739 bonds (distance) P-C4' energy: -84.661 flat angles C4'-P-C4' energy: -81.788 flat angles P-C4'-P energy: -57.263 tors. eta vs tors. theta energy: -9.346 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: 1, replica: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2220.135436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.135436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.135436 (E_RNA) where: Base-Base interactions energy: -1546.134 where: short stacking energy: -623.876 Base-Backbone interact. energy: -1.856 local terms energy: -672.145527 where: bonds (distance) C4'-P energy: -132.211 bonds (distance) P-C4' energy: -124.544 flat angles C4'-P-C4' energy: -146.394 flat angles P-C4'-P energy: -91.709 tors. eta vs tors. theta energy: -177.287 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: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1998.359569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.359569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.359569 (E_RNA) where: Base-Base interactions energy: -1350.871 where: short stacking energy: -586.685 Base-Backbone interact. energy: -0.750 local terms energy: -646.739196 where: bonds (distance) C4'-P energy: -120.992 bonds (distance) P-C4' energy: -122.425 flat angles C4'-P-C4' energy: -140.223 flat angles P-C4'-P energy: -96.622 tors. eta vs tors. theta energy: -166.477 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: 3, replica: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1951.320497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.320497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.320497 (E_RNA) where: Base-Base interactions energy: -1328.644 where: short stacking energy: -590.099 Base-Backbone interact. energy: -1.195 local terms energy: -621.481905 where: bonds (distance) C4'-P energy: -109.699 bonds (distance) P-C4' energy: -108.110 flat angles C4'-P-C4' energy: -143.402 flat angles P-C4'-P energy: -89.476 tors. eta vs tors. theta energy: -170.795 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: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1842.514808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.514808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.514808 (E_RNA) where: Base-Base interactions energy: -1248.907 where: short stacking energy: -508.455 Base-Backbone interact. energy: -3.757 local terms energy: -589.850586 where: bonds (distance) C4'-P energy: -120.353 bonds (distance) P-C4' energy: -122.624 flat angles C4'-P-C4' energy: -112.741 flat angles P-C4'-P energy: -94.642 tors. eta vs tors. theta energy: -139.491 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: 5, replica: 7 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1746.230173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.230173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.230173 (E_RNA) where: Base-Base interactions energy: -1210.773 where: short stacking energy: -534.219 Base-Backbone interact. energy: 0.784 local terms energy: -536.242009 where: bonds (distance) C4'-P energy: -93.804 bonds (distance) P-C4' energy: -92.353 flat angles C4'-P-C4' energy: -126.244 flat angles P-C4'-P energy: -70.071 tors. eta vs tors. theta energy: -153.769 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: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1480.437647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.437647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.437647 (E_RNA) where: Base-Base interactions energy: -984.279 where: short stacking energy: -433.099 Base-Backbone interact. energy: 2.721 local terms energy: -498.879705 where: bonds (distance) C4'-P energy: -90.663 bonds (distance) P-C4' energy: -89.956 flat angles C4'-P-C4' energy: -124.651 flat angles P-C4'-P energy: -72.856 tors. eta vs tors. theta energy: -120.754 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: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1349.152649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.152649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.152649 (E_RNA) where: Base-Base interactions energy: -869.279 where: short stacking energy: -366.519 Base-Backbone interact. energy: -1.821 local terms energy: -478.052258 where: bonds (distance) C4'-P energy: -112.157 bonds (distance) P-C4' energy: -101.856 flat angles C4'-P-C4' energy: -118.118 flat angles P-C4'-P energy: -73.206 tors. eta vs tors. theta energy: -72.715 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: 145 Temperature: 1.250000 Total energy: -1141.826304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.826304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.826304 (E_RNA) where: Base-Base interactions energy: -720.237 where: short stacking energy: -310.586 Base-Backbone interact. energy: 0.101 local terms energy: -421.690704 where: bonds (distance) C4'-P energy: -94.792 bonds (distance) P-C4' energy: -112.780 flat angles C4'-P-C4' energy: -99.119 flat angles P-C4'-P energy: -55.326 tors. eta vs tors. theta energy: -59.675 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: 9, replica: 2 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -831.512729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.512729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.512729 (E_RNA) where: Base-Base interactions energy: -480.282 where: short stacking energy: -241.414 Base-Backbone interact. energy: 0.856 local terms energy: -352.086060 where: bonds (distance) C4'-P energy: -107.897 bonds (distance) P-C4' energy: -80.307 flat angles C4'-P-C4' energy: -95.990 flat angles P-C4'-P energy: -59.019 tors. eta vs tors. theta energy: -8.873 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: 3 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -722.288065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.288065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.288065 (E_RNA) where: Base-Base interactions energy: -362.871 where: short stacking energy: -181.693 Base-Backbone interact. energy: 1.436 local terms energy: -360.852668 where: bonds (distance) C4'-P energy: -113.278 bonds (distance) P-C4' energy: -104.251 flat angles C4'-P-C4' energy: -79.629 flat angles P-C4'-P energy: -57.122 tors. eta vs tors. theta energy: -6.572 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: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2243.539730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.539730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.539730 (E_RNA) where: Base-Base interactions energy: -1580.739 where: short stacking energy: -632.031 Base-Backbone interact. energy: -2.917 local terms energy: -659.883773 where: bonds (distance) C4'-P energy: -113.833 bonds (distance) P-C4' energy: -118.464 flat angles C4'-P-C4' energy: -152.014 flat angles P-C4'-P energy: -96.128 tors. eta vs tors. theta energy: -179.445 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: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2000.120226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.120226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.120226 (E_RNA) where: Base-Base interactions energy: -1375.771 where: short stacking energy: -562.485 Base-Backbone interact. energy: -2.476 local terms energy: -621.873560 where: bonds (distance) C4'-P energy: -117.058 bonds (distance) P-C4' energy: -119.657 flat angles C4'-P-C4' energy: -136.841 flat angles P-C4'-P energy: -86.519 tors. eta vs tors. theta energy: -161.798 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: 3, replica: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1905.071834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.071834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.071834 (E_RNA) where: Base-Base interactions energy: -1302.443 where: short stacking energy: -556.523 Base-Backbone interact. energy: -3.942 local terms energy: -598.686506 where: bonds (distance) C4'-P energy: -122.398 bonds (distance) P-C4' energy: -115.091 flat angles C4'-P-C4' energy: -129.413 flat angles P-C4'-P energy: -85.178 tors. eta vs tors. theta energy: -146.606 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: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1841.823488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.823488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.823488 (E_RNA) where: Base-Base interactions energy: -1274.482 where: short stacking energy: -507.060 Base-Backbone interact. energy: 1.439 local terms energy: -568.780069 where: bonds (distance) C4'-P energy: -109.389 bonds (distance) P-C4' energy: -121.345 flat angles C4'-P-C4' energy: -125.527 flat angles P-C4'-P energy: -82.765 tors. eta vs tors. theta energy: -129.754 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: 5, replica: 7 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1724.321479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.321479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.321479 (E_RNA) where: Base-Base interactions energy: -1150.487 where: short stacking energy: -513.316 Base-Backbone interact. energy: 5.963 local terms energy: -579.796884 where: bonds (distance) C4'-P energy: -114.083 bonds (distance) P-C4' energy: -112.302 flat angles C4'-P-C4' energy: -132.763 flat angles P-C4'-P energy: -77.909 tors. eta vs tors. theta energy: -142.740 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: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1503.350408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.350408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.350408 (E_RNA) where: Base-Base interactions energy: -1018.374 where: short stacking energy: -415.933 Base-Backbone interact. energy: 4.396 local terms energy: -489.372474 where: bonds (distance) C4'-P energy: -88.617 bonds (distance) P-C4' energy: -103.414 flat angles C4'-P-C4' energy: -114.560 flat angles P-C4'-P energy: -71.906 tors. eta vs tors. theta energy: -110.875 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: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1391.732374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.732374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.732374 (E_RNA) where: Base-Base interactions energy: -941.343 where: short stacking energy: -408.426 Base-Backbone interact. energy: 8.749 local terms energy: -459.137963 where: bonds (distance) C4'-P energy: -102.094 bonds (distance) P-C4' energy: -108.635 flat angles C4'-P-C4' energy: -82.861 flat angles P-C4'-P energy: -73.506 tors. eta vs tors. theta energy: -92.041 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: 146 Temperature: 1.250000 Total energy: -1181.411984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.411984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.411984 (E_RNA) where: Base-Base interactions energy: -754.958 where: short stacking energy: -336.952 Base-Backbone interact. energy: -0.658 local terms energy: -425.796650 where: bonds (distance) C4'-P energy: -108.545 bonds (distance) P-C4' energy: -98.450 flat angles C4'-P-C4' energy: -95.086 flat angles P-C4'-P energy: -52.420 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: 9, replica: 2 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -874.067923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.067923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.067923 (E_RNA) where: Base-Base interactions energy: -493.777 where: short stacking energy: -249.737 Base-Backbone interact. energy: 1.552 local terms energy: -381.842594 where: bonds (distance) C4'-P energy: -90.361 bonds (distance) P-C4' energy: -108.642 flat angles C4'-P-C4' energy: -101.732 flat angles P-C4'-P energy: -60.716 tors. eta vs tors. theta energy: -20.391 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: 10, replica: 3 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -764.670922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.670922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.670922 (E_RNA) where: Base-Base interactions energy: -444.918 where: short stacking energy: -218.932 Base-Backbone interact. energy: -0.296 local terms energy: -319.456854 where: bonds (distance) C4'-P energy: -93.111 bonds (distance) P-C4' energy: -95.072 flat angles C4'-P-C4' energy: -76.685 flat angles P-C4'-P energy: -52.704 tors. eta vs tors. theta energy: -1.885 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: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2215.952643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.952643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.952643 (E_RNA) where: Base-Base interactions energy: -1560.506 where: short stacking energy: -627.242 Base-Backbone interact. energy: -4.167 local terms energy: -651.279505 where: bonds (distance) C4'-P energy: -108.073 bonds (distance) P-C4' energy: -119.400 flat angles C4'-P-C4' energy: -140.425 flat angles P-C4'-P energy: -113.884 tors. eta vs tors. theta energy: -169.496 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: 2, replica: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1984.938301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.938301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.938301 (E_RNA) where: Base-Base interactions energy: -1342.215 where: short stacking energy: -585.341 Base-Backbone interact. energy: -1.781 local terms energy: -640.942926 where: bonds (distance) C4'-P energy: -121.495 bonds (distance) P-C4' energy: -107.042 flat angles C4'-P-C4' energy: -147.814 flat angles P-C4'-P energy: -93.293 tors. eta vs tors. theta energy: -171.299 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: 3, replica: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1924.476505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.476505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.476505 (E_RNA) where: Base-Base interactions energy: -1333.300 where: short stacking energy: -558.992 Base-Backbone interact. energy: -0.749 local terms energy: -590.427545 where: bonds (distance) C4'-P energy: -111.451 bonds (distance) P-C4' energy: -121.315 flat angles C4'-P-C4' energy: -125.229 flat angles P-C4'-P energy: -75.719 tors. eta vs tors. theta energy: -156.714 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: 4, replica: 4 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1822.794044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.794044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.794044 (E_RNA) where: Base-Base interactions energy: -1242.209 where: short stacking energy: -513.577 Base-Backbone interact. energy: -2.939 local terms energy: -577.646010 where: bonds (distance) C4'-P energy: -106.731 bonds (distance) P-C4' energy: -112.625 flat angles C4'-P-C4' energy: -127.750 flat angles P-C4'-P energy: -90.998 tors. eta vs tors. theta energy: -139.541 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: 147 Temperature: 1.100000 Total energy: -1678.889998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.889998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.889998 (E_RNA) where: Base-Base interactions energy: -1131.244 where: short stacking energy: -503.627 Base-Backbone interact. energy: -0.628 local terms energy: -547.017981 where: bonds (distance) C4'-P energy: -101.973 bonds (distance) P-C4' energy: -96.024 flat angles C4'-P-C4' energy: -121.687 flat angles P-C4'-P energy: -90.244 tors. eta vs tors. theta energy: -137.090 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: 6, replica: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1572.874603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.874603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.874603 (E_RNA) where: Base-Base interactions energy: -1025.653 where: short stacking energy: -451.304 Base-Backbone interact. energy: -3.510 local terms energy: -543.711545 where: bonds (distance) C4'-P energy: -108.167 bonds (distance) P-C4' energy: -103.318 flat angles C4'-P-C4' energy: -117.490 flat angles P-C4'-P energy: -84.297 tors. eta vs tors. theta energy: -130.439 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: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1341.979993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.979993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.979993 (E_RNA) where: Base-Base interactions energy: -881.060 where: short stacking energy: -361.410 Base-Backbone interact. energy: -1.587 local terms energy: -459.332335 where: bonds (distance) C4'-P energy: -108.904 bonds (distance) P-C4' energy: -117.194 flat angles C4'-P-C4' energy: -107.349 flat angles P-C4'-P energy: -59.823 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: 8, replica: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1173.050616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.050616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.050616 (E_RNA) where: Base-Base interactions energy: -722.663 where: short stacking energy: -321.418 Base-Backbone interact. energy: -1.315 local terms energy: -449.073348 where: bonds (distance) C4'-P energy: -101.448 bonds (distance) P-C4' energy: -124.752 flat angles C4'-P-C4' energy: -96.314 flat angles P-C4'-P energy: -63.991 tors. eta vs tors. theta energy: -62.567 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: 9, replica: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -889.283649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.283649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.283649 (E_RNA) where: Base-Base interactions energy: -537.753 where: short stacking energy: -239.274 Base-Backbone interact. energy: 3.708 local terms energy: -355.238826 where: bonds (distance) C4'-P energy: -110.607 bonds (distance) P-C4' energy: -85.111 flat angles C4'-P-C4' energy: -84.918 flat angles P-C4'-P energy: -52.149 tors. eta vs tors. theta energy: -22.454 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: 3 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -776.095944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.095944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.095944 (E_RNA) where: Base-Base interactions energy: -406.052 where: short stacking energy: -224.542 Base-Backbone interact. energy: -3.185 local terms energy: -366.858905 where: bonds (distance) C4'-P energy: -84.927 bonds (distance) P-C4' energy: -93.339 flat angles C4'-P-C4' energy: -97.247 flat angles P-C4'-P energy: -64.199 tors. eta vs tors. theta energy: -27.146 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: 1 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2227.852000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.852000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.852000 (E_RNA) where: Base-Base interactions energy: -1555.476 where: short stacking energy: -626.182 Base-Backbone interact. energy: -0.235 local terms energy: -672.140874 where: bonds (distance) C4'-P energy: -118.473 bonds (distance) P-C4' energy: -139.756 flat angles C4'-P-C4' energy: -136.416 flat angles P-C4'-P energy: -103.144 tors. eta vs tors. theta energy: -174.353 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: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2013.890012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.890012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.890012 (E_RNA) where: Base-Base interactions energy: -1378.035 where: short stacking energy: -593.660 Base-Backbone interact. energy: -3.964 local terms energy: -631.891781 where: bonds (distance) C4'-P energy: -104.960 bonds (distance) P-C4' energy: -127.870 flat angles C4'-P-C4' energy: -147.091 flat angles P-C4'-P energy: -90.705 tors. eta vs tors. theta energy: -161.265 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: 148 Temperature: 1.000000 Total energy: -1952.526037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.526037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.526037 (E_RNA) where: Base-Base interactions energy: -1331.562 where: short stacking energy: -585.755 Base-Backbone interact. energy: -3.025 local terms energy: -617.938950 where: bonds (distance) C4'-P energy: -115.898 bonds (distance) P-C4' energy: -113.212 flat angles C4'-P-C4' energy: -143.180 flat angles P-C4'-P energy: -78.258 tors. eta vs tors. theta energy: -167.391 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: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1833.339582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.339582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.339582 (E_RNA) where: Base-Base interactions energy: -1226.147 where: short stacking energy: -502.807 Base-Backbone interact. energy: -2.757 local terms energy: -604.435132 where: bonds (distance) C4'-P energy: -110.225 bonds (distance) P-C4' energy: -132.777 flat angles C4'-P-C4' energy: -135.056 flat angles P-C4'-P energy: -82.633 tors. eta vs tors. theta energy: -143.744 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: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1712.160038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.160038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.160038 (E_RNA) where: Base-Base interactions energy: -1164.885 where: short stacking energy: -508.086 Base-Backbone interact. energy: -3.951 local terms energy: -543.324558 where: bonds (distance) C4'-P energy: -95.758 bonds (distance) P-C4' energy: -109.737 flat angles C4'-P-C4' energy: -126.969 flat angles P-C4'-P energy: -82.447 tors. eta vs tors. theta energy: -128.413 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: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1521.096003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.096003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.096003 (E_RNA) where: Base-Base interactions energy: -998.990 where: short stacking energy: -425.871 Base-Backbone interact. energy: -3.364 local terms energy: -518.742309 where: bonds (distance) C4'-P energy: -108.752 bonds (distance) P-C4' energy: -103.642 flat angles C4'-P-C4' energy: -109.877 flat angles P-C4'-P energy: -73.870 tors. eta vs tors. theta energy: -122.602 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: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1314.995057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.995057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.995057 (E_RNA) where: Base-Base interactions energy: -916.228 where: short stacking energy: -350.026 Base-Backbone interact. energy: -2.051 local terms energy: -396.716743 where: bonds (distance) C4'-P energy: -97.565 bonds (distance) P-C4' energy: -54.765 flat angles C4'-P-C4' energy: -110.392 flat angles P-C4'-P energy: -60.737 tors. eta vs tors. theta energy: -73.257 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: 8, replica: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1126.032253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.032253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.032253 (E_RNA) where: Base-Base interactions energy: -695.128 where: short stacking energy: -311.437 Base-Backbone interact. energy: -2.136 local terms energy: -428.768150 where: bonds (distance) C4'-P energy: -111.271 bonds (distance) P-C4' energy: -107.058 flat angles C4'-P-C4' energy: -111.495 flat angles P-C4'-P energy: -51.975 tors. eta vs tors. theta energy: -46.970 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: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -866.309025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.309025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.309025 (E_RNA) where: Base-Base interactions energy: -468.328 where: short stacking energy: -243.743 Base-Backbone interact. energy: -1.231 local terms energy: -396.750091 where: bonds (distance) C4'-P energy: -106.747 bonds (distance) P-C4' energy: -114.226 flat angles C4'-P-C4' energy: -86.039 flat angles P-C4'-P energy: -52.943 tors. eta vs tors. theta energy: -36.794 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: 3 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -767.374788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.374788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.374788 (E_RNA) where: Base-Base interactions energy: -428.710 where: short stacking energy: -232.221 Base-Backbone interact. energy: -2.389 local terms energy: -336.275240 where: bonds (distance) C4'-P energy: -79.195 bonds (distance) P-C4' energy: -85.428 flat angles C4'-P-C4' energy: -104.030 flat angles P-C4'-P energy: -56.880 tors. eta vs tors. theta energy: -10.742 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: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2221.570635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.570635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.570635 (E_RNA) where: Base-Base interactions energy: -1549.188 where: short stacking energy: -648.054 Base-Backbone interact. energy: -5.506 local terms energy: -666.876624 where: bonds (distance) C4'-P energy: -116.255 bonds (distance) P-C4' energy: -135.409 flat angles C4'-P-C4' energy: -133.927 flat angles P-C4'-P energy: -97.163 tors. eta vs tors. theta energy: -184.124 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: 2, replica: 10 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1995.537191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.537191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.537191 (E_RNA) where: Base-Base interactions energy: -1353.816 where: short stacking energy: -615.079 Base-Backbone interact. energy: -0.362 local terms energy: -641.358588 where: bonds (distance) C4'-P energy: -105.135 bonds (distance) P-C4' energy: -131.946 flat angles C4'-P-C4' energy: -131.563 flat angles P-C4'-P energy: -94.968 tors. eta vs tors. theta energy: -177.746 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: 3, replica: 9 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1976.237713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.237713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.237713 (E_RNA) where: Base-Base interactions energy: -1369.533 where: short stacking energy: -557.402 Base-Backbone interact. energy: 1.471 local terms energy: -608.175633 where: bonds (distance) C4'-P energy: -118.283 bonds (distance) P-C4' energy: -114.438 flat angles C4'-P-C4' energy: -134.585 flat angles P-C4'-P energy: -77.472 tors. eta vs tors. theta energy: -163.398 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: 4, replica: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1837.170472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.170472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.170472 (E_RNA) where: Base-Base interactions energy: -1245.189 where: short stacking energy: -514.117 Base-Backbone interact. energy: 0.264 local terms energy: -592.245626 where: bonds (distance) C4'-P energy: -128.467 bonds (distance) P-C4' energy: -113.228 flat angles C4'-P-C4' energy: -127.719 flat angles P-C4'-P energy: -84.670 tors. eta vs tors. theta energy: -138.162 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: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1696.732079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.732079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.732079 (E_RNA) where: Base-Base interactions energy: -1127.318 where: short stacking energy: -481.054 Base-Backbone interact. energy: 0.965 local terms energy: -570.379331 where: bonds (distance) C4'-P energy: -115.144 bonds (distance) P-C4' energy: -114.870 flat angles C4'-P-C4' energy: -119.558 flat angles P-C4'-P energy: -89.688 tors. eta vs tors. theta energy: -131.119 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: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1435.208400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.208400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.208400 (E_RNA) where: Base-Base interactions energy: -938.645 where: short stacking energy: -386.060 Base-Backbone interact. energy: -3.702 local terms energy: -492.861253 where: bonds (distance) C4'-P energy: -104.571 bonds (distance) P-C4' energy: -115.458 flat angles C4'-P-C4' energy: -116.428 flat angles P-C4'-P energy: -78.499 tors. eta vs tors. theta energy: -77.906 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: 7, replica: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1387.364427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.364427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.364427 (E_RNA) where: Base-Base interactions energy: -905.958 where: short stacking energy: -397.119 Base-Backbone interact. energy: 0.212 local terms energy: -481.618946 where: bonds (distance) C4'-P energy: -118.618 bonds (distance) P-C4' energy: -104.208 flat angles C4'-P-C4' energy: -99.607 flat angles P-C4'-P energy: -75.918 tors. eta vs tors. theta energy: -83.267 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: 149 Temperature: 1.250000 Total energy: -1138.198186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.198186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.198186 (E_RNA) where: Base-Base interactions energy: -688.106 where: short stacking energy: -303.638 Base-Backbone interact. energy: -3.610 local terms energy: -446.482081 where: bonds (distance) C4'-P energy: -98.273 bonds (distance) P-C4' energy: -111.506 flat angles C4'-P-C4' energy: -97.023 flat angles P-C4'-P energy: -81.879 tors. eta vs tors. theta energy: -57.800 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: 9, replica: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -872.596671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.596671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.596671 (E_RNA) where: Base-Base interactions energy: -492.005 where: short stacking energy: -250.004 Base-Backbone interact. energy: -6.468 local terms energy: -374.123530 where: bonds (distance) C4'-P energy: -68.115 bonds (distance) P-C4' energy: -123.705 flat angles C4'-P-C4' energy: -105.568 flat angles P-C4'-P energy: -61.296 tors. eta vs tors. theta energy: -15.440 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: 3 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -774.477068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.477068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.477068 (E_RNA) where: Base-Base interactions energy: -417.182 where: short stacking energy: -230.896 Base-Backbone interact. energy: -3.535 local terms energy: -353.759211 where: bonds (distance) C4'-P energy: -82.809 bonds (distance) P-C4' energy: -110.968 flat angles C4'-P-C4' energy: -89.986 flat angles P-C4'-P energy: -55.386 tors. eta vs tors. theta energy: -14.610 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: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2199.586724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.586724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.586724 (E_RNA) where: Base-Base interactions energy: -1531.420 where: short stacking energy: -602.818 Base-Backbone interact. energy: -4.008 local terms energy: -664.159103 where: bonds (distance) C4'-P energy: -128.350 bonds (distance) P-C4' energy: -115.228 flat angles C4'-P-C4' energy: -148.088 flat angles P-C4'-P energy: -97.878 tors. eta vs tors. theta energy: -174.614 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: 150 Temperature: 0.950000 Total energy: -1984.514449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.514449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.514449 (E_RNA) where: Base-Base interactions energy: -1336.162 where: short stacking energy: -580.421 Base-Backbone interact. energy: -2.752 local terms energy: -645.600317 where: bonds (distance) C4'-P energy: -115.717 bonds (distance) P-C4' energy: -123.892 flat angles C4'-P-C4' energy: -137.591 flat angles P-C4'-P energy: -94.423 tors. eta vs tors. theta energy: -173.977 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: 9 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1972.934838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.934838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.934838 (E_RNA) where: Base-Base interactions energy: -1376.274 where: short stacking energy: -597.258 Base-Backbone interact. energy: -2.144 local terms energy: -594.516306 where: bonds (distance) C4'-P energy: -111.034 bonds (distance) P-C4' energy: -115.187 flat angles C4'-P-C4' energy: -117.930 flat angles P-C4'-P energy: -82.150 tors. eta vs tors. theta energy: -168.216 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: 4, replica: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1828.492150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.492150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.492150 (E_RNA) where: Base-Base interactions energy: -1257.750 where: short stacking energy: -502.103 Base-Backbone interact. energy: -1.411 local terms energy: -569.331283 where: bonds (distance) C4'-P energy: -121.654 bonds (distance) P-C4' energy: -114.263 flat angles C4'-P-C4' energy: -124.648 flat angles P-C4'-P energy: -78.241 tors. eta vs tors. theta energy: -130.526 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: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1706.067298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.067298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.067298 (E_RNA) where: Base-Base interactions energy: -1144.535 where: short stacking energy: -481.529 Base-Backbone interact. energy: 1.725 local terms energy: -563.257321 where: bonds (distance) C4'-P energy: -120.249 bonds (distance) P-C4' energy: -126.018 flat angles C4'-P-C4' energy: -126.671 flat angles P-C4'-P energy: -72.170 tors. eta vs tors. theta energy: -118.150 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: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1449.407046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.407046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.407046 (E_RNA) where: Base-Base interactions energy: -970.081 where: short stacking energy: -395.448 Base-Backbone interact. energy: -3.730 local terms energy: -475.595829 where: bonds (distance) C4'-P energy: -103.630 bonds (distance) P-C4' energy: -115.583 flat angles C4'-P-C4' energy: -112.029 flat angles P-C4'-P energy: -53.947 tors. eta vs tors. theta energy: -90.406 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: 5 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1336.450993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.450993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.450993 (E_RNA) where: Base-Base interactions energy: -862.487 where: short stacking energy: -347.057 Base-Backbone interact. energy: -0.744 local terms energy: -473.220977 where: bonds (distance) C4'-P energy: -103.929 bonds (distance) P-C4' energy: -119.986 flat angles C4'-P-C4' energy: -104.961 flat angles P-C4'-P energy: -80.922 tors. eta vs tors. theta energy: -63.422 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: 8, replica: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1158.526423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.526423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.526423 (E_RNA) where: Base-Base interactions energy: -739.606 where: short stacking energy: -339.145 Base-Backbone interact. energy: 3.251 local terms energy: -422.171526 where: bonds (distance) C4'-P energy: -86.419 bonds (distance) P-C4' energy: -94.018 flat angles C4'-P-C4' energy: -101.911 flat angles P-C4'-P energy: -75.716 tors. eta vs tors. theta energy: -64.108 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: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -912.730066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.730066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.730066 (E_RNA) where: Base-Base interactions energy: -486.675 where: short stacking energy: -255.670 Base-Backbone interact. energy: -1.011 local terms energy: -425.043945 where: bonds (distance) C4'-P energy: -95.901 bonds (distance) P-C4' energy: -117.967 flat angles C4'-P-C4' energy: -105.210 flat angles P-C4'-P energy: -59.506 tors. eta vs tors. theta energy: -46.460 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: 10, replica: 3 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -781.478277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.478277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.478277 (E_RNA) where: Base-Base interactions energy: -448.270 where: short stacking energy: -236.043 Base-Backbone interact. energy: 2.351 local terms energy: -335.558946 where: bonds (distance) C4'-P energy: -87.211 bonds (distance) P-C4' energy: -93.334 flat angles C4'-P-C4' energy: -94.098 flat angles P-C4'-P energy: -36.878 tors. eta vs tors. theta energy: -24.038 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: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2164.868730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.868730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.868730 (E_RNA) where: Base-Base interactions energy: -1505.201 where: short stacking energy: -617.091 Base-Backbone interact. energy: -4.680 local terms energy: -654.987107 where: bonds (distance) C4'-P energy: -115.027 bonds (distance) P-C4' energy: -128.770 flat angles C4'-P-C4' energy: -133.298 flat angles P-C4'-P energy: -105.486 tors. eta vs tors. theta energy: -172.406 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: 2, replica: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2027.349170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.349170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.349170 (E_RNA) where: Base-Base interactions energy: -1368.443 where: short stacking energy: -619.761 Base-Backbone interact. energy: -1.743 local terms energy: -657.163078 where: bonds (distance) C4'-P energy: -112.585 bonds (distance) P-C4' energy: -131.459 flat angles C4'-P-C4' energy: -149.979 flat angles P-C4'-P energy: -91.889 tors. eta vs tors. theta energy: -171.252 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: 3, replica: 9 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2003.627694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.627694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.627694 (E_RNA) where: Base-Base interactions energy: -1374.621 where: short stacking energy: -561.334 Base-Backbone interact. energy: -3.934 local terms energy: -625.072717 where: bonds (distance) C4'-P energy: -106.966 bonds (distance) P-C4' energy: -118.552 flat angles C4'-P-C4' energy: -138.010 flat angles P-C4'-P energy: -91.336 tors. eta vs tors. theta energy: -170.208 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: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1832.516358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.516358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.516358 (E_RNA) where: Base-Base interactions energy: -1246.485 where: short stacking energy: -512.995 Base-Backbone interact. energy: -6.975 local terms energy: -579.056075 where: bonds (distance) C4'-P energy: -110.072 bonds (distance) P-C4' energy: -104.839 flat angles C4'-P-C4' energy: -139.969 flat angles P-C4'-P energy: -95.210 tors. eta vs tors. theta energy: -128.966 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: 7 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1729.974493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.974493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.974493 (E_RNA) where: Base-Base interactions energy: -1195.701 where: short stacking energy: -505.009 Base-Backbone interact. energy: -2.233 local terms energy: -532.040281 where: bonds (distance) C4'-P energy: -95.052 bonds (distance) P-C4' energy: -111.456 flat angles C4'-P-C4' energy: -116.003 flat angles P-C4'-P energy: -77.356 tors. eta vs tors. theta energy: -132.175 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: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1493.295587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.295587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.295587 (E_RNA) where: Base-Base interactions energy: -1000.032 where: short stacking energy: -416.433 Base-Backbone interact. energy: 1.539 local terms energy: -494.803227 where: bonds (distance) C4'-P energy: -110.010 bonds (distance) P-C4' energy: -115.548 flat angles C4'-P-C4' energy: -112.238 flat angles P-C4'-P energy: -76.760 tors. eta vs tors. theta energy: -80.247 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: 7, replica: 5 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1237.279391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.279391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.279391 (E_RNA) where: Base-Base interactions energy: -796.398 where: short stacking energy: -352.956 Base-Backbone interact. energy: 7.600 local terms energy: -448.481728 where: bonds (distance) C4'-P energy: -87.229 bonds (distance) P-C4' energy: -114.274 flat angles C4'-P-C4' energy: -111.784 flat angles P-C4'-P energy: -76.110 tors. eta vs tors. theta energy: -59.085 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: 151 Temperature: 1.250000 Total energy: -1248.049015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.049015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.049015 (E_RNA) where: Base-Base interactions energy: -802.797 where: short stacking energy: -360.488 Base-Backbone interact. energy: -0.398 local terms energy: -444.854177 where: bonds (distance) C4'-P energy: -101.492 bonds (distance) P-C4' energy: -107.486 flat angles C4'-P-C4' energy: -100.380 flat angles P-C4'-P energy: -66.408 tors. eta vs tors. theta energy: -69.088 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: 9, replica: 2 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -871.145834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.145834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.145834 (E_RNA) where: Base-Base interactions energy: -434.938 where: short stacking energy: -239.237 Base-Backbone interact. energy: -0.387 local terms energy: -435.821245 where: bonds (distance) C4'-P energy: -107.963 bonds (distance) P-C4' energy: -137.284 flat angles C4'-P-C4' energy: -98.365 flat angles P-C4'-P energy: -65.829 tors. eta vs tors. theta energy: -26.380 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: 10, replica: 3 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -770.040762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.040762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.040762 (E_RNA) where: Base-Base interactions energy: -429.419 where: short stacking energy: -207.253 Base-Backbone interact. energy: -0.086 local terms energy: -340.535807 where: bonds (distance) C4'-P energy: -95.082 bonds (distance) P-C4' energy: -92.281 flat angles C4'-P-C4' energy: -89.626 flat angles P-C4'-P energy: -55.068 tors. eta vs tors. theta energy: -8.479 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: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2194.546191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.546191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.546191 (E_RNA) where: Base-Base interactions energy: -1518.969 where: short stacking energy: -631.393 Base-Backbone interact. energy: -3.158 local terms energy: -672.419211 where: bonds (distance) C4'-P energy: -132.813 bonds (distance) P-C4' energy: -124.940 flat angles C4'-P-C4' energy: -135.673 flat angles P-C4'-P energy: -96.353 tors. eta vs tors. theta energy: -182.641 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: 2, replica: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2028.262235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.262235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.262235 (E_RNA) where: Base-Base interactions energy: -1378.908 where: short stacking energy: -586.822 Base-Backbone interact. energy: -1.759 local terms energy: -647.595626 where: bonds (distance) C4'-P energy: -114.515 bonds (distance) P-C4' energy: -123.008 flat angles C4'-P-C4' energy: -147.141 flat angles P-C4'-P energy: -92.390 tors. eta vs tors. theta energy: -170.541 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: 3, replica: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1967.648236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.648236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.648236 (E_RNA) where: Base-Base interactions energy: -1334.254 where: short stacking energy: -569.509 Base-Backbone interact. energy: -2.483 local terms energy: -630.911558 where: bonds (distance) C4'-P energy: -109.356 bonds (distance) P-C4' energy: -123.498 flat angles C4'-P-C4' energy: -135.531 flat angles P-C4'-P energy: -95.202 tors. eta vs tors. theta energy: -167.324 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: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1758.649055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.649055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.649055 (E_RNA) where: Base-Base interactions energy: -1213.534 where: short stacking energy: -512.023 Base-Backbone interact. energy: -2.645 local terms energy: -542.470026 where: bonds (distance) C4'-P energy: -118.386 bonds (distance) P-C4' energy: -98.251 flat angles C4'-P-C4' energy: -136.129 flat angles P-C4'-P energy: -72.751 tors. eta vs tors. theta energy: -116.954 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: 7 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1690.306517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.306517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.306517 (E_RNA) where: Base-Base interactions energy: -1158.998 where: short stacking energy: -498.925 Base-Backbone interact. energy: -2.272 local terms energy: -529.036455 where: bonds (distance) C4'-P energy: -100.510 bonds (distance) P-C4' energy: -109.632 flat angles C4'-P-C4' energy: -114.922 flat angles P-C4'-P energy: -83.974 tors. eta vs tors. theta energy: -119.999 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: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1344.126753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.126753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.126753 (E_RNA) where: Base-Base interactions energy: -889.434 where: short stacking energy: -374.583 Base-Backbone interact. energy: -1.192 local terms energy: -453.501150 where: bonds (distance) C4'-P energy: -104.692 bonds (distance) P-C4' energy: -98.002 flat angles C4'-P-C4' energy: -93.692 flat angles P-C4'-P energy: -76.665 tors. eta vs tors. theta energy: -80.451 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: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1266.886321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.886321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.886321 (E_RNA) where: Base-Base interactions energy: -802.270 where: short stacking energy: -374.319 Base-Backbone interact. energy: -3.645 local terms energy: -460.971615 where: bonds (distance) C4'-P energy: -101.452 bonds (distance) P-C4' energy: -120.623 flat angles C4'-P-C4' energy: -108.975 flat angles P-C4'-P energy: -55.872 tors. eta vs tors. theta energy: -74.049 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: 8, replica: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1190.761133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.761133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.761133 (E_RNA) where: Base-Base interactions energy: -761.658 where: short stacking energy: -332.482 Base-Backbone interact. energy: -1.761 local terms energy: -427.342083 where: bonds (distance) C4'-P energy: -99.954 bonds (distance) P-C4' energy: -117.718 flat angles C4'-P-C4' energy: -102.299 flat angles P-C4'-P energy: -52.491 tors. eta vs tors. theta energy: -54.880 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: 9, replica: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -844.942967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.942967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.942967 (E_RNA) where: Base-Base interactions energy: -477.033 where: short stacking energy: -249.326 Base-Backbone interact. energy: 0.792 local terms energy: -368.702137 where: bonds (distance) C4'-P energy: -102.812 bonds (distance) P-C4' energy: -104.629 flat angles C4'-P-C4' energy: -84.328 flat angles P-C4'-P energy: -53.911 tors. eta vs tors. theta energy: -23.023 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: 10, replica: 2 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -811.103815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.103815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.103815 (E_RNA) where: Base-Base interactions energy: -467.530 where: short stacking energy: -246.469 Base-Backbone interact. energy: -0.299 local terms energy: -343.274214 where: bonds (distance) C4'-P energy: -94.611 bonds (distance) P-C4' energy: -110.272 flat angles C4'-P-C4' energy: -69.170 flat angles P-C4'-P energy: -47.195 tors. eta vs tors. theta energy: -22.027 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: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2205.474869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.474869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.474869 (E_RNA) where: Base-Base interactions energy: -1545.749 where: short stacking energy: -625.614 Base-Backbone interact. energy: -4.973 local terms energy: -654.752690 where: bonds (distance) C4'-P energy: -135.561 bonds (distance) P-C4' energy: -118.455 flat angles C4'-P-C4' energy: -142.352 flat angles P-C4'-P energy: -83.984 tors. eta vs tors. theta energy: -174.401 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: 2, replica: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2050.539882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.539882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.539882 (E_RNA) where: Base-Base interactions energy: -1371.560 where: short stacking energy: -592.810 Base-Backbone interact. energy: -2.791 local terms energy: -676.188567 where: bonds (distance) C4'-P energy: -136.882 bonds (distance) P-C4' energy: -131.236 flat angles C4'-P-C4' energy: -136.010 flat angles P-C4'-P energy: -97.998 tors. eta vs tors. theta energy: -174.063 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: 3, replica: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1942.453874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.453874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.453874 (E_RNA) where: Base-Base interactions energy: -1324.082 where: short stacking energy: -558.343 Base-Backbone interact. energy: 0.853 local terms energy: -619.225347 where: bonds (distance) C4'-P energy: -123.781 bonds (distance) P-C4' energy: -103.032 flat angles C4'-P-C4' energy: -140.225 flat angles P-C4'-P energy: -92.457 tors. eta vs tors. theta energy: -159.731 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: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1794.844220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.844220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.844220 (E_RNA) where: Base-Base interactions energy: -1238.225 where: short stacking energy: -492.027 Base-Backbone interact. energy: -2.425 local terms energy: -554.194905 where: bonds (distance) C4'-P energy: -130.643 bonds (distance) P-C4' energy: -109.461 flat angles C4'-P-C4' energy: -98.636 flat angles P-C4'-P energy: -87.533 tors. eta vs tors. theta energy: -127.922 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: 5, replica: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1679.650169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.650169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.650169 (E_RNA) where: Base-Base interactions energy: -1120.813 where: short stacking energy: -481.069 Base-Backbone interact. energy: 0.772 local terms energy: -559.609015 where: bonds (distance) C4'-P energy: -111.970 bonds (distance) P-C4' energy: -125.308 flat angles C4'-P-C4' energy: -121.431 flat angles P-C4'-P energy: -78.612 tors. eta vs tors. theta energy: -122.288 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: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1427.474453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.474453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.474453 (E_RNA) where: Base-Base interactions energy: -947.350 where: short stacking energy: -396.776 Base-Backbone interact. energy: -0.545 local terms energy: -479.579701 where: bonds (distance) C4'-P energy: -103.824 bonds (distance) P-C4' energy: -115.694 flat angles C4'-P-C4' energy: -113.361 flat angles P-C4'-P energy: -68.498 tors. eta vs tors. theta energy: -78.202 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: 8 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1244.193352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.193352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.193352 (E_RNA) where: Base-Base interactions energy: -791.524 where: short stacking energy: -411.320 Base-Backbone interact. energy: -4.399 local terms energy: -448.270550 where: bonds (distance) C4'-P energy: -80.815 bonds (distance) P-C4' energy: -111.240 flat angles C4'-P-C4' energy: -104.262 flat angles P-C4'-P energy: -68.215 tors. eta vs tors. theta energy: -83.738 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: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1145.778687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.778687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.778687 (E_RNA) where: Base-Base interactions energy: -698.473 where: short stacking energy: -301.804 Base-Backbone interact. energy: -2.587 local terms energy: -444.718062 where: bonds (distance) C4'-P energy: -114.948 bonds (distance) P-C4' energy: -111.900 flat angles C4'-P-C4' energy: -99.027 flat angles P-C4'-P energy: -58.211 tors. eta vs tors. theta energy: -60.632 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: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -873.540467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.540467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.540467 (E_RNA) where: Base-Base interactions energy: -491.582 where: short stacking energy: -268.668 Base-Backbone interact. energy: 1.645 local terms energy: -383.603074 where: bonds (distance) C4'-P energy: -93.803 bonds (distance) P-C4' energy: -102.887 flat angles C4'-P-C4' energy: -98.782 flat angles P-C4'-P energy: -54.523 tors. eta vs tors. theta energy: -33.609 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: 2 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -805.437757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.437757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.437757 (E_RNA) where: Base-Base interactions energy: -459.462 where: short stacking energy: -220.307 Base-Backbone interact. energy: -1.927 local terms energy: -344.049352 where: bonds (distance) C4'-P energy: -85.641 bonds (distance) P-C4' energy: -98.739 flat angles C4'-P-C4' energy: -98.214 flat angles P-C4'-P energy: -56.122 tors. eta vs tors. theta energy: -5.333 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: 1, replica: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2195.813330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.813330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.813330 (E_RNA) where: Base-Base interactions energy: -1531.421 where: short stacking energy: -617.659 Base-Backbone interact. energy: -1.201 local terms energy: -663.191045 where: bonds (distance) C4'-P energy: -120.675 bonds (distance) P-C4' energy: -121.787 flat angles C4'-P-C4' energy: -137.890 flat angles P-C4'-P energy: -104.713 tors. eta vs tors. theta energy: -178.126 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: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2063.957944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.957944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.957944 (E_RNA) where: Base-Base interactions energy: -1393.316 where: short stacking energy: -630.097 Base-Backbone interact. energy: 2.582 local terms energy: -673.223568 where: bonds (distance) C4'-P energy: -126.833 bonds (distance) P-C4' energy: -120.625 flat angles C4'-P-C4' energy: -143.084 flat angles P-C4'-P energy: -98.867 tors. eta vs tors. theta energy: -183.814 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: 3, replica: 9 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1968.689153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.689153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.689153 (E_RNA) where: Base-Base interactions energy: -1344.921 where: short stacking energy: -589.813 Base-Backbone interact. energy: -3.856 local terms energy: -619.911904 where: bonds (distance) C4'-P energy: -107.231 bonds (distance) P-C4' energy: -117.158 flat angles C4'-P-C4' energy: -134.594 flat angles P-C4'-P energy: -84.830 tors. eta vs tors. theta energy: -176.100 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: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1784.889657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.889657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.889657 (E_RNA) where: Base-Base interactions energy: -1233.731 where: short stacking energy: -540.173 Base-Backbone interact. energy: -0.954 local terms energy: -550.204504 where: bonds (distance) C4'-P energy: -104.048 bonds (distance) P-C4' energy: -107.595 flat angles C4'-P-C4' energy: -126.618 flat angles P-C4'-P energy: -82.561 tors. eta vs tors. theta energy: -129.382 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: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1730.972377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.972377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.972377 (E_RNA) where: Base-Base interactions energy: -1165.439 where: short stacking energy: -505.956 Base-Backbone interact. energy: -2.763 local terms energy: -562.770392 where: bonds (distance) C4'-P energy: -111.346 bonds (distance) P-C4' energy: -113.896 flat angles C4'-P-C4' energy: -127.859 flat angles P-C4'-P energy: -66.425 tors. eta vs tors. theta energy: -143.245 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: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1466.270738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.270738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.270738 (E_RNA) where: Base-Base interactions energy: -930.666 where: short stacking energy: -420.951 Base-Backbone interact. energy: 0.055 local terms energy: -535.659827 where: bonds (distance) C4'-P energy: -121.697 bonds (distance) P-C4' energy: -113.651 flat angles C4'-P-C4' energy: -125.838 flat angles P-C4'-P energy: -72.282 tors. eta vs tors. theta energy: -102.191 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: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1232.030906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.030906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.030906 (E_RNA) where: Base-Base interactions energy: -759.844 where: short stacking energy: -374.772 Base-Backbone interact. energy: 0.538 local terms energy: -472.724981 where: bonds (distance) C4'-P energy: -102.755 bonds (distance) P-C4' energy: -97.211 flat angles C4'-P-C4' energy: -117.667 flat angles P-C4'-P energy: -65.028 tors. eta vs tors. theta energy: -90.064 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: 8, replica: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1107.488956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.488956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.488956 (E_RNA) where: Base-Base interactions energy: -692.962 where: short stacking energy: -306.401 Base-Backbone interact. energy: -5.521 local terms energy: -409.005851 where: bonds (distance) C4'-P energy: -85.971 bonds (distance) P-C4' energy: -112.607 flat angles C4'-P-C4' energy: -96.583 flat angles P-C4'-P energy: -63.494 tors. eta vs tors. theta energy: -50.351 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: 9, replica: 3 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -804.085160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.085160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.085160 (E_RNA) where: Base-Base interactions energy: -429.927 where: short stacking energy: -221.750 Base-Backbone interact. energy: 4.951 local terms energy: -379.109732 where: bonds (distance) C4'-P energy: -97.594 bonds (distance) P-C4' energy: -118.091 flat angles C4'-P-C4' energy: -95.663 flat angles P-C4'-P energy: -53.425 tors. eta vs tors. theta energy: -14.338 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: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -809.611358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.611358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.611358 (E_RNA) where: Base-Base interactions energy: -428.768 where: short stacking energy: -209.713 Base-Backbone interact. energy: 2.773 local terms energy: -383.616591 where: bonds (distance) C4'-P energy: -98.464 bonds (distance) P-C4' energy: -105.895 flat angles C4'-P-C4' energy: -96.743 flat angles P-C4'-P energy: -58.574 tors. eta vs tors. theta energy: -23.942 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: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2246.774671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.774671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.774671 (E_RNA) where: Base-Base interactions energy: -1563.070 where: short stacking energy: -672.833 Base-Backbone interact. energy: -4.581 local terms energy: -679.123157 where: bonds (distance) C4'-P energy: -121.837 bonds (distance) P-C4' energy: -118.560 flat angles C4'-P-C4' energy: -147.763 flat angles P-C4'-P energy: -97.630 tors. eta vs tors. theta energy: -193.333 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: 2, replica: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2049.877742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.877742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.877742 (E_RNA) where: Base-Base interactions energy: -1383.139 where: short stacking energy: -594.803 Base-Backbone interact. energy: -3.075 local terms energy: -663.663148 where: bonds (distance) C4'-P energy: -109.875 bonds (distance) P-C4' energy: -130.789 flat angles C4'-P-C4' energy: -144.461 flat angles P-C4'-P energy: -101.851 tors. eta vs tors. theta energy: -176.686 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: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1970.906095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.906095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.906095 (E_RNA) where: Base-Base interactions energy: -1353.449 where: short stacking energy: -597.463 Base-Backbone interact. energy: -1.993 local terms energy: -615.464515 where: bonds (distance) C4'-P energy: -104.474 bonds (distance) P-C4' energy: -106.551 flat angles C4'-P-C4' energy: -139.857 flat angles P-C4'-P energy: -89.514 tors. eta vs tors. theta energy: -175.068 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: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1810.449197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.449197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.449197 (E_RNA) where: Base-Base interactions energy: -1272.556 where: short stacking energy: -550.073 Base-Backbone interact. energy: -1.406 local terms energy: -536.487882 where: bonds (distance) C4'-P energy: -101.273 bonds (distance) P-C4' energy: -107.516 flat angles C4'-P-C4' energy: -127.811 flat angles P-C4'-P energy: -77.039 tors. eta vs tors. theta energy: -122.849 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: 5, replica: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1689.822229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.822229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.822229 (E_RNA) where: Base-Base interactions energy: -1145.226 where: short stacking energy: -469.604 Base-Backbone interact. energy: 1.570 local terms energy: -546.166770 where: bonds (distance) C4'-P energy: -107.575 bonds (distance) P-C4' energy: -107.351 flat angles C4'-P-C4' energy: -124.510 flat angles P-C4'-P energy: -84.144 tors. eta vs tors. theta energy: -122.587 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: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1475.841882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.841882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.841882 (E_RNA) where: Base-Base interactions energy: -946.505 where: short stacking energy: -430.724 Base-Backbone interact. energy: -0.922 local terms energy: -528.414762 where: bonds (distance) C4'-P energy: -125.775 bonds (distance) P-C4' energy: -108.828 flat angles C4'-P-C4' energy: -125.247 flat angles P-C4'-P energy: -76.532 tors. eta vs tors. theta energy: -92.032 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: 7, replica: 8 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1209.632791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.632791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.632791 (E_RNA) where: Base-Base interactions energy: -755.240 where: short stacking energy: -340.657 Base-Backbone interact. energy: -0.792 local terms energy: -453.601013 where: bonds (distance) C4'-P energy: -102.694 bonds (distance) P-C4' energy: -100.329 flat angles C4'-P-C4' energy: -111.650 flat angles P-C4'-P energy: -70.424 tors. eta vs tors. theta energy: -68.504 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: 8, replica: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1115.064290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.064290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.064290 (E_RNA) where: Base-Base interactions energy: -679.801 where: short stacking energy: -328.195 Base-Backbone interact. energy: 1.014 local terms energy: -436.277150 where: bonds (distance) C4'-P energy: -102.972 bonds (distance) P-C4' energy: -95.383 flat angles C4'-P-C4' energy: -112.285 flat angles P-C4'-P energy: -60.222 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: 9, replica: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -757.965056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.965056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.965056 (E_RNA) where: Base-Base interactions energy: -390.022 where: short stacking energy: -202.641 Base-Backbone interact. energy: -1.844 local terms energy: -366.099257 where: bonds (distance) C4'-P energy: -101.498 bonds (distance) P-C4' energy: -94.602 flat angles C4'-P-C4' energy: -97.341 flat angles P-C4'-P energy: -53.641 tors. eta vs tors. theta energy: -19.017 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: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -830.812768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.812768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.812768 (E_RNA) where: Base-Base interactions energy: -451.846 where: short stacking energy: -228.258 Base-Backbone interact. energy: -0.664 local terms energy: -378.302546 where: bonds (distance) C4'-P energy: -114.512 bonds (distance) P-C4' energy: -108.943 flat angles C4'-P-C4' energy: -83.821 flat angles P-C4'-P energy: -55.825 tors. eta vs tors. theta energy: -15.201 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: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2190.623000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.623000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.623000 (E_RNA) where: Base-Base interactions energy: -1529.632 where: short stacking energy: -608.355 Base-Backbone interact. energy: 1.243 local terms energy: -662.234162 where: bonds (distance) C4'-P energy: -129.301 bonds (distance) P-C4' energy: -118.116 flat angles C4'-P-C4' energy: -135.013 flat angles P-C4'-P energy: -96.515 tors. eta vs tors. theta energy: -183.288 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: 2, replica: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2067.963429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.963429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.963429 (E_RNA) where: Base-Base interactions energy: -1420.672 where: short stacking energy: -629.206 Base-Backbone interact. energy: -3.101 local terms energy: -644.190095 where: bonds (distance) C4'-P energy: -119.195 bonds (distance) P-C4' energy: -115.394 flat angles C4'-P-C4' energy: -135.101 flat angles P-C4'-P energy: -100.231 tors. eta vs tors. theta energy: -174.269 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: 3, replica: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1969.309737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.309737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.309737 (E_RNA) where: Base-Base interactions energy: -1362.666 where: short stacking energy: -613.586 Base-Backbone interact. energy: 0.991 local terms energy: -607.635528 where: bonds (distance) C4'-P energy: -113.992 bonds (distance) P-C4' energy: -122.180 flat angles C4'-P-C4' energy: -122.431 flat angles P-C4'-P energy: -80.725 tors. eta vs tors. theta energy: -168.308 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: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1829.816378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.816378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.816378 (E_RNA) where: Base-Base interactions energy: -1232.399 where: short stacking energy: -522.033 Base-Backbone interact. energy: -0.464 local terms energy: -596.952657 where: bonds (distance) C4'-P energy: -113.702 bonds (distance) P-C4' energy: -118.931 flat angles C4'-P-C4' energy: -131.348 flat angles P-C4'-P energy: -95.191 tors. eta vs tors. theta energy: -137.782 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: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1717.416497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.416497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.416497 (E_RNA) where: Base-Base interactions energy: -1143.239 where: short stacking energy: -494.402 Base-Backbone interact. energy: -1.005 local terms energy: -573.172722 where: bonds (distance) C4'-P energy: -109.900 bonds (distance) P-C4' energy: -129.717 flat angles C4'-P-C4' energy: -121.776 flat angles P-C4'-P energy: -81.459 tors. eta vs tors. theta energy: -130.321 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: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1564.868919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.868919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.868919 (E_RNA) where: Base-Base interactions energy: -1043.432 where: short stacking energy: -434.804 Base-Backbone interact. energy: -0.753 local terms energy: -520.683964 where: bonds (distance) C4'-P energy: -105.457 bonds (distance) P-C4' energy: -108.027 flat angles C4'-P-C4' energy: -119.089 flat angles P-C4'-P energy: -72.838 tors. eta vs tors. theta energy: -115.273 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: 156 Temperature: 1.200000 Total energy: -1245.834888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.834888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.834888 (E_RNA) where: Base-Base interactions energy: -776.328 where: short stacking energy: -341.339 Base-Backbone interact. energy: -1.906 local terms energy: -467.601763 where: bonds (distance) C4'-P energy: -103.675 bonds (distance) P-C4' energy: -101.227 flat angles C4'-P-C4' energy: -117.301 flat angles P-C4'-P energy: -68.519 tors. eta vs tors. theta energy: -76.881 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: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1175.575007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.575007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.575007 (E_RNA) where: Base-Base interactions energy: -717.701 where: short stacking energy: -333.969 Base-Backbone interact. energy: 0.045 local terms energy: -457.919644 where: bonds (distance) C4'-P energy: -93.762 bonds (distance) P-C4' energy: -118.834 flat angles C4'-P-C4' energy: -111.191 flat angles P-C4'-P energy: -72.221 tors. eta vs tors. theta energy: -61.912 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: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -823.144815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.144815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.144815 (E_RNA) where: Base-Base interactions energy: -444.910 where: short stacking energy: -234.849 Base-Backbone interact. energy: 2.186 local terms energy: -380.420939 where: bonds (distance) C4'-P energy: -109.397 bonds (distance) P-C4' energy: -114.003 flat angles C4'-P-C4' energy: -90.604 flat angles P-C4'-P energy: -49.024 tors. eta vs tors. theta energy: -17.393 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: 10, replica: 3 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -763.232870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.232870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.232870 (E_RNA) where: Base-Base interactions energy: -427.237 where: short stacking energy: -216.764 Base-Backbone interact. energy: 0.189 local terms energy: -336.183953 where: bonds (distance) C4'-P energy: -107.363 bonds (distance) P-C4' energy: -90.133 flat angles C4'-P-C4' energy: -98.897 flat angles P-C4'-P energy: -30.542 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: 1, replica: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2206.314149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.314149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.314149 (E_RNA) where: Base-Base interactions energy: -1536.255 where: short stacking energy: -611.919 Base-Backbone interact. energy: -2.787 local terms energy: -667.272848 where: bonds (distance) C4'-P energy: -125.259 bonds (distance) P-C4' energy: -126.843 flat angles C4'-P-C4' energy: -134.874 flat angles P-C4'-P energy: -96.501 tors. eta vs tors. theta energy: -183.797 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: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2068.112601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.112601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.112601 (E_RNA) where: Base-Base interactions energy: -1413.814 where: short stacking energy: -639.979 Base-Backbone interact. energy: -0.618 local terms energy: -653.680853 where: bonds (distance) C4'-P energy: -118.171 bonds (distance) P-C4' energy: -131.075 flat angles C4'-P-C4' energy: -134.292 flat angles P-C4'-P energy: -94.076 tors. eta vs tors. theta energy: -176.067 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: 3, replica: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1961.591331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.591331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.591331 (E_RNA) where: Base-Base interactions energy: -1347.931 where: short stacking energy: -583.633 Base-Backbone interact. energy: -2.417 local terms energy: -611.243361 where: bonds (distance) C4'-P energy: -112.820 bonds (distance) P-C4' energy: -115.161 flat angles C4'-P-C4' energy: -140.850 flat angles P-C4'-P energy: -86.167 tors. eta vs tors. theta energy: -156.246 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: 4, replica: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1824.588311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.588311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.588311 (E_RNA) where: Base-Base interactions energy: -1269.190 where: short stacking energy: -523.152 Base-Backbone interact. energy: -1.154 local terms energy: -554.243928 where: bonds (distance) C4'-P energy: -104.001 bonds (distance) P-C4' energy: -114.518 flat angles C4'-P-C4' energy: -126.290 flat angles P-C4'-P energy: -81.665 tors. eta vs tors. theta energy: -127.769 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: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1719.710058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.710058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.710058 (E_RNA) where: Base-Base interactions energy: -1143.158 where: short stacking energy: -484.958 Base-Backbone interact. energy: -1.014 local terms energy: -575.538106 where: bonds (distance) C4'-P energy: -125.831 bonds (distance) P-C4' energy: -117.989 flat angles C4'-P-C4' energy: -124.747 flat angles P-C4'-P energy: -77.982 tors. eta vs tors. theta energy: -128.990 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: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1510.991510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.991510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.991510 (E_RNA) where: Base-Base interactions energy: -1011.635 where: short stacking energy: -398.785 Base-Backbone interact. energy: -3.891 local terms energy: -495.465968 where: bonds (distance) C4'-P energy: -105.828 bonds (distance) P-C4' energy: -107.924 flat angles C4'-P-C4' energy: -112.719 flat angles P-C4'-P energy: -68.509 tors. eta vs tors. theta energy: -100.486 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: 7, replica: 8 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1229.929180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.929180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.929180 (E_RNA) where: Base-Base interactions energy: -759.684 where: short stacking energy: -326.961 Base-Backbone interact. energy: -0.939 local terms energy: -469.306008 where: bonds (distance) C4'-P energy: -97.205 bonds (distance) P-C4' energy: -110.316 flat angles C4'-P-C4' energy: -112.167 flat angles P-C4'-P energy: -83.403 tors. eta vs tors. theta energy: -66.214 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: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1208.294916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.294916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.294916 (E_RNA) where: Base-Base interactions energy: -748.124 where: short stacking energy: -368.073 Base-Backbone interact. energy: -0.239 local terms energy: -459.931758 where: bonds (distance) C4'-P energy: -98.943 bonds (distance) P-C4' energy: -115.686 flat angles C4'-P-C4' energy: -111.779 flat angles P-C4'-P energy: -39.828 tors. eta vs tors. theta energy: -93.695 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: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -849.534799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.534799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.534799 (E_RNA) where: Base-Base interactions energy: -466.586 where: short stacking energy: -246.420 Base-Backbone interact. energy: -4.308 local terms energy: -378.641081 where: bonds (distance) C4'-P energy: -97.528 bonds (distance) P-C4' energy: -86.619 flat angles C4'-P-C4' energy: -97.098 flat angles P-C4'-P energy: -68.253 tors. eta vs tors. theta energy: -29.143 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: 10, replica: 3 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -794.435213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.435213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.435213 (E_RNA) where: Base-Base interactions energy: -415.116 where: short stacking energy: -214.723 Base-Backbone interact. energy: -0.458 local terms energy: -378.860672 where: bonds (distance) C4'-P energy: -110.788 bonds (distance) P-C4' energy: -101.414 flat angles C4'-P-C4' energy: -83.530 flat angles P-C4'-P energy: -73.045 tors. eta vs tors. theta energy: -10.084 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: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2212.310618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.310618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.310618 (E_RNA) where: Base-Base interactions energy: -1522.693 where: short stacking energy: -641.312 Base-Backbone interact. energy: -2.810 local terms energy: -686.808089 where: bonds (distance) C4'-P energy: -135.559 bonds (distance) P-C4' energy: -130.219 flat angles C4'-P-C4' energy: -148.610 flat angles P-C4'-P energy: -88.617 tors. eta vs tors. theta energy: -183.803 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: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2050.023328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.023328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.023328 (E_RNA) where: Base-Base interactions energy: -1398.923 where: short stacking energy: -595.343 Base-Backbone interact. energy: 1.003 local terms energy: -652.103177 where: bonds (distance) C4'-P energy: -126.712 bonds (distance) P-C4' energy: -118.843 flat angles C4'-P-C4' energy: -138.187 flat angles P-C4'-P energy: -91.991 tors. eta vs tors. theta energy: -176.370 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: 3, replica: 9 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1982.768409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.768409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.768409 (E_RNA) where: Base-Base interactions energy: -1366.001 where: short stacking energy: -586.439 Base-Backbone interact. energy: -2.719 local terms energy: -614.048694 where: bonds (distance) C4'-P energy: -120.972 bonds (distance) P-C4' energy: -111.826 flat angles C4'-P-C4' energy: -127.902 flat angles P-C4'-P energy: -86.502 tors. eta vs tors. theta energy: -166.847 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: 4, replica: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1822.808887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.808887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.808887 (E_RNA) where: Base-Base interactions energy: -1237.283 where: short stacking energy: -505.996 Base-Backbone interact. energy: -1.735 local terms energy: -583.791187 where: bonds (distance) C4'-P energy: -125.394 bonds (distance) P-C4' energy: -122.208 flat angles C4'-P-C4' energy: -129.916 flat angles P-C4'-P energy: -79.117 tors. eta vs tors. theta energy: -127.155 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: 5, replica: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1726.750219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.750219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.750219 (E_RNA) where: Base-Base interactions energy: -1184.734 where: short stacking energy: -514.615 Base-Backbone interact. energy: -1.752 local terms energy: -540.264546 where: bonds (distance) C4'-P energy: -96.516 bonds (distance) P-C4' energy: -117.191 flat angles C4'-P-C4' energy: -120.962 flat angles P-C4'-P energy: -71.456 tors. eta vs tors. theta energy: -134.140 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: 6, replica: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1506.714272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.714272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.714272 (E_RNA) where: Base-Base interactions energy: -996.073 where: short stacking energy: -402.341 Base-Backbone interact. energy: -1.350 local terms energy: -509.291487 where: bonds (distance) C4'-P energy: -108.085 bonds (distance) P-C4' energy: -115.073 flat angles C4'-P-C4' energy: -104.235 flat angles P-C4'-P energy: -88.409 tors. eta vs tors. theta energy: -93.489 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: 7, replica: 8 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1279.379716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.379716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.379716 (E_RNA) where: Base-Base interactions energy: -804.054 where: short stacking energy: -363.036 Base-Backbone interact. energy: -3.664 local terms energy: -471.661224 where: bonds (distance) C4'-P energy: -103.302 bonds (distance) P-C4' energy: -93.520 flat angles C4'-P-C4' energy: -115.292 flat angles P-C4'-P energy: -78.268 tors. eta vs tors. theta energy: -81.279 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: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1204.135616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.135616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.135616 (E_RNA) where: Base-Base interactions energy: -783.352 where: short stacking energy: -342.805 Base-Backbone interact. energy: 1.105 local terms energy: -421.888795 where: bonds (distance) C4'-P energy: -85.860 bonds (distance) P-C4' energy: -108.903 flat angles C4'-P-C4' energy: -104.157 flat angles P-C4'-P energy: -50.552 tors. eta vs tors. theta energy: -72.416 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: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -887.123162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.123162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.123162 (E_RNA) where: Base-Base interactions energy: -501.544 where: short stacking energy: -262.595 Base-Backbone interact. energy: 4.309 local terms energy: -389.887247 where: bonds (distance) C4'-P energy: -102.120 bonds (distance) P-C4' energy: -105.935 flat angles C4'-P-C4' energy: -83.355 flat angles P-C4'-P energy: -59.582 tors. eta vs tors. theta energy: -38.895 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: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -816.776510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.776510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.776510 (E_RNA) where: Base-Base interactions energy: -469.990 where: short stacking energy: -228.529 Base-Backbone interact. energy: -0.315 local terms energy: -346.470941 where: bonds (distance) C4'-P energy: -107.590 bonds (distance) P-C4' energy: -89.131 flat angles C4'-P-C4' energy: -93.333 flat angles P-C4'-P energy: -48.706 tors. eta vs tors. theta energy: -7.712 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: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2199.282887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.282887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.282887 (E_RNA) where: Base-Base interactions energy: -1529.846 where: short stacking energy: -622.929 Base-Backbone interact. energy: -5.913 local terms energy: -663.524064 where: bonds (distance) C4'-P energy: -116.999 bonds (distance) P-C4' energy: -130.333 flat angles C4'-P-C4' energy: -140.452 flat angles P-C4'-P energy: -93.405 tors. eta vs tors. theta energy: -182.335 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: 2, replica: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2046.949307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.949307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.949307 (E_RNA) where: Base-Base interactions energy: -1393.918 where: short stacking energy: -613.784 Base-Backbone interact. energy: -0.653 local terms energy: -652.378288 where: bonds (distance) C4'-P energy: -130.791 bonds (distance) P-C4' energy: -117.688 flat angles C4'-P-C4' energy: -144.331 flat angles P-C4'-P energy: -85.383 tors. eta vs tors. theta energy: -174.184 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: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1967.274631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.274631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.274631 (E_RNA) where: Base-Base interactions energy: -1353.830 where: short stacking energy: -588.780 Base-Backbone interact. energy: -1.790 local terms energy: -611.654946 where: bonds (distance) C4'-P energy: -109.490 bonds (distance) P-C4' energy: -113.350 flat angles C4'-P-C4' energy: -137.231 flat angles P-C4'-P energy: -85.011 tors. eta vs tors. theta energy: -166.573 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: 4, replica: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1785.676074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.676074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.676074 (E_RNA) where: Base-Base interactions energy: -1220.770 where: short stacking energy: -522.688 Base-Backbone interact. energy: 2.642 local terms energy: -567.548787 where: bonds (distance) C4'-P energy: -100.854 bonds (distance) P-C4' energy: -111.100 flat angles C4'-P-C4' energy: -138.505 flat angles P-C4'-P energy: -82.992 tors. eta vs tors. theta energy: -134.097 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: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1702.875910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.875910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.875910 (E_RNA) where: Base-Base interactions energy: -1136.472 where: short stacking energy: -502.493 Base-Backbone interact. energy: 0.991 local terms energy: -567.395507 where: bonds (distance) C4'-P energy: -118.450 bonds (distance) P-C4' energy: -110.980 flat angles C4'-P-C4' energy: -123.956 flat angles P-C4'-P energy: -83.378 tors. eta vs tors. theta energy: -130.631 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: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1463.040108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.040108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.040108 (E_RNA) where: Base-Base interactions energy: -969.872 where: short stacking energy: -433.463 Base-Backbone interact. energy: -0.586 local terms energy: -492.582837 where: bonds (distance) C4'-P energy: -107.871 bonds (distance) P-C4' energy: -97.749 flat angles C4'-P-C4' energy: -113.833 flat angles P-C4'-P energy: -76.470 tors. eta vs tors. theta energy: -96.660 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: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1338.195158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.195158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.195158 (E_RNA) where: Base-Base interactions energy: -859.269 where: short stacking energy: -384.451 Base-Backbone interact. energy: 3.659 local terms energy: -482.584919 where: bonds (distance) C4'-P energy: -102.072 bonds (distance) P-C4' energy: -111.073 flat angles C4'-P-C4' energy: -112.978 flat angles P-C4'-P energy: -74.150 tors. eta vs tors. theta energy: -82.312 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: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1216.492342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.492342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.492342 (E_RNA) where: Base-Base interactions energy: -756.582 where: short stacking energy: -345.126 Base-Backbone interact. energy: -1.523 local terms energy: -458.387725 where: bonds (distance) C4'-P energy: -112.181 bonds (distance) P-C4' energy: -113.718 flat angles C4'-P-C4' energy: -94.814 flat angles P-C4'-P energy: -60.693 tors. eta vs tors. theta energy: -76.981 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: 9, replica: 3 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -865.219474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.219474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.219474 (E_RNA) where: Base-Base interactions energy: -448.901 where: short stacking energy: -226.164 Base-Backbone interact. energy: -1.042 local terms energy: -415.276369 where: bonds (distance) C4'-P energy: -112.399 bonds (distance) P-C4' energy: -115.560 flat angles C4'-P-C4' energy: -86.848 flat angles P-C4'-P energy: -67.136 tors. eta vs tors. theta energy: -33.333 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: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -807.449632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.449632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.449632 (E_RNA) where: Base-Base interactions energy: -465.320 where: short stacking energy: -240.307 Base-Backbone interact. energy: -4.283 local terms energy: -337.846847 where: bonds (distance) C4'-P energy: -94.642 bonds (distance) P-C4' energy: -108.651 flat angles C4'-P-C4' energy: -97.825 flat angles P-C4'-P energy: -29.611 tors. eta vs tors. theta energy: -7.119 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: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2209.808088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.808088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.808088 (E_RNA) where: Base-Base interactions energy: -1547.123 where: short stacking energy: -625.001 Base-Backbone interact. energy: -2.790 local terms energy: -659.894901 where: bonds (distance) C4'-P energy: -118.455 bonds (distance) P-C4' energy: -120.098 flat angles C4'-P-C4' energy: -139.920 flat angles P-C4'-P energy: -106.173 tors. eta vs tors. theta energy: -175.249 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: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2035.782570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.782570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.782570 (E_RNA) where: Base-Base interactions energy: -1371.984 where: short stacking energy: -599.650 Base-Backbone interact. energy: -2.017 local terms energy: -661.781879 where: bonds (distance) C4'-P energy: -110.679 bonds (distance) P-C4' energy: -129.026 flat angles C4'-P-C4' energy: -139.715 flat angles P-C4'-P energy: -99.266 tors. eta vs tors. theta energy: -183.096 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: 3, replica: 9 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1975.298721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.298721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.298721 (E_RNA) where: Base-Base interactions energy: -1354.410 where: short stacking energy: -567.821 Base-Backbone interact. energy: -0.851 local terms energy: -620.037637 where: bonds (distance) C4'-P energy: -113.107 bonds (distance) P-C4' energy: -131.378 flat angles C4'-P-C4' energy: -114.983 flat angles P-C4'-P energy: -100.040 tors. eta vs tors. theta energy: -160.530 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: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1825.004565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.004565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.004565 (E_RNA) where: Base-Base interactions energy: -1265.431 where: short stacking energy: -509.390 Base-Backbone interact. energy: 1.614 local terms energy: -561.187708 where: bonds (distance) C4'-P energy: -122.356 bonds (distance) P-C4' energy: -118.072 flat angles C4'-P-C4' energy: -119.698 flat angles P-C4'-P energy: -74.804 tors. eta vs tors. theta energy: -126.259 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: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1707.884648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.884648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.884648 (E_RNA) where: Base-Base interactions energy: -1155.216 where: short stacking energy: -506.356 Base-Backbone interact. energy: -1.938 local terms energy: -550.730230 where: bonds (distance) C4'-P energy: -115.559 bonds (distance) P-C4' energy: -112.270 flat angles C4'-P-C4' energy: -132.239 flat angles P-C4'-P energy: -64.645 tors. eta vs tors. theta energy: -126.017 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: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1462.570977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.570977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.570977 (E_RNA) where: Base-Base interactions energy: -994.937 where: short stacking energy: -416.959 Base-Backbone interact. energy: -2.120 local terms energy: -465.514510 where: bonds (distance) C4'-P energy: -95.555 bonds (distance) P-C4' energy: -99.431 flat angles C4'-P-C4' energy: -120.392 flat angles P-C4'-P energy: -77.896 tors. eta vs tors. theta energy: -72.240 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: 7, replica: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1264.989678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.989678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.989678 (E_RNA) where: Base-Base interactions energy: -771.628 where: short stacking energy: -366.314 Base-Backbone interact. energy: 4.366 local terms energy: -497.727399 where: bonds (distance) C4'-P energy: -110.154 bonds (distance) P-C4' energy: -111.929 flat angles C4'-P-C4' energy: -124.030 flat angles P-C4'-P energy: -77.123 tors. eta vs tors. theta energy: -74.491 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: 5 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1131.303528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.303528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.303528 (E_RNA) where: Base-Base interactions energy: -730.565 where: short stacking energy: -341.950 Base-Backbone interact. energy: -0.857 local terms energy: -399.881464 where: bonds (distance) C4'-P energy: -90.501 bonds (distance) P-C4' energy: -73.180 flat angles C4'-P-C4' energy: -97.638 flat angles P-C4'-P energy: -61.991 tors. eta vs tors. theta energy: -76.572 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: 9, replica: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -840.139170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.139170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.139170 (E_RNA) where: Base-Base interactions energy: -454.469 where: short stacking energy: -237.334 Base-Backbone interact. energy: 0.652 local terms energy: -386.322479 where: bonds (distance) C4'-P energy: -91.932 bonds (distance) P-C4' energy: -125.120 flat angles C4'-P-C4' energy: -85.402 flat angles P-C4'-P energy: -53.927 tors. eta vs tors. theta energy: -29.942 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: 2 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -790.040605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.040605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.040605 (E_RNA) where: Base-Base interactions energy: -477.528 where: short stacking energy: -237.268 Base-Backbone interact. energy: -1.294 local terms energy: -311.219236 where: bonds (distance) C4'-P energy: -82.680 bonds (distance) P-C4' energy: -79.834 flat angles C4'-P-C4' energy: -87.113 flat angles P-C4'-P energy: -58.601 tors. eta vs tors. theta energy: -2.991 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: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2205.852743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.852743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.852743 (E_RNA) where: Base-Base interactions energy: -1546.764 where: short stacking energy: -626.829 Base-Backbone interact. energy: -1.480 local terms energy: -657.609428 where: bonds (distance) C4'-P energy: -119.531 bonds (distance) P-C4' energy: -133.505 flat angles C4'-P-C4' energy: -146.675 flat angles P-C4'-P energy: -85.143 tors. eta vs tors. theta energy: -172.756 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: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2080.691637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.691637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.691637 (E_RNA) where: Base-Base interactions energy: -1385.902 where: short stacking energy: -627.509 Base-Backbone interact. energy: 0.940 local terms energy: -695.730288 where: bonds (distance) C4'-P energy: -133.911 bonds (distance) P-C4' energy: -133.672 flat angles C4'-P-C4' energy: -143.545 flat angles P-C4'-P energy: -93.675 tors. eta vs tors. theta energy: -190.927 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: 9 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1984.740880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.740880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.740880 (E_RNA) where: Base-Base interactions energy: -1358.737 where: short stacking energy: -605.436 Base-Backbone interact. energy: -1.701 local terms energy: -624.302893 where: bonds (distance) C4'-P energy: -99.693 bonds (distance) P-C4' energy: -124.429 flat angles C4'-P-C4' energy: -135.543 flat angles P-C4'-P energy: -96.455 tors. eta vs tors. theta energy: -168.184 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: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1780.535574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.535574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.535574 (E_RNA) where: Base-Base interactions energy: -1212.554 where: short stacking energy: -497.658 Base-Backbone interact. energy: -1.884 local terms energy: -566.098276 where: bonds (distance) C4'-P energy: -115.309 bonds (distance) P-C4' energy: -112.070 flat angles C4'-P-C4' energy: -134.769 flat angles P-C4'-P energy: -67.608 tors. eta vs tors. theta energy: -136.343 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: 5, replica: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1702.083587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.083587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.083587 (E_RNA) where: Base-Base interactions energy: -1134.921 where: short stacking energy: -485.621 Base-Backbone interact. energy: -3.245 local terms energy: -563.918328 where: bonds (distance) C4'-P energy: -113.027 bonds (distance) P-C4' energy: -118.604 flat angles C4'-P-C4' energy: -118.631 flat angles P-C4'-P energy: -85.071 tors. eta vs tors. theta energy: -128.585 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: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1473.026772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.026772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.026772 (E_RNA) where: Base-Base interactions energy: -950.347 where: short stacking energy: -424.611 Base-Backbone interact. energy: -3.445 local terms energy: -519.234279 where: bonds (distance) C4'-P energy: -110.284 bonds (distance) P-C4' energy: -114.564 flat angles C4'-P-C4' energy: -116.039 flat angles P-C4'-P energy: -78.259 tors. eta vs tors. theta energy: -100.089 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: 7, replica: 8 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1294.841187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.841187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.841187 (E_RNA) where: Base-Base interactions energy: -818.412 where: short stacking energy: -394.040 Base-Backbone interact. energy: 1.223 local terms energy: -477.651436 where: bonds (distance) C4'-P energy: -110.356 bonds (distance) P-C4' energy: -97.508 flat angles C4'-P-C4' energy: -108.134 flat angles P-C4'-P energy: -63.941 tors. eta vs tors. theta energy: -97.712 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: 8, replica: 5 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1145.122234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.122234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.122234 (E_RNA) where: Base-Base interactions energy: -710.939 where: short stacking energy: -325.670 Base-Backbone interact. energy: -1.633 local terms energy: -432.550423 where: bonds (distance) C4'-P energy: -101.053 bonds (distance) P-C4' energy: -108.151 flat angles C4'-P-C4' energy: -95.944 flat angles P-C4'-P energy: -66.066 tors. eta vs tors. theta energy: -61.336 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: 9, replica: 3 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -833.898220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.898220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.898220 (E_RNA) where: Base-Base interactions energy: -450.172 where: short stacking energy: -255.093 Base-Backbone interact. energy: -1.104 local terms energy: -382.622209 where: bonds (distance) C4'-P energy: -94.313 bonds (distance) P-C4' energy: -116.214 flat angles C4'-P-C4' energy: -101.663 flat angles P-C4'-P energy: -48.429 tors. eta vs tors. theta energy: -22.004 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: 2 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -782.120337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.120337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.120337 (E_RNA) where: Base-Base interactions energy: -431.089 where: short stacking energy: -224.045 Base-Backbone interact. energy: -0.792 local terms energy: -350.239783 where: bonds (distance) C4'-P energy: -94.096 bonds (distance) P-C4' energy: -108.178 flat angles C4'-P-C4' energy: -95.286 flat angles P-C4'-P energy: -37.713 tors. eta vs tors. theta energy: -14.967 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: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2223.062641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.062641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.062641 (E_RNA) where: Base-Base interactions energy: -1553.823 where: short stacking energy: -631.736 Base-Backbone interact. energy: -4.763 local terms energy: -664.476966 where: bonds (distance) C4'-P energy: -116.442 bonds (distance) P-C4' energy: -127.959 flat angles C4'-P-C4' energy: -143.365 flat angles P-C4'-P energy: -92.243 tors. eta vs tors. theta energy: -184.468 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: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2045.257088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.257088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.257088 (E_RNA) where: Base-Base interactions energy: -1391.659 where: short stacking energy: -620.675 Base-Backbone interact. energy: -3.217 local terms energy: -650.381897 where: bonds (distance) C4'-P energy: -113.157 bonds (distance) P-C4' energy: -136.704 flat angles C4'-P-C4' energy: -132.505 flat angles P-C4'-P energy: -95.346 tors. eta vs tors. theta energy: -172.670 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: 9 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1969.448629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.448629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.448629 (E_RNA) where: Base-Base interactions energy: -1315.893 where: short stacking energy: -567.962 Base-Backbone interact. energy: 2.478 local terms energy: -656.033589 where: bonds (distance) C4'-P energy: -127.188 bonds (distance) P-C4' energy: -119.122 flat angles C4'-P-C4' energy: -144.542 flat angles P-C4'-P energy: -102.878 tors. eta vs tors. theta energy: -162.303 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: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1803.051020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.051020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.051020 (E_RNA) where: Base-Base interactions energy: -1223.175 where: short stacking energy: -527.285 Base-Backbone interact. energy: -1.855 local terms energy: -578.021231 where: bonds (distance) C4'-P energy: -98.403 bonds (distance) P-C4' energy: -117.106 flat angles C4'-P-C4' energy: -127.408 flat angles P-C4'-P energy: -87.993 tors. eta vs tors. theta energy: -147.110 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: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1716.599410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.599410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.599410 (E_RNA) where: Base-Base interactions energy: -1159.957 where: short stacking energy: -484.580 Base-Backbone interact. energy: -2.313 local terms energy: -554.329253 where: bonds (distance) C4'-P energy: -110.477 bonds (distance) P-C4' energy: -115.467 flat angles C4'-P-C4' energy: -128.229 flat angles P-C4'-P energy: -64.727 tors. eta vs tors. theta energy: -135.428 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: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1564.334441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.334441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.334441 (E_RNA) where: Base-Base interactions energy: -1065.149 where: short stacking energy: -439.658 Base-Backbone interact. energy: 0.979 local terms energy: -500.164741 where: bonds (distance) C4'-P energy: -105.482 bonds (distance) P-C4' energy: -99.954 flat angles C4'-P-C4' energy: -110.457 flat angles P-C4'-P energy: -78.786 tors. eta vs tors. theta energy: -105.486 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: 7, replica: 8 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1315.791250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.791250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.791250 (E_RNA) where: Base-Base interactions energy: -826.933 where: short stacking energy: -376.360 Base-Backbone interact. energy: -1.162 local terms energy: -487.695667 where: bonds (distance) C4'-P energy: -104.705 bonds (distance) P-C4' energy: -104.996 flat angles C4'-P-C4' energy: -114.400 flat angles P-C4'-P energy: -66.568 tors. eta vs tors. theta energy: -97.026 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: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1115.681474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.681474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.681474 (E_RNA) where: Base-Base interactions energy: -705.583 where: short stacking energy: -305.511 Base-Backbone interact. energy: -1.843 local terms energy: -408.255363 where: bonds (distance) C4'-P energy: -97.065 bonds (distance) P-C4' energy: -99.035 flat angles C4'-P-C4' energy: -108.676 flat angles P-C4'-P energy: -45.146 tors. eta vs tors. theta energy: -58.334 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: 9, replica: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -844.912566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.912566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.912566 (E_RNA) where: Base-Base interactions energy: -452.657 where: short stacking energy: -242.308 Base-Backbone interact. energy: 1.180 local terms energy: -393.434870 where: bonds (distance) C4'-P energy: -93.413 bonds (distance) P-C4' energy: -121.563 flat angles C4'-P-C4' energy: -95.675 flat angles P-C4'-P energy: -64.166 tors. eta vs tors. theta energy: -18.618 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: 3 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -811.988472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.988472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.988472 (E_RNA) where: Base-Base interactions energy: -442.170 where: short stacking energy: -220.108 Base-Backbone interact. energy: 2.415 local terms energy: -372.233571 where: bonds (distance) C4'-P energy: -106.753 bonds (distance) P-C4' energy: -97.569 flat angles C4'-P-C4' energy: -72.931 flat angles P-C4'-P energy: -75.671 tors. eta vs tors. theta energy: -19.309 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: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2207.794012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.794012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.794012 (E_RNA) where: Base-Base interactions energy: -1562.096 where: short stacking energy: -632.135 Base-Backbone interact. energy: -2.790 local terms energy: -642.907361 where: bonds (distance) C4'-P energy: -111.435 bonds (distance) P-C4' energy: -115.420 flat angles C4'-P-C4' energy: -135.368 flat angles P-C4'-P energy: -89.263 tors. eta vs tors. theta energy: -191.421 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: 2, replica: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2034.963084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.963084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.963084 (E_RNA) where: Base-Base interactions energy: -1382.245 where: short stacking energy: -600.659 Base-Backbone interact. energy: -1.625 local terms energy: -651.093470 where: bonds (distance) C4'-P energy: -126.345 bonds (distance) P-C4' energy: -123.094 flat angles C4'-P-C4' energy: -142.703 flat angles P-C4'-P energy: -88.740 tors. eta vs tors. theta energy: -170.211 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: 3, replica: 9 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1927.007793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.007793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.007793 (E_RNA) where: Base-Base interactions energy: -1295.703 where: short stacking energy: -560.716 Base-Backbone interact. energy: -0.988 local terms energy: -630.316206 where: bonds (distance) C4'-P energy: -113.779 bonds (distance) P-C4' energy: -132.507 flat angles C4'-P-C4' energy: -136.317 flat angles P-C4'-P energy: -95.112 tors. eta vs tors. theta energy: -152.602 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: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1813.741923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.741923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.741923 (E_RNA) where: Base-Base interactions energy: -1239.320 where: short stacking energy: -504.769 Base-Backbone interact. energy: -0.836 local terms energy: -573.585531 where: bonds (distance) C4'-P energy: -100.610 bonds (distance) P-C4' energy: -126.942 flat angles C4'-P-C4' energy: -120.532 flat angles P-C4'-P energy: -86.162 tors. eta vs tors. theta energy: -139.340 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: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1683.246982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.246982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.246982 (E_RNA) where: Base-Base interactions energy: -1154.593 where: short stacking energy: -481.569 Base-Backbone interact. energy: 0.023 local terms energy: -528.676819 where: bonds (distance) C4'-P energy: -99.635 bonds (distance) P-C4' energy: -112.837 flat angles C4'-P-C4' energy: -115.100 flat angles P-C4'-P energy: -74.186 tors. eta vs tors. theta energy: -126.919 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: 6, replica: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1572.920165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.920165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.920165 (E_RNA) where: Base-Base interactions energy: -1059.227 where: short stacking energy: -450.309 Base-Backbone interact. energy: 1.852 local terms energy: -515.545534 where: bonds (distance) C4'-P energy: -117.974 bonds (distance) P-C4' energy: -118.017 flat angles C4'-P-C4' energy: -116.151 flat angles P-C4'-P energy: -72.951 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: 7, replica: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1338.530490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.530490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.530490 (E_RNA) where: Base-Base interactions energy: -859.476 where: short stacking energy: -399.426 Base-Backbone interact. energy: 3.507 local terms energy: -482.560972 where: bonds (distance) C4'-P energy: -111.246 bonds (distance) P-C4' energy: -122.702 flat angles C4'-P-C4' energy: -101.684 flat angles P-C4'-P energy: -59.248 tors. eta vs tors. theta energy: -87.681 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: 8, replica: 5 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1113.878212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.878212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.878212 (E_RNA) where: Base-Base interactions energy: -666.204 where: short stacking energy: -318.532 Base-Backbone interact. energy: -0.660 local terms energy: -447.014565 where: bonds (distance) C4'-P energy: -94.030 bonds (distance) P-C4' energy: -112.419 flat angles C4'-P-C4' energy: -107.517 flat angles P-C4'-P energy: -70.525 tors. eta vs tors. theta energy: -62.522 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: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -829.503740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.503740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.503740 (E_RNA) where: Base-Base interactions energy: -469.884 where: short stacking energy: -238.658 Base-Backbone interact. energy: 0.157 local terms energy: -359.776712 where: bonds (distance) C4'-P energy: -89.425 bonds (distance) P-C4' energy: -100.514 flat angles C4'-P-C4' energy: -90.351 flat angles P-C4'-P energy: -66.636 tors. eta vs tors. theta energy: -12.851 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: 10, replica: 3 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -786.475310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.475310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.475310 (E_RNA) where: Base-Base interactions energy: -451.412 where: short stacking energy: -216.087 Base-Backbone interact. energy: 1.724 local terms energy: -336.787786 where: bonds (distance) C4'-P energy: -94.488 bonds (distance) P-C4' energy: -87.531 flat angles C4'-P-C4' energy: -90.504 flat angles P-C4'-P energy: -59.875 tors. eta vs tors. theta energy: -4.390 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: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2223.880965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.880965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.880965 (E_RNA) where: Base-Base interactions energy: -1546.440 where: short stacking energy: -634.405 Base-Backbone interact. energy: -3.014 local terms energy: -674.427270 where: bonds (distance) C4'-P energy: -112.800 bonds (distance) P-C4' energy: -130.252 flat angles C4'-P-C4' energy: -147.892 flat angles P-C4'-P energy: -99.534 tors. eta vs tors. theta energy: -183.950 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: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2028.697976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.697976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.697976 (E_RNA) where: Base-Base interactions energy: -1363.257 where: short stacking energy: -597.566 Base-Backbone interact. energy: -1.586 local terms energy: -663.854940 where: bonds (distance) C4'-P energy: -116.469 bonds (distance) P-C4' energy: -135.192 flat angles C4'-P-C4' energy: -137.836 flat angles P-C4'-P energy: -101.652 tors. eta vs tors. theta energy: -172.706 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: 3, replica: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1929.894096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.894096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.894096 (E_RNA) where: Base-Base interactions energy: -1328.731 where: short stacking energy: -561.607 Base-Backbone interact. energy: -2.906 local terms energy: -598.257184 where: bonds (distance) C4'-P energy: -104.594 bonds (distance) P-C4' energy: -118.405 flat angles C4'-P-C4' energy: -133.479 flat angles P-C4'-P energy: -96.502 tors. eta vs tors. theta energy: -145.277 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: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1854.645793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.645793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.645793 (E_RNA) where: Base-Base interactions energy: -1293.282 where: short stacking energy: -544.748 Base-Backbone interact. energy: 0.695 local terms energy: -562.058937 where: bonds (distance) C4'-P energy: -99.733 bonds (distance) P-C4' energy: -115.537 flat angles C4'-P-C4' energy: -143.418 flat angles P-C4'-P energy: -67.414 tors. eta vs tors. theta energy: -135.957 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: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1709.225754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.225754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.225754 (E_RNA) where: Base-Base interactions energy: -1170.362 where: short stacking energy: -496.624 Base-Backbone interact. energy: -3.191 local terms energy: -535.672792 where: bonds (distance) C4'-P energy: -96.464 bonds (distance) P-C4' energy: -102.803 flat angles C4'-P-C4' energy: -117.308 flat angles P-C4'-P energy: -89.724 tors. eta vs tors. theta energy: -129.373 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: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1534.691260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.691260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.691260 (E_RNA) where: Base-Base interactions energy: -1028.104 where: short stacking energy: -441.500 Base-Backbone interact. energy: -1.495 local terms energy: -505.092518 where: bonds (distance) C4'-P energy: -119.546 bonds (distance) P-C4' energy: -108.298 flat angles C4'-P-C4' energy: -105.911 flat angles P-C4'-P energy: -75.124 tors. eta vs tors. theta energy: -96.214 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: 8 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1293.022140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.022140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.022140 (E_RNA) where: Base-Base interactions energy: -821.275 where: short stacking energy: -393.317 Base-Backbone interact. energy: -2.716 local terms energy: -469.032097 where: bonds (distance) C4'-P energy: -105.737 bonds (distance) P-C4' energy: -107.840 flat angles C4'-P-C4' energy: -115.001 flat angles P-C4'-P energy: -64.390 tors. eta vs tors. theta energy: -76.065 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: 8, replica: 5 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1172.179897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.179897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.179897 (E_RNA) where: Base-Base interactions energy: -705.138 where: short stacking energy: -345.767 Base-Backbone interact. energy: -1.308 local terms energy: -465.733311 where: bonds (distance) C4'-P energy: -114.771 bonds (distance) P-C4' energy: -115.596 flat angles C4'-P-C4' energy: -94.474 flat angles P-C4'-P energy: -72.606 tors. eta vs tors. theta energy: -68.287 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: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -852.039835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.039835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.039835 (E_RNA) where: Base-Base interactions energy: -481.228 where: short stacking energy: -265.767 Base-Backbone interact. energy: 2.291 local terms energy: -373.102435 where: bonds (distance) C4'-P energy: -102.235 bonds (distance) P-C4' energy: -90.918 flat angles C4'-P-C4' energy: -97.745 flat angles P-C4'-P energy: -51.768 tors. eta vs tors. theta energy: -30.437 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: 3 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -813.035236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.035236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.035236 (E_RNA) where: Base-Base interactions energy: -445.527 where: short stacking energy: -227.303 Base-Backbone interact. energy: -3.024 local terms energy: -364.483594 where: bonds (distance) C4'-P energy: -109.056 bonds (distance) P-C4' energy: -96.373 flat angles C4'-P-C4' energy: -96.969 flat angles P-C4'-P energy: -45.448 tors. eta vs tors. theta energy: -16.637 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: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2189.280358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.280358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.280358 (E_RNA) where: Base-Base interactions energy: -1530.245 where: short stacking energy: -633.492 Base-Backbone interact. energy: -2.605 local terms energy: -656.430027 where: bonds (distance) C4'-P energy: -114.843 bonds (distance) P-C4' energy: -126.224 flat angles C4'-P-C4' energy: -140.977 flat angles P-C4'-P energy: -89.862 tors. eta vs tors. theta energy: -184.524 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: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2078.444132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.444132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.444132 (E_RNA) where: Base-Base interactions energy: -1402.655 where: short stacking energy: -614.848 Base-Backbone interact. energy: -2.691 local terms energy: -673.097895 where: bonds (distance) C4'-P energy: -121.215 bonds (distance) P-C4' energy: -130.631 flat angles C4'-P-C4' energy: -140.361 flat angles P-C4'-P energy: -99.865 tors. eta vs tors. theta energy: -181.026 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: 3, replica: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1948.138477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.138477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.138477 (E_RNA) where: Base-Base interactions energy: -1314.434 where: short stacking energy: -554.519 Base-Backbone interact. energy: -2.582 local terms energy: -631.122255 where: bonds (distance) C4'-P energy: -112.966 bonds (distance) P-C4' energy: -123.374 flat angles C4'-P-C4' energy: -140.932 flat angles P-C4'-P energy: -97.942 tors. eta vs tors. theta energy: -155.908 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: 4, replica: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1823.145574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.145574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.145574 (E_RNA) where: Base-Base interactions energy: -1220.569 where: short stacking energy: -504.595 Base-Backbone interact. energy: 2.996 local terms energy: -605.572493 where: bonds (distance) C4'-P energy: -125.146 bonds (distance) P-C4' energy: -116.047 flat angles C4'-P-C4' energy: -139.547 flat angles P-C4'-P energy: -94.194 tors. eta vs tors. theta energy: -130.638 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: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1752.702302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.702302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.702302 (E_RNA) where: Base-Base interactions energy: -1214.701 where: short stacking energy: -505.966 Base-Backbone interact. energy: 1.697 local terms energy: -539.697868 where: bonds (distance) C4'-P energy: -84.105 bonds (distance) P-C4' energy: -125.587 flat angles C4'-P-C4' energy: -118.529 flat angles P-C4'-P energy: -77.096 tors. eta vs tors. theta energy: -134.381 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: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1557.711416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.711416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.711416 (E_RNA) where: Base-Base interactions energy: -1041.420 where: short stacking energy: -440.190 Base-Backbone interact. energy: 5.795 local terms energy: -522.086791 where: bonds (distance) C4'-P energy: -103.119 bonds (distance) P-C4' energy: -126.791 flat angles C4'-P-C4' energy: -128.469 flat angles P-C4'-P energy: -60.677 tors. eta vs tors. theta energy: -103.031 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: 165 Temperature: 1.200000 Total energy: -1295.941759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.941759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.941759 (E_RNA) where: Base-Base interactions energy: -830.093 where: short stacking energy: -394.254 Base-Backbone interact. energy: -2.843 local terms energy: -463.005606 where: bonds (distance) C4'-P energy: -102.367 bonds (distance) P-C4' energy: -104.440 flat angles C4'-P-C4' energy: -99.726 flat angles P-C4'-P energy: -68.865 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: 8, replica: 5 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1049.643816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.643816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.643816 (E_RNA) where: Base-Base interactions energy: -642.297 where: short stacking energy: -297.978 Base-Backbone interact. energy: 7.279 local terms energy: -414.626435 where: bonds (distance) C4'-P energy: -95.392 bonds (distance) P-C4' energy: -104.977 flat angles C4'-P-C4' energy: -90.215 flat angles P-C4'-P energy: -80.449 tors. eta vs tors. theta energy: -43.593 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: 9, replica: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -877.523312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.523312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.523312 (E_RNA) where: Base-Base interactions energy: -482.130 where: short stacking energy: -239.514 Base-Backbone interact. energy: 0.145 local terms energy: -395.538604 where: bonds (distance) C4'-P energy: -94.048 bonds (distance) P-C4' energy: -104.630 flat angles C4'-P-C4' energy: -95.109 flat angles P-C4'-P energy: -66.902 tors. eta vs tors. theta energy: -34.849 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: 3 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -817.386022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.386022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.386022 (E_RNA) where: Base-Base interactions energy: -487.618 where: short stacking energy: -246.102 Base-Backbone interact. energy: 4.283 local terms energy: -334.051738 where: bonds (distance) C4'-P energy: -82.184 bonds (distance) P-C4' energy: -92.285 flat angles C4'-P-C4' energy: -90.319 flat angles P-C4'-P energy: -60.420 tors. eta vs tors. theta energy: -8.844 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: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2186.668936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.668936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.668936 (E_RNA) where: Base-Base interactions energy: -1515.223 where: short stacking energy: -596.216 Base-Backbone interact. energy: -1.802 local terms energy: -669.644230 where: bonds (distance) C4'-P energy: -135.635 bonds (distance) P-C4' energy: -126.902 flat angles C4'-P-C4' energy: -144.124 flat angles P-C4'-P energy: -92.731 tors. eta vs tors. theta energy: -170.253 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: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2075.410777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.410777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.410777 (E_RNA) where: Base-Base interactions energy: -1425.293 where: short stacking energy: -641.513 Base-Backbone interact. energy: -1.563 local terms energy: -648.555603 where: bonds (distance) C4'-P energy: -125.759 bonds (distance) P-C4' energy: -116.485 flat angles C4'-P-C4' energy: -144.377 flat angles P-C4'-P energy: -84.783 tors. eta vs tors. theta energy: -177.151 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: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1962.614161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.614161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.614161 (E_RNA) where: Base-Base interactions energy: -1333.026 where: short stacking energy: -564.811 Base-Backbone interact. energy: -3.608 local terms energy: -625.980592 where: bonds (distance) C4'-P energy: -118.594 bonds (distance) P-C4' energy: -105.452 flat angles C4'-P-C4' energy: -144.194 flat angles P-C4'-P energy: -98.290 tors. eta vs tors. theta energy: -159.451 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: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1823.326263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.326263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.326263 (E_RNA) where: Base-Base interactions energy: -1230.872 where: short stacking energy: -534.508 Base-Backbone interact. energy: 1.599 local terms energy: -594.053499 where: bonds (distance) C4'-P energy: -123.205 bonds (distance) P-C4' energy: -127.325 flat angles C4'-P-C4' energy: -137.233 flat angles P-C4'-P energy: -66.796 tors. eta vs tors. theta energy: -139.495 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: 5, replica: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1807.525599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.525599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.525599 (E_RNA) where: Base-Base interactions energy: -1229.218 where: short stacking energy: -526.642 Base-Backbone interact. energy: -1.743 local terms energy: -576.564432 where: bonds (distance) C4'-P energy: -115.557 bonds (distance) P-C4' energy: -112.225 flat angles C4'-P-C4' energy: -128.670 flat angles P-C4'-P energy: -91.247 tors. eta vs tors. theta energy: -128.866 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: 6, replica: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1591.235342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.235342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.235342 (E_RNA) where: Base-Base interactions energy: -1079.556 where: short stacking energy: -433.258 Base-Backbone interact. energy: 2.076 local terms energy: -513.755063 where: bonds (distance) C4'-P energy: -106.483 bonds (distance) P-C4' energy: -110.004 flat angles C4'-P-C4' energy: -116.133 flat angles P-C4'-P energy: -82.652 tors. eta vs tors. theta energy: -98.483 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: 7, replica: 8 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1305.966688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.966688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.966688 (E_RNA) where: Base-Base interactions energy: -841.164 where: short stacking energy: -391.826 Base-Backbone interact. energy: -1.543 local terms energy: -463.260123 where: bonds (distance) C4'-P energy: -102.788 bonds (distance) P-C4' energy: -93.431 flat angles C4'-P-C4' energy: -104.031 flat angles P-C4'-P energy: -78.804 tors. eta vs tors. theta energy: -84.206 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: 5 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -992.546567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.546567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.546567 (E_RNA) where: Base-Base interactions energy: -590.934 where: short stacking energy: -279.937 Base-Backbone interact. energy: -2.295 local terms energy: -399.317273 where: bonds (distance) C4'-P energy: -109.964 bonds (distance) P-C4' energy: -111.175 flat angles C4'-P-C4' energy: -76.147 flat angles P-C4'-P energy: -66.416 tors. eta vs tors. theta energy: -35.616 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: 9, replica: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -850.607693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.607693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.607693 (E_RNA) where: Base-Base interactions energy: -503.663 where: short stacking energy: -232.180 Base-Backbone interact. energy: 2.639 local terms energy: -349.583219 where: bonds (distance) C4'-P energy: -98.245 bonds (distance) P-C4' energy: -100.851 flat angles C4'-P-C4' energy: -83.677 flat angles P-C4'-P energy: -59.112 tors. eta vs tors. theta energy: -7.698 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: 10, replica: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -882.798851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.798851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.798851 (E_RNA) where: Base-Base interactions energy: -527.805 where: short stacking energy: -253.983 Base-Backbone interact. energy: 4.720 local terms energy: -359.713973 where: bonds (distance) C4'-P energy: -89.060 bonds (distance) P-C4' energy: -102.491 flat angles C4'-P-C4' energy: -92.772 flat angles P-C4'-P energy: -51.831 tors. eta vs tors. theta energy: -23.560 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: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2205.063224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.063224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.063224 (E_RNA) where: Base-Base interactions energy: -1537.768 where: short stacking energy: -633.879 Base-Backbone interact. energy: -1.212 local terms energy: -666.082766 where: bonds (distance) C4'-P energy: -122.369 bonds (distance) P-C4' energy: -133.755 flat angles C4'-P-C4' energy: -141.341 flat angles P-C4'-P energy: -84.491 tors. eta vs tors. theta energy: -184.127 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: 167 Temperature: 0.950000 Total energy: -2074.229824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.229824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.229824 (E_RNA) where: Base-Base interactions energy: -1438.441 where: short stacking energy: -635.636 Base-Backbone interact. energy: -1.520 local terms energy: -634.268283 where: bonds (distance) C4'-P energy: -115.582 bonds (distance) P-C4' energy: -127.496 flat angles C4'-P-C4' energy: -132.327 flat angles P-C4'-P energy: -79.897 tors. eta vs tors. theta energy: -178.966 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: 3, replica: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1921.867708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.867708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.867708 (E_RNA) where: Base-Base interactions energy: -1327.754 where: short stacking energy: -560.586 Base-Backbone interact. energy: -2.799 local terms energy: -591.315020 where: bonds (distance) C4'-P energy: -105.787 bonds (distance) P-C4' energy: -120.831 flat angles C4'-P-C4' energy: -128.044 flat angles P-C4'-P energy: -85.661 tors. eta vs tors. theta energy: -150.991 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: 7 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1806.162850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.162850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.162850 (E_RNA) where: Base-Base interactions energy: -1204.587 where: short stacking energy: -522.914 Base-Backbone interact. energy: -1.867 local terms energy: -599.709168 where: bonds (distance) C4'-P energy: -119.263 bonds (distance) P-C4' energy: -124.904 flat angles C4'-P-C4' energy: -127.191 flat angles P-C4'-P energy: -80.825 tors. eta vs tors. theta energy: -147.526 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: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1777.215610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.215610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.215610 (E_RNA) where: Base-Base interactions energy: -1232.036 where: short stacking energy: -499.362 Base-Backbone interact. energy: 5.603 local terms energy: -550.782850 where: bonds (distance) C4'-P energy: -98.201 bonds (distance) P-C4' energy: -112.323 flat angles C4'-P-C4' energy: -136.371 flat angles P-C4'-P energy: -73.799 tors. eta vs tors. theta energy: -130.088 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: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1568.429933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.429933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.429933 (E_RNA) where: Base-Base interactions energy: -1060.889 where: short stacking energy: -433.641 Base-Backbone interact. energy: -2.963 local terms energy: -504.578425 where: bonds (distance) C4'-P energy: -117.573 bonds (distance) P-C4' energy: -103.735 flat angles C4'-P-C4' energy: -118.747 flat angles P-C4'-P energy: -62.961 tors. eta vs tors. theta energy: -101.562 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: 7, replica: 8 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1292.629755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.629755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.629755 (E_RNA) where: Base-Base interactions energy: -795.991 where: short stacking energy: -370.842 Base-Backbone interact. energy: -1.861 local terms energy: -494.778148 where: bonds (distance) C4'-P energy: -112.847 bonds (distance) P-C4' energy: -109.577 flat angles C4'-P-C4' energy: -121.857 flat angles P-C4'-P energy: -66.966 tors. eta vs tors. theta energy: -83.532 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: 8, replica: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -985.959982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.959982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.959982 (E_RNA) where: Base-Base interactions energy: -595.146 where: short stacking energy: -298.083 Base-Backbone interact. energy: -1.050 local terms energy: -389.763675 where: bonds (distance) C4'-P energy: -79.685 bonds (distance) P-C4' energy: -103.219 flat angles C4'-P-C4' energy: -87.514 flat angles P-C4'-P energy: -73.041 tors. eta vs tors. theta energy: -46.306 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: 9, replica: 3 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -871.974349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.974349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.974349 (E_RNA) where: Base-Base interactions energy: -509.918 where: short stacking energy: -256.044 Base-Backbone interact. energy: -0.230 local terms energy: -361.826420 where: bonds (distance) C4'-P energy: -78.028 bonds (distance) P-C4' energy: -108.745 flat angles C4'-P-C4' energy: -94.991 flat angles P-C4'-P energy: -62.444 tors. eta vs tors. theta energy: -17.618 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: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -894.475327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.475327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.475327 (E_RNA) where: Base-Base interactions energy: -544.944 where: short stacking energy: -268.977 Base-Backbone interact. energy: -1.190 local terms energy: -348.341071 where: bonds (distance) C4'-P energy: -88.803 bonds (distance) P-C4' energy: -85.230 flat angles C4'-P-C4' energy: -69.758 flat angles P-C4'-P energy: -59.504 tors. eta vs tors. theta energy: -45.046 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: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2228.870588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.870588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.870588 (E_RNA) where: Base-Base interactions energy: -1557.978 where: short stacking energy: -633.628 Base-Backbone interact. energy: -1.239 local terms energy: -669.654117 where: bonds (distance) C4'-P energy: -125.086 bonds (distance) P-C4' energy: -117.378 flat angles C4'-P-C4' energy: -143.062 flat angles P-C4'-P energy: -97.630 tors. eta vs tors. theta energy: -186.497 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: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2065.880599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.880599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.880599 (E_RNA) where: Base-Base interactions energy: -1398.539 where: short stacking energy: -619.683 Base-Backbone interact. energy: -2.885 local terms energy: -664.456353 where: bonds (distance) C4'-P energy: -115.822 bonds (distance) P-C4' energy: -131.960 flat angles C4'-P-C4' energy: -138.587 flat angles P-C4'-P energy: -96.574 tors. eta vs tors. theta energy: -181.513 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: 3, replica: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1969.679365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.679365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.679365 (E_RNA) where: Base-Base interactions energy: -1331.442 where: short stacking energy: -598.264 Base-Backbone interact. energy: -2.971 local terms energy: -635.266108 where: bonds (distance) C4'-P energy: -121.515 bonds (distance) P-C4' energy: -120.568 flat angles C4'-P-C4' energy: -136.546 flat angles P-C4'-P energy: -91.619 tors. eta vs tors. theta energy: -165.017 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: 4, replica: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1841.187312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.187312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.187312 (E_RNA) where: Base-Base interactions energy: -1238.524 where: short stacking energy: -540.398 Base-Backbone interact. energy: 1.294 local terms energy: -603.957180 where: bonds (distance) C4'-P energy: -110.033 bonds (distance) P-C4' energy: -120.657 flat angles C4'-P-C4' energy: -136.872 flat angles P-C4'-P energy: -82.110 tors. eta vs tors. theta energy: -154.285 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: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1757.926365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.926365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.926365 (E_RNA) where: Base-Base interactions energy: -1193.274 where: short stacking energy: -486.289 Base-Backbone interact. energy: -0.442 local terms energy: -564.210595 where: bonds (distance) C4'-P energy: -111.736 bonds (distance) P-C4' energy: -104.865 flat angles C4'-P-C4' energy: -129.474 flat angles P-C4'-P energy: -79.798 tors. eta vs tors. theta energy: -138.337 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: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1570.309476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.309476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.309476 (E_RNA) where: Base-Base interactions energy: -1045.552 where: short stacking energy: -423.056 Base-Backbone interact. energy: -3.785 local terms energy: -520.972029 where: bonds (distance) C4'-P energy: -110.470 bonds (distance) P-C4' energy: -117.347 flat angles C4'-P-C4' energy: -116.395 flat angles P-C4'-P energy: -75.961 tors. eta vs tors. theta energy: -100.800 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: 7, replica: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1288.443655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.443655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.443655 (E_RNA) where: Base-Base interactions energy: -824.470 where: short stacking energy: -390.305 Base-Backbone interact. energy: -2.975 local terms energy: -460.997956 where: bonds (distance) C4'-P energy: -94.263 bonds (distance) P-C4' energy: -94.647 flat angles C4'-P-C4' energy: -129.074 flat angles P-C4'-P energy: -71.022 tors. eta vs tors. theta energy: -71.992 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: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -986.714712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.714712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.714712 (E_RNA) where: Base-Base interactions energy: -549.660 where: short stacking energy: -291.969 Base-Backbone interact. energy: 1.308 local terms energy: -438.362148 where: bonds (distance) C4'-P energy: -102.341 bonds (distance) P-C4' energy: -125.719 flat angles C4'-P-C4' energy: -101.166 flat angles P-C4'-P energy: -68.579 tors. eta vs tors. theta energy: -40.558 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: 9, replica: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -941.407218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.407218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.407218 (E_RNA) where: Base-Base interactions energy: -564.179 where: short stacking energy: -265.750 Base-Backbone interact. energy: -0.499 local terms energy: -376.729078 where: bonds (distance) C4'-P energy: -84.628 bonds (distance) P-C4' energy: -95.686 flat angles C4'-P-C4' energy: -92.935 flat angles P-C4'-P energy: -70.204 tors. eta vs tors. theta energy: -33.276 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: 3 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -854.858670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.858670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.858670 (E_RNA) where: Base-Base interactions energy: -481.836 where: short stacking energy: -220.689 Base-Backbone interact. energy: 0.684 local terms energy: -373.706555 where: bonds (distance) C4'-P energy: -93.833 bonds (distance) P-C4' energy: -107.515 flat angles C4'-P-C4' energy: -91.876 flat angles P-C4'-P energy: -70.206 tors. eta vs tors. theta energy: -10.275 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: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2231.610882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.610882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.610882 (E_RNA) where: Base-Base interactions energy: -1571.143 where: short stacking energy: -645.989 Base-Backbone interact. energy: -2.089 local terms energy: -658.379485 where: bonds (distance) C4'-P energy: -124.513 bonds (distance) P-C4' energy: -119.902 flat angles C4'-P-C4' energy: -149.966 flat angles P-C4'-P energy: -81.364 tors. eta vs tors. theta energy: -182.634 Dist. restrs. and SS energy: 0.000 (S_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: -2075.354887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.354887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.354887 (E_RNA) where: Base-Base interactions energy: -1398.415 where: short stacking energy: -615.211 Base-Backbone interact. energy: -0.250 local terms energy: -676.689904 where: bonds (distance) C4'-P energy: -126.703 bonds (distance) P-C4' energy: -129.918 flat angles C4'-P-C4' energy: -140.268 flat angles P-C4'-P energy: -93.799 tors. eta vs tors. theta energy: -186.003 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: 3, replica: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1959.101835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.101835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.101835 (E_RNA) where: Base-Base interactions energy: -1346.066 where: short stacking energy: -557.288 Base-Backbone interact. energy: -3.997 local terms energy: -609.038994 where: bonds (distance) C4'-P energy: -113.017 bonds (distance) P-C4' energy: -115.632 flat angles C4'-P-C4' energy: -131.828 flat angles P-C4'-P energy: -88.833 tors. eta vs tors. theta energy: -159.729 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: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1810.316451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.316451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.316451 (E_RNA) where: Base-Base interactions energy: -1240.588 where: short stacking energy: -518.190 Base-Backbone interact. energy: 0.741 local terms energy: -570.469175 where: bonds (distance) C4'-P energy: -118.674 bonds (distance) P-C4' energy: -125.745 flat angles C4'-P-C4' energy: -116.115 flat angles P-C4'-P energy: -82.254 tors. eta vs tors. theta energy: -127.681 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: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1787.410967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.410967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.410967 (E_RNA) where: Base-Base interactions energy: -1224.734 where: short stacking energy: -527.570 Base-Backbone interact. energy: -1.990 local terms energy: -560.686356 where: bonds (distance) C4'-P energy: -115.520 bonds (distance) P-C4' energy: -104.244 flat angles C4'-P-C4' energy: -122.022 flat angles P-C4'-P energy: -70.747 tors. eta vs tors. theta energy: -148.154 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: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1547.228353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.228353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.228353 (E_RNA) where: Base-Base interactions energy: -1044.180 where: short stacking energy: -466.943 Base-Backbone interact. energy: 1.899 local terms energy: -504.947995 where: bonds (distance) C4'-P energy: -100.457 bonds (distance) P-C4' energy: -109.178 flat angles C4'-P-C4' energy: -109.432 flat angles P-C4'-P energy: -73.081 tors. eta vs tors. theta energy: -112.801 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: 7, replica: 8 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1298.402527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.402527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.402527 (E_RNA) where: Base-Base interactions energy: -803.796 where: short stacking energy: -390.932 Base-Backbone interact. energy: -0.999 local terms energy: -493.607076 where: bonds (distance) C4'-P energy: -101.155 bonds (distance) P-C4' energy: -109.998 flat angles C4'-P-C4' energy: -115.187 flat angles P-C4'-P energy: -75.363 tors. eta vs tors. theta energy: -91.904 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: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1014.864583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.864583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.864583 (E_RNA) where: Base-Base interactions energy: -602.078 where: short stacking energy: -296.452 Base-Backbone interact. energy: 0.028 local terms energy: -412.815515 where: bonds (distance) C4'-P energy: -103.417 bonds (distance) P-C4' energy: -106.799 flat angles C4'-P-C4' energy: -92.805 flat angles P-C4'-P energy: -68.219 tors. eta vs tors. theta energy: -41.575 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: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -896.002341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.002341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.002341 (E_RNA) where: Base-Base interactions energy: -499.170 where: short stacking energy: -251.484 Base-Backbone interact. energy: -2.376 local terms energy: -394.456494 where: bonds (distance) C4'-P energy: -104.278 bonds (distance) P-C4' energy: -121.586 flat angles C4'-P-C4' energy: -88.547 flat angles P-C4'-P energy: -49.571 tors. eta vs tors. theta energy: -30.474 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: 10, replica: 3 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -861.431494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.431494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.431494 (E_RNA) where: Base-Base interactions energy: -506.799 where: short stacking energy: -241.300 Base-Backbone interact. energy: 5.816 local terms energy: -360.448020 where: bonds (distance) C4'-P energy: -81.775 bonds (distance) P-C4' energy: -100.853 flat angles C4'-P-C4' energy: -103.380 flat angles P-C4'-P energy: -64.424 tors. eta vs tors. theta energy: -10.015 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: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2218.741727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.741727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.741727 (E_RNA) where: Base-Base interactions energy: -1570.847 where: short stacking energy: -633.807 Base-Backbone interact. energy: -5.847 local terms energy: -642.047917 where: bonds (distance) C4'-P energy: -115.096 bonds (distance) P-C4' energy: -120.225 flat angles C4'-P-C4' energy: -136.504 flat angles P-C4'-P energy: -89.306 tors. eta vs tors. theta energy: -180.918 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: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2063.678481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.678481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.678481 (E_RNA) where: Base-Base interactions energy: -1397.395 where: short stacking energy: -624.602 Base-Backbone interact. energy: -3.278 local terms energy: -663.004608 where: bonds (distance) C4'-P energy: -104.422 bonds (distance) P-C4' energy: -127.946 flat angles C4'-P-C4' energy: -143.129 flat angles P-C4'-P energy: -97.328 tors. eta vs tors. theta energy: -190.180 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: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1951.525311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.525311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.525311 (E_RNA) where: Base-Base interactions energy: -1356.927 where: short stacking energy: -563.476 Base-Backbone interact. energy: -1.892 local terms energy: -592.706391 where: bonds (distance) C4'-P energy: -121.801 bonds (distance) P-C4' energy: -99.379 flat angles C4'-P-C4' energy: -140.598 flat angles P-C4'-P energy: -83.375 tors. eta vs tors. theta energy: -147.553 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: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1831.560100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.560100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.560100 (E_RNA) where: Base-Base interactions energy: -1234.068 where: short stacking energy: -501.351 Base-Backbone interact. energy: -4.878 local terms energy: -592.614669 where: bonds (distance) C4'-P energy: -122.330 bonds (distance) P-C4' energy: -116.557 flat angles C4'-P-C4' energy: -132.735 flat angles P-C4'-P energy: -86.957 tors. eta vs tors. theta energy: -134.036 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: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1773.613211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.613211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.613211 (E_RNA) where: Base-Base interactions energy: -1226.587 where: short stacking energy: -530.929 Base-Backbone interact. energy: 1.773 local terms energy: -548.799331 where: bonds (distance) C4'-P energy: -98.890 bonds (distance) P-C4' energy: -100.731 flat angles C4'-P-C4' energy: -117.672 flat angles P-C4'-P energy: -81.418 tors. eta vs tors. theta energy: -150.088 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: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1558.820634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.820634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.820634 (E_RNA) where: Base-Base interactions energy: -1025.637 where: short stacking energy: -429.121 Base-Backbone interact. energy: -1.029 local terms energy: -532.153862 where: bonds (distance) C4'-P energy: -121.458 bonds (distance) P-C4' energy: -120.381 flat angles C4'-P-C4' energy: -99.283 flat angles P-C4'-P energy: -83.914 tors. eta vs tors. theta energy: -107.117 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: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1290.383321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.383321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.383321 (E_RNA) where: Base-Base interactions energy: -812.745 where: short stacking energy: -379.074 Base-Backbone interact. energy: 0.667 local terms energy: -478.304726 where: bonds (distance) C4'-P energy: -102.707 bonds (distance) P-C4' energy: -111.606 flat angles C4'-P-C4' energy: -119.580 flat angles P-C4'-P energy: -63.633 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: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1034.813751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.813751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.813751 (E_RNA) where: Base-Base interactions energy: -577.236 where: short stacking energy: -298.025 Base-Backbone interact. energy: -0.455 local terms energy: -457.122807 where: bonds (distance) C4'-P energy: -107.336 bonds (distance) P-C4' energy: -119.111 flat angles C4'-P-C4' energy: -117.722 flat angles P-C4'-P energy: -55.098 tors. eta vs tors. theta energy: -57.856 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: 9, replica: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -858.348305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.348305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.348305 (E_RNA) where: Base-Base interactions energy: -475.169 where: short stacking energy: -250.166 Base-Backbone interact. energy: -1.442 local terms energy: -381.736617 where: bonds (distance) C4'-P energy: -98.260 bonds (distance) P-C4' energy: -102.882 flat angles C4'-P-C4' energy: -96.524 flat angles P-C4'-P energy: -54.676 tors. eta vs tors. theta energy: -29.395 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: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -799.037187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.037187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.037187 (E_RNA) where: Base-Base interactions energy: -443.438 where: short stacking energy: -239.152 Base-Backbone interact. energy: 6.677 local terms energy: -362.276273 where: bonds (distance) C4'-P energy: -74.635 bonds (distance) P-C4' energy: -109.617 flat angles C4'-P-C4' energy: -84.411 flat angles P-C4'-P energy: -69.324 tors. eta vs tors. theta energy: -24.290 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: 1, replica: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2222.104599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.104599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.104599 (E_RNA) where: Base-Base interactions energy: -1557.988 where: short stacking energy: -625.955 Base-Backbone interact. energy: -2.551 local terms energy: -661.566499 where: bonds (distance) C4'-P energy: -115.447 bonds (distance) P-C4' energy: -126.299 flat angles C4'-P-C4' energy: -142.108 flat angles P-C4'-P energy: -97.431 tors. eta vs tors. theta energy: -180.283 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: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2091.473645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.473645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.473645 (E_RNA) where: Base-Base interactions energy: -1418.023 where: short stacking energy: -633.012 Base-Backbone interact. energy: -1.890 local terms energy: -671.560904 where: bonds (distance) C4'-P energy: -123.436 bonds (distance) P-C4' energy: -123.683 flat angles C4'-P-C4' energy: -144.097 flat angles P-C4'-P energy: -93.748 tors. eta vs tors. theta energy: -186.597 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: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1974.548687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.548687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.548687 (E_RNA) where: Base-Base interactions energy: -1338.593 where: short stacking energy: -573.717 Base-Backbone interact. energy: -3.040 local terms energy: -632.915712 where: bonds (distance) C4'-P energy: -130.421 bonds (distance) P-C4' energy: -112.302 flat angles C4'-P-C4' energy: -136.660 flat angles P-C4'-P energy: -90.995 tors. eta vs tors. theta energy: -162.538 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: 4, replica: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1813.377872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.377872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.377872 (E_RNA) where: Base-Base interactions energy: -1244.680 where: short stacking energy: -517.153 Base-Backbone interact. energy: -2.949 local terms energy: -565.748665 where: bonds (distance) C4'-P energy: -104.534 bonds (distance) P-C4' energy: -119.726 flat angles C4'-P-C4' energy: -126.895 flat angles P-C4'-P energy: -78.377 tors. eta vs tors. theta energy: -136.217 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: 5, replica: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1729.886258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.886258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.886258 (E_RNA) where: Base-Base interactions energy: -1157.365 where: short stacking energy: -506.965 Base-Backbone interact. energy: -3.569 local terms energy: -568.952736 where: bonds (distance) C4'-P energy: -105.255 bonds (distance) P-C4' energy: -125.467 flat angles C4'-P-C4' energy: -125.980 flat angles P-C4'-P energy: -67.530 tors. eta vs tors. theta energy: -144.720 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: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1533.261979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.261979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.261979 (E_RNA) where: Base-Base interactions energy: -1023.308 where: short stacking energy: -428.887 Base-Backbone interact. energy: 5.860 local terms energy: -515.813948 where: bonds (distance) C4'-P energy: -106.398 bonds (distance) P-C4' energy: -116.108 flat angles C4'-P-C4' energy: -117.834 flat angles P-C4'-P energy: -71.126 tors. eta vs tors. theta energy: -104.347 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: 7, replica: 8 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1285.890013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.890013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.890013 (E_RNA) where: Base-Base interactions energy: -819.168 where: short stacking energy: -349.384 Base-Backbone interact. energy: -1.016 local terms energy: -465.705809 where: bonds (distance) C4'-P energy: -107.224 bonds (distance) P-C4' energy: -100.525 flat angles C4'-P-C4' energy: -120.150 flat angles P-C4'-P energy: -67.451 tors. eta vs tors. theta energy: -70.356 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: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -995.332477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.332477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.332477 (E_RNA) where: Base-Base interactions energy: -606.964 where: short stacking energy: -323.513 Base-Backbone interact. energy: -0.935 local terms energy: -387.433294 where: bonds (distance) C4'-P energy: -80.013 bonds (distance) P-C4' energy: -101.579 flat angles C4'-P-C4' energy: -110.665 flat angles P-C4'-P energy: -42.392 tors. eta vs tors. theta energy: -52.784 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: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -861.497768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.497768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.497768 (E_RNA) where: Base-Base interactions energy: -472.306 where: short stacking energy: -246.871 Base-Backbone interact. energy: -0.666 local terms energy: -388.525837 where: bonds (distance) C4'-P energy: -106.625 bonds (distance) P-C4' energy: -110.864 flat angles C4'-P-C4' energy: -76.913 flat angles P-C4'-P energy: -53.363 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: 10, replica: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -766.059969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.059969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.059969 (E_RNA) where: Base-Base interactions energy: -387.409 where: short stacking energy: -184.331 Base-Backbone interact. energy: -2.533 local terms energy: -376.117774 where: bonds (distance) C4'-P energy: -101.888 bonds (distance) P-C4' energy: -107.713 flat angles C4'-P-C4' energy: -112.103 flat angles P-C4'-P energy: -65.267 tors. eta vs tors. theta energy: 10.854 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: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2227.128372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.128372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.128372 (E_RNA) where: Base-Base interactions energy: -1542.405 where: short stacking energy: -617.960 Base-Backbone interact. energy: -3.358 local terms energy: -681.365553 where: bonds (distance) C4'-P energy: -129.535 bonds (distance) P-C4' energy: -127.907 flat angles C4'-P-C4' energy: -142.364 flat angles P-C4'-P energy: -103.176 tors. eta vs tors. theta energy: -178.384 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: 2, replica: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2066.535477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.535477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.535477 (E_RNA) where: Base-Base interactions energy: -1402.213 where: short stacking energy: -616.525 Base-Backbone interact. energy: -2.965 local terms energy: -661.357306 where: bonds (distance) C4'-P energy: -137.702 bonds (distance) P-C4' energy: -122.320 flat angles C4'-P-C4' energy: -129.344 flat angles P-C4'-P energy: -92.302 tors. eta vs tors. theta energy: -179.689 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: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1972.701132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.701132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.701132 (E_RNA) where: Base-Base interactions energy: -1360.456 where: short stacking energy: -564.475 Base-Backbone interact. energy: 2.267 local terms energy: -614.512466 where: bonds (distance) C4'-P energy: -110.381 bonds (distance) P-C4' energy: -115.709 flat angles C4'-P-C4' energy: -129.359 flat angles P-C4'-P energy: -97.063 tors. eta vs tors. theta energy: -162.001 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: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1801.391440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.391440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.391440 (E_RNA) where: Base-Base interactions energy: -1239.041 where: short stacking energy: -503.492 Base-Backbone interact. energy: 0.554 local terms energy: -562.904342 where: bonds (distance) C4'-P energy: -101.109 bonds (distance) P-C4' energy: -118.709 flat angles C4'-P-C4' energy: -131.771 flat angles P-C4'-P energy: -79.431 tors. eta vs tors. theta energy: -131.885 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: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1730.660370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.660370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.660370 (E_RNA) where: Base-Base interactions energy: -1157.550 where: short stacking energy: -527.326 Base-Backbone interact. energy: -0.937 local terms energy: -572.173184 where: bonds (distance) C4'-P energy: -105.604 bonds (distance) P-C4' energy: -116.330 flat angles C4'-P-C4' energy: -122.378 flat angles P-C4'-P energy: -84.413 tors. eta vs tors. theta energy: -143.448 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: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1600.586576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.586576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.586576 (E_RNA) where: Base-Base interactions energy: -1083.980 where: short stacking energy: -465.199 Base-Backbone interact. energy: -3.134 local terms energy: -513.472430 where: bonds (distance) C4'-P energy: -105.324 bonds (distance) P-C4' energy: -104.030 flat angles C4'-P-C4' energy: -111.959 flat angles P-C4'-P energy: -86.824 tors. eta vs tors. theta energy: -105.337 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: 7, replica: 8 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1310.461065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.461065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.461065 (E_RNA) where: Base-Base interactions energy: -809.927 where: short stacking energy: -361.994 Base-Backbone interact. energy: 2.265 local terms energy: -502.799120 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -101.952 flat angles C4'-P-C4' energy: -123.562 flat angles P-C4'-P energy: -70.106 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: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1015.337374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.337374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.337374 (E_RNA) where: Base-Base interactions energy: -590.180 where: short stacking energy: -303.708 Base-Backbone interact. energy: -0.332 local terms energy: -424.825098 where: bonds (distance) C4'-P energy: -103.533 bonds (distance) P-C4' energy: -97.070 flat angles C4'-P-C4' energy: -108.504 flat angles P-C4'-P energy: -69.725 tors. eta vs tors. theta energy: -45.993 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: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -874.259573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.259573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.259573 (E_RNA) where: Base-Base interactions energy: -501.702 where: short stacking energy: -256.833 Base-Backbone interact. energy: -1.013 local terms energy: -371.544418 where: bonds (distance) C4'-P energy: -105.621 bonds (distance) P-C4' energy: -92.374 flat angles C4'-P-C4' energy: -95.885 flat angles P-C4'-P energy: -48.624 tors. eta vs tors. theta energy: -29.040 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: 5 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -814.133596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.133596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.133596 (E_RNA) where: Base-Base interactions energy: -475.514 where: short stacking energy: -226.382 Base-Backbone interact. energy: -0.768 local terms energy: -337.851933 where: bonds (distance) C4'-P energy: -103.444 bonds (distance) P-C4' energy: -108.857 flat angles C4'-P-C4' energy: -64.873 flat angles P-C4'-P energy: -46.751 tors. eta vs tors. theta energy: -13.925 Dist. restrs. and SS energy: 0.000 (S_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: 173 Temperature: 0.900000 Total energy: -2207.344290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.344290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.344290 (E_RNA) where: Base-Base interactions energy: -1545.831 where: short stacking energy: -639.127 Base-Backbone interact. energy: -4.771 local terms energy: -656.742216 where: bonds (distance) C4'-P energy: -115.542 bonds (distance) P-C4' energy: -122.686 flat angles C4'-P-C4' energy: -142.124 flat angles P-C4'-P energy: -89.944 tors. eta vs tors. theta energy: -186.445 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: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2070.990445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.990445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.990445 (E_RNA) where: Base-Base interactions energy: -1403.481 where: short stacking energy: -607.663 Base-Backbone interact. energy: -2.694 local terms energy: -664.815131 where: bonds (distance) C4'-P energy: -121.221 bonds (distance) P-C4' energy: -126.064 flat angles C4'-P-C4' energy: -137.120 flat angles P-C4'-P energy: -101.204 tors. eta vs tors. theta energy: -179.206 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: 3, replica: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1942.842792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.842792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.842792 (E_RNA) where: Base-Base interactions energy: -1321.859 where: short stacking energy: -549.031 Base-Backbone interact. energy: -2.890 local terms energy: -618.094100 where: bonds (distance) C4'-P energy: -123.557 bonds (distance) P-C4' energy: -117.675 flat angles C4'-P-C4' energy: -130.486 flat angles P-C4'-P energy: -88.823 tors. eta vs tors. theta energy: -157.553 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: 4, replica: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1826.985395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.985395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.985395 (E_RNA) where: Base-Base interactions energy: -1260.115 where: short stacking energy: -517.316 Base-Backbone interact. energy: -0.744 local terms energy: -566.126528 where: bonds (distance) C4'-P energy: -116.056 bonds (distance) P-C4' energy: -112.545 flat angles C4'-P-C4' energy: -116.228 flat angles P-C4'-P energy: -83.361 tors. eta vs tors. theta energy: -137.936 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: 5, replica: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1701.009784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.009784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.009784 (E_RNA) where: Base-Base interactions energy: -1142.217 where: short stacking energy: -504.977 Base-Backbone interact. energy: -2.006 local terms energy: -556.786971 where: bonds (distance) C4'-P energy: -116.785 bonds (distance) P-C4' energy: -122.460 flat angles C4'-P-C4' energy: -116.943 flat angles P-C4'-P energy: -69.490 tors. eta vs tors. theta energy: -131.109 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: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1528.150063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.150063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.150063 (E_RNA) where: Base-Base interactions energy: -1034.413 where: short stacking energy: -408.495 Base-Backbone interact. energy: -2.613 local terms energy: -491.124785 where: bonds (distance) C4'-P energy: -118.256 bonds (distance) P-C4' energy: -130.308 flat angles C4'-P-C4' energy: -92.043 flat angles P-C4'-P energy: -69.504 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: 7, replica: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1253.607798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.607798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.607798 (E_RNA) where: Base-Base interactions energy: -784.385 where: short stacking energy: -375.182 Base-Backbone interact. energy: -2.805 local terms energy: -466.417947 where: bonds (distance) C4'-P energy: -85.121 bonds (distance) P-C4' energy: -114.267 flat angles C4'-P-C4' energy: -98.933 flat angles P-C4'-P energy: -75.297 tors. eta vs tors. theta energy: -92.799 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: 8, replica: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -978.683981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.683981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.683981 (E_RNA) where: Base-Base interactions energy: -569.624 where: short stacking energy: -258.316 Base-Backbone interact. energy: 0.519 local terms energy: -409.578734 where: bonds (distance) C4'-P energy: -99.099 bonds (distance) P-C4' energy: -111.694 flat angles C4'-P-C4' energy: -104.700 flat angles P-C4'-P energy: -48.823 tors. eta vs tors. theta energy: -45.263 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: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -898.734514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.734514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.734514 (E_RNA) where: Base-Base interactions energy: -486.157 where: short stacking energy: -246.129 Base-Backbone interact. energy: -0.800 local terms energy: -411.776609 where: bonds (distance) C4'-P energy: -114.085 bonds (distance) P-C4' energy: -116.331 flat angles C4'-P-C4' energy: -78.916 flat angles P-C4'-P energy: -60.987 tors. eta vs tors. theta energy: -41.458 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: 10, replica: 5 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -709.088761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.088761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.088761 (E_RNA) where: Base-Base interactions energy: -372.807 where: short stacking energy: -204.981 Base-Backbone interact. energy: -3.062 local terms energy: -333.219871 where: bonds (distance) C4'-P energy: -84.731 bonds (distance) P-C4' energy: -112.488 flat angles C4'-P-C4' energy: -84.415 flat angles P-C4'-P energy: -46.100 tors. eta vs tors. theta energy: -5.485 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: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2234.599482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.599482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.599482 (E_RNA) where: Base-Base interactions energy: -1553.131 where: short stacking energy: -638.757 Base-Backbone interact. energy: -3.217 local terms energy: -678.251403 where: bonds (distance) C4'-P energy: -135.575 bonds (distance) P-C4' energy: -121.310 flat angles C4'-P-C4' energy: -137.214 flat angles P-C4'-P energy: -99.245 tors. eta vs tors. theta energy: -184.907 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: 2, replica: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2042.992114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.992114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.992114 (E_RNA) where: Base-Base interactions energy: -1360.432 where: short stacking energy: -590.519 Base-Backbone interact. energy: -4.621 local terms energy: -677.939030 where: bonds (distance) C4'-P energy: -122.178 bonds (distance) P-C4' energy: -122.563 flat angles C4'-P-C4' energy: -142.877 flat angles P-C4'-P energy: -110.488 tors. eta vs tors. theta energy: -179.833 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: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1891.255264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.255264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.255264 (E_RNA) where: Base-Base interactions energy: -1295.345 where: short stacking energy: -559.453 Base-Backbone interact. energy: 1.640 local terms energy: -597.550057 where: bonds (distance) C4'-P energy: -101.863 bonds (distance) P-C4' energy: -103.795 flat angles C4'-P-C4' energy: -134.779 flat angles P-C4'-P energy: -94.912 tors. eta vs tors. theta energy: -162.200 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: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1806.783928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.783928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.783928 (E_RNA) where: Base-Base interactions energy: -1240.525 where: short stacking energy: -515.081 Base-Backbone interact. energy: -3.886 local terms energy: -562.373116 where: bonds (distance) C4'-P energy: -111.192 bonds (distance) P-C4' energy: -105.903 flat angles C4'-P-C4' energy: -134.340 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -138.196 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: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1766.341884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.341884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.341884 (E_RNA) where: Base-Base interactions energy: -1200.330 where: short stacking energy: -529.201 Base-Backbone interact. energy: 2.854 local terms energy: -568.865925 where: bonds (distance) C4'-P energy: -102.838 bonds (distance) P-C4' energy: -110.322 flat angles C4'-P-C4' energy: -115.667 flat angles P-C4'-P energy: -87.385 tors. eta vs tors. theta energy: -152.654 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: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1538.540825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.540825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.540825 (E_RNA) where: Base-Base interactions energy: -1019.461 where: short stacking energy: -446.535 Base-Backbone interact. energy: -2.126 local terms energy: -516.954235 where: bonds (distance) C4'-P energy: -108.724 bonds (distance) P-C4' energy: -130.196 flat angles C4'-P-C4' energy: -104.922 flat angles P-C4'-P energy: -68.130 tors. eta vs tors. theta energy: -104.982 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: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1319.678071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.678071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.678071 (E_RNA) where: Base-Base interactions energy: -852.838 where: short stacking energy: -384.846 Base-Backbone interact. energy: -0.267 local terms energy: -466.573362 where: bonds (distance) C4'-P energy: -95.527 bonds (distance) P-C4' energy: -107.409 flat angles C4'-P-C4' energy: -124.183 flat angles P-C4'-P energy: -46.390 tors. eta vs tors. theta energy: -93.065 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: 8, replica: 2 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -997.125351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.125351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.125351 (E_RNA) where: Base-Base interactions energy: -566.524 where: short stacking energy: -283.071 Base-Backbone interact. energy: 2.038 local terms energy: -432.639272 where: bonds (distance) C4'-P energy: -107.865 bonds (distance) P-C4' energy: -120.935 flat angles C4'-P-C4' energy: -94.289 flat angles P-C4'-P energy: -63.272 tors. eta vs tors. theta energy: -46.279 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: 9, replica: 3 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -878.440431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.440431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.440431 (E_RNA) where: Base-Base interactions energy: -473.208 where: short stacking energy: -238.773 Base-Backbone interact. energy: -2.037 local terms energy: -403.194837 where: bonds (distance) C4'-P energy: -95.394 bonds (distance) P-C4' energy: -109.746 flat angles C4'-P-C4' energy: -111.893 flat angles P-C4'-P energy: -60.922 tors. eta vs tors. theta energy: -25.240 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: 10, replica: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -648.445075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.445075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.445075 (E_RNA) where: Base-Base interactions energy: -304.451 where: short stacking energy: -165.330 Base-Backbone interact. energy: -0.443 local terms energy: -343.551784 where: bonds (distance) C4'-P energy: -98.893 bonds (distance) P-C4' energy: -101.823 flat angles C4'-P-C4' energy: -99.348 flat angles P-C4'-P energy: -51.395 tors. eta vs tors. theta energy: 7.907 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: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2222.941147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.941147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.941147 (E_RNA) where: Base-Base interactions energy: -1551.516 where: short stacking energy: -629.049 Base-Backbone interact. energy: -3.078 local terms energy: -668.346510 where: bonds (distance) C4'-P energy: -119.573 bonds (distance) P-C4' energy: -126.335 flat angles C4'-P-C4' energy: -145.250 flat angles P-C4'-P energy: -98.053 tors. eta vs tors. theta energy: -179.135 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: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2020.196185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.196185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.196185 (E_RNA) where: Base-Base interactions energy: -1375.083 where: short stacking energy: -620.922 Base-Backbone interact. energy: -2.437 local terms energy: -642.675842 where: bonds (distance) C4'-P energy: -132.079 bonds (distance) P-C4' energy: -111.588 flat angles C4'-P-C4' energy: -131.853 flat angles P-C4'-P energy: -84.878 tors. eta vs tors. theta energy: -182.278 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: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1940.250159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.250159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.250159 (E_RNA) where: Base-Base interactions energy: -1336.981 where: short stacking energy: -562.134 Base-Backbone interact. energy: 0.004 local terms energy: -603.273374 where: bonds (distance) C4'-P energy: -114.403 bonds (distance) P-C4' energy: -112.473 flat angles C4'-P-C4' energy: -135.314 flat angles P-C4'-P energy: -89.870 tors. eta vs tors. theta energy: -151.213 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: 4, replica: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1822.483283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.483283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.483283 (E_RNA) where: Base-Base interactions energy: -1259.041 where: short stacking energy: -522.589 Base-Backbone interact. energy: -2.685 local terms energy: -560.757238 where: bonds (distance) C4'-P energy: -116.715 bonds (distance) P-C4' energy: -109.267 flat angles C4'-P-C4' energy: -120.567 flat angles P-C4'-P energy: -83.363 tors. eta vs tors. theta energy: -130.844 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: 5, replica: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1793.863333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.863333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.863333 (E_RNA) where: Base-Base interactions energy: -1201.303 where: short stacking energy: -517.373 Base-Backbone interact. energy: 1.407 local terms energy: -593.967509 where: bonds (distance) C4'-P energy: -127.865 bonds (distance) P-C4' energy: -123.258 flat angles C4'-P-C4' energy: -121.931 flat angles P-C4'-P energy: -80.478 tors. eta vs tors. theta energy: -140.436 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: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1550.128792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.128792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.128792 (E_RNA) where: Base-Base interactions energy: -1030.037 where: short stacking energy: -461.874 Base-Backbone interact. energy: -3.430 local terms energy: -516.661833 where: bonds (distance) C4'-P energy: -90.994 bonds (distance) P-C4' energy: -114.231 flat angles C4'-P-C4' energy: -122.972 flat angles P-C4'-P energy: -74.252 tors. eta vs tors. theta energy: -114.214 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: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1357.405277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.405277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.405277 (E_RNA) where: Base-Base interactions energy: -871.598 where: short stacking energy: -396.597 Base-Backbone interact. energy: 0.663 local terms energy: -486.470568 where: bonds (distance) C4'-P energy: -103.476 bonds (distance) P-C4' energy: -99.825 flat angles C4'-P-C4' energy: -114.021 flat angles P-C4'-P energy: -79.904 tors. eta vs tors. theta energy: -89.245 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: 8, replica: 3 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -924.412432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.412432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.412432 (E_RNA) where: Base-Base interactions energy: -527.525 where: short stacking energy: -291.803 Base-Backbone interact. energy: 0.415 local terms energy: -397.301795 where: bonds (distance) C4'-P energy: -120.718 bonds (distance) P-C4' energy: -105.509 flat angles C4'-P-C4' energy: -101.997 flat angles P-C4'-P energy: -40.839 tors. eta vs tors. theta energy: -28.240 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: 9, replica: 2 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -942.416874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.416874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.416874 (E_RNA) where: Base-Base interactions energy: -554.077 where: short stacking energy: -272.222 Base-Backbone interact. energy: 1.502 local terms energy: -389.841532 where: bonds (distance) C4'-P energy: -94.305 bonds (distance) P-C4' energy: -103.664 flat angles C4'-P-C4' energy: -97.964 flat angles P-C4'-P energy: -54.795 tors. eta vs tors. theta energy: -39.114 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: 10, replica: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -613.062638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.062638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.062638 (E_RNA) where: Base-Base interactions energy: -281.118 where: short stacking energy: -142.198 Base-Backbone interact. energy: -2.310 local terms energy: -329.634442 where: bonds (distance) C4'-P energy: -95.439 bonds (distance) P-C4' energy: -97.913 flat angles C4'-P-C4' energy: -84.433 flat angles P-C4'-P energy: -62.313 tors. eta vs tors. theta energy: 10.464 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: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2228.220443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.220443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.220443 (E_RNA) where: Base-Base interactions energy: -1546.744 where: short stacking energy: -624.128 Base-Backbone interact. energy: -5.457 local terms energy: -676.019611 where: bonds (distance) C4'-P energy: -126.202 bonds (distance) P-C4' energy: -125.663 flat angles C4'-P-C4' energy: -146.124 flat angles P-C4'-P energy: -93.181 tors. eta vs tors. theta energy: -184.849 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: 2, replica: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2056.316752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.316752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.316752 (E_RNA) where: Base-Base interactions energy: -1396.591 where: short stacking energy: -615.548 Base-Backbone interact. energy: -3.529 local terms energy: -656.197137 where: bonds (distance) C4'-P energy: -112.414 bonds (distance) P-C4' energy: -133.751 flat angles C4'-P-C4' energy: -141.217 flat angles P-C4'-P energy: -98.085 tors. eta vs tors. theta energy: -170.729 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: 3, replica: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1943.308284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.308284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.308284 (E_RNA) where: Base-Base interactions energy: -1340.166 where: short stacking energy: -555.887 Base-Backbone interact. energy: -0.222 local terms energy: -602.920695 where: bonds (distance) C4'-P energy: -112.284 bonds (distance) P-C4' energy: -119.273 flat angles C4'-P-C4' energy: -130.171 flat angles P-C4'-P energy: -86.025 tors. eta vs tors. theta energy: -155.169 Dist. restrs. and SS energy: 0.000 (S_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: 176 Temperature: 1.050000 Total energy: -1776.419902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.419902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.419902 (E_RNA) where: Base-Base interactions energy: -1228.579 where: short stacking energy: -513.916 Base-Backbone interact. energy: 4.553 local terms energy: -552.393994 where: bonds (distance) C4'-P energy: -107.854 bonds (distance) P-C4' energy: -114.278 flat angles C4'-P-C4' energy: -124.312 flat angles P-C4'-P energy: -70.454 tors. eta vs tors. theta energy: -135.497 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: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1828.352564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.352564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.352564 (E_RNA) where: Base-Base interactions energy: -1243.022 where: short stacking energy: -520.391 Base-Backbone interact. energy: -4.360 local terms energy: -580.970492 where: bonds (distance) C4'-P energy: -120.669 bonds (distance) P-C4' energy: -110.877 flat angles C4'-P-C4' energy: -132.539 flat angles P-C4'-P energy: -69.061 tors. eta vs tors. theta energy: -147.825 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: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1553.319282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.319282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.319282 (E_RNA) where: Base-Base interactions energy: -1044.878 where: short stacking energy: -433.376 Base-Backbone interact. energy: -1.517 local terms energy: -506.924219 where: bonds (distance) C4'-P energy: -100.278 bonds (distance) P-C4' energy: -104.575 flat angles C4'-P-C4' energy: -119.590 flat angles P-C4'-P energy: -76.802 tors. eta vs tors. theta energy: -105.679 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: 7, replica: 8 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1330.725056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.725056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.725056 (E_RNA) where: Base-Base interactions energy: -852.660 where: short stacking energy: -395.234 Base-Backbone interact. energy: -1.965 local terms energy: -476.100225 where: bonds (distance) C4'-P energy: -111.390 bonds (distance) P-C4' energy: -106.766 flat angles C4'-P-C4' energy: -110.731 flat angles P-C4'-P energy: -68.507 tors. eta vs tors. theta energy: -78.707 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: 3 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -901.514907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.514907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.514907 (E_RNA) where: Base-Base interactions energy: -507.079 where: short stacking energy: -275.651 Base-Backbone interact. energy: 0.812 local terms energy: -395.247862 where: bonds (distance) C4'-P energy: -130.728 bonds (distance) P-C4' energy: -92.685 flat angles C4'-P-C4' energy: -95.677 flat angles P-C4'-P energy: -43.013 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: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -963.964513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.964513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.964513 (E_RNA) where: Base-Base interactions energy: -575.363 where: short stacking energy: -241.782 Base-Backbone interact. energy: 2.354 local terms energy: -390.955319 where: bonds (distance) C4'-P energy: -105.033 bonds (distance) P-C4' energy: -109.586 flat angles C4'-P-C4' energy: -84.937 flat angles P-C4'-P energy: -68.867 tors. eta vs tors. theta energy: -22.532 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: 5 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -678.410687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.410687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.410687 (E_RNA) where: Base-Base interactions energy: -339.174 where: short stacking energy: -183.644 Base-Backbone interact. energy: -1.665 local terms energy: -337.572039 where: bonds (distance) C4'-P energy: -98.427 bonds (distance) P-C4' energy: -101.269 flat angles C4'-P-C4' energy: -82.345 flat angles P-C4'-P energy: -52.491 tors. eta vs tors. theta energy: -3.040 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: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2228.805516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.805516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.805516 (E_RNA) where: Base-Base interactions energy: -1549.306 where: short stacking energy: -626.496 Base-Backbone interact. energy: -7.087 local terms energy: -672.412229 where: bonds (distance) C4'-P energy: -125.512 bonds (distance) P-C4' energy: -118.421 flat angles C4'-P-C4' energy: -150.084 flat angles P-C4'-P energy: -88.987 tors. eta vs tors. theta energy: -189.409 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: 2, replica: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2019.499118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.499118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.499118 (E_RNA) where: Base-Base interactions energy: -1366.330 where: short stacking energy: -584.913 Base-Backbone interact. energy: -3.426 local terms energy: -649.743030 where: bonds (distance) C4'-P energy: -127.851 bonds (distance) P-C4' energy: -125.823 flat angles C4'-P-C4' energy: -130.019 flat angles P-C4'-P energy: -90.168 tors. eta vs tors. theta energy: -175.882 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: 3, replica: 9 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1939.387274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.387274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.387274 (E_RNA) where: Base-Base interactions energy: -1361.890 where: short stacking energy: -562.043 Base-Backbone interact. energy: -3.627 local terms energy: -573.870665 where: bonds (distance) C4'-P energy: -114.046 bonds (distance) P-C4' energy: -106.910 flat angles C4'-P-C4' energy: -120.640 flat angles P-C4'-P energy: -80.482 tors. eta vs tors. theta energy: -151.793 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: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1831.799182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.799182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.799182 (E_RNA) where: Base-Base interactions energy: -1262.298 where: short stacking energy: -528.589 Base-Backbone interact. energy: -4.959 local terms energy: -564.542952 where: bonds (distance) C4'-P energy: -108.195 bonds (distance) P-C4' energy: -111.500 flat angles C4'-P-C4' energy: -124.370 flat angles P-C4'-P energy: -93.589 tors. eta vs tors. theta energy: -126.889 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: 5, replica: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1752.466876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.466876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.466876 (E_RNA) where: Base-Base interactions energy: -1158.878 where: short stacking energy: -495.872 Base-Backbone interact. energy: -1.012 local terms energy: -592.576731 where: bonds (distance) C4'-P energy: -111.930 bonds (distance) P-C4' energy: -118.741 flat angles C4'-P-C4' energy: -124.113 flat angles P-C4'-P energy: -82.834 tors. eta vs tors. theta energy: -154.958 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: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1504.160515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.160515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.160515 (E_RNA) where: Base-Base interactions energy: -995.181 where: short stacking energy: -455.159 Base-Backbone interact. energy: -0.945 local terms energy: -508.034206 where: bonds (distance) C4'-P energy: -102.633 bonds (distance) P-C4' energy: -120.405 flat angles C4'-P-C4' energy: -106.005 flat angles P-C4'-P energy: -72.350 tors. eta vs tors. theta energy: -106.642 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: 7, replica: 8 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1358.127788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.127788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.127788 (E_RNA) where: Base-Base interactions energy: -885.061 where: short stacking energy: -393.134 Base-Backbone interact. energy: 0.006 local terms energy: -473.072472 where: bonds (distance) C4'-P energy: -108.173 bonds (distance) P-C4' energy: -107.685 flat angles C4'-P-C4' energy: -108.749 flat angles P-C4'-P energy: -57.557 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: 8, replica: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -998.787277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.787277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.787277 (E_RNA) where: Base-Base interactions energy: -584.717 where: short stacking energy: -287.797 Base-Backbone interact. energy: -2.028 local terms energy: -412.042395 where: bonds (distance) C4'-P energy: -116.600 bonds (distance) P-C4' energy: -109.823 flat angles C4'-P-C4' energy: -85.246 flat angles P-C4'-P energy: -56.781 tors. eta vs tors. theta energy: -43.592 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: 9, replica: 3 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -860.898430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.898430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.898430 (E_RNA) where: Base-Base interactions energy: -499.601 where: short stacking energy: -253.474 Base-Backbone interact. energy: 1.563 local terms energy: -362.860151 where: bonds (distance) C4'-P energy: -79.143 bonds (distance) P-C4' energy: -109.180 flat angles C4'-P-C4' energy: -90.864 flat angles P-C4'-P energy: -43.228 tors. eta vs tors. theta energy: -40.445 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: 10, replica: 5 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -670.381152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.381152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.381152 (E_RNA) where: Base-Base interactions energy: -342.573 where: short stacking energy: -184.344 Base-Backbone interact. energy: -2.267 local terms energy: -325.540762 where: bonds (distance) C4'-P energy: -98.768 bonds (distance) P-C4' energy: -89.568 flat angles C4'-P-C4' energy: -86.302 flat angles P-C4'-P energy: -41.957 tors. eta vs tors. theta energy: -8.946 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: 1, replica: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2264.155191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.155191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.155191 (E_RNA) where: Base-Base interactions energy: -1578.676 where: short stacking energy: -628.816 Base-Backbone interact. energy: -5.260 local terms energy: -680.219749 where: bonds (distance) C4'-P energy: -126.474 bonds (distance) P-C4' energy: -124.587 flat angles C4'-P-C4' energy: -145.590 flat angles P-C4'-P energy: -95.029 tors. eta vs tors. theta energy: -188.539 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: 2, replica: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2060.664929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.664929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.664929 (E_RNA) where: Base-Base interactions energy: -1408.640 where: short stacking energy: -611.521 Base-Backbone interact. energy: -4.635 local terms energy: -647.389717 where: bonds (distance) C4'-P energy: -113.296 bonds (distance) P-C4' energy: -123.286 flat angles C4'-P-C4' energy: -145.000 flat angles P-C4'-P energy: -93.125 tors. eta vs tors. theta energy: -172.683 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: 3, replica: 9 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1959.027885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.027885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.027885 (E_RNA) where: Base-Base interactions energy: -1360.368 where: short stacking energy: -548.830 Base-Backbone interact. energy: -1.957 local terms energy: -596.702202 where: bonds (distance) C4'-P energy: -117.969 bonds (distance) P-C4' energy: -122.609 flat angles C4'-P-C4' energy: -136.294 flat angles P-C4'-P energy: -74.742 tors. eta vs tors. theta energy: -145.088 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: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1805.646849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.646849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.646849 (E_RNA) where: Base-Base interactions energy: -1221.598 where: short stacking energy: -500.313 Base-Backbone interact. energy: -2.657 local terms energy: -581.391947 where: bonds (distance) C4'-P energy: -117.429 bonds (distance) P-C4' energy: -113.632 flat angles C4'-P-C4' energy: -124.000 flat angles P-C4'-P energy: -93.493 tors. eta vs tors. theta energy: -132.839 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: 5, replica: 7 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1783.368155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.368155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.368155 (E_RNA) where: Base-Base interactions energy: -1214.163 where: short stacking energy: -516.432 Base-Backbone interact. energy: 2.502 local terms energy: -571.707401 where: bonds (distance) C4'-P energy: -118.701 bonds (distance) P-C4' energy: -104.349 flat angles C4'-P-C4' energy: -130.752 flat angles P-C4'-P energy: -77.771 tors. eta vs tors. theta energy: -140.135 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: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1548.824170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.824170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.824170 (E_RNA) where: Base-Base interactions energy: -1034.314 where: short stacking energy: -425.721 Base-Backbone interact. energy: -2.957 local terms energy: -511.553304 where: bonds (distance) C4'-P energy: -100.540 bonds (distance) P-C4' energy: -94.759 flat angles C4'-P-C4' energy: -131.123 flat angles P-C4'-P energy: -78.134 tors. eta vs tors. theta energy: -106.998 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: 178 Temperature: 1.200000 Total energy: -1377.689452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.689452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.689452 (E_RNA) where: Base-Base interactions energy: -856.110 where: short stacking energy: -415.209 Base-Backbone interact. energy: -0.013 local terms energy: -521.567279 where: bonds (distance) C4'-P energy: -105.558 bonds (distance) P-C4' energy: -108.438 flat angles C4'-P-C4' energy: -114.294 flat angles P-C4'-P energy: -75.787 tors. eta vs tors. theta energy: -117.491 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: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1004.800338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.800338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.800338 (E_RNA) where: Base-Base interactions energy: -603.055 where: short stacking energy: -322.276 Base-Backbone interact. energy: 5.254 local terms energy: -406.999991 where: bonds (distance) C4'-P energy: -86.255 bonds (distance) P-C4' energy: -110.471 flat angles C4'-P-C4' energy: -90.760 flat angles P-C4'-P energy: -68.955 tors. eta vs tors. theta energy: -50.559 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: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -866.057791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.057791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.057791 (E_RNA) where: Base-Base interactions energy: -487.709 where: short stacking energy: -262.817 Base-Backbone interact. energy: -0.409 local terms energy: -377.939255 where: bonds (distance) C4'-P energy: -100.101 bonds (distance) P-C4' energy: -90.641 flat angles C4'-P-C4' energy: -105.046 flat angles P-C4'-P energy: -43.824 tors. eta vs tors. theta energy: -38.327 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: 5 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -652.104294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.104294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.104294 (E_RNA) where: Base-Base interactions energy: -307.362 where: short stacking energy: -173.392 Base-Backbone interact. energy: -0.707 local terms energy: -344.035877 where: bonds (distance) C4'-P energy: -102.322 bonds (distance) P-C4' energy: -106.391 flat angles C4'-P-C4' energy: -85.519 flat angles P-C4'-P energy: -55.575 tors. eta vs tors. theta energy: 5.771 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: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2262.267813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.267813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.267813 (E_RNA) where: Base-Base interactions energy: -1585.149 where: short stacking energy: -631.022 Base-Backbone interact. energy: -3.377 local terms energy: -673.741924 where: bonds (distance) C4'-P energy: -128.365 bonds (distance) P-C4' energy: -124.842 flat angles C4'-P-C4' energy: -137.189 flat angles P-C4'-P energy: -98.804 tors. eta vs tors. theta energy: -184.543 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: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2067.511312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.511312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.511312 (E_RNA) where: Base-Base interactions energy: -1398.922 where: short stacking energy: -605.145 Base-Backbone interact. energy: -2.213 local terms energy: -666.376683 where: bonds (distance) C4'-P energy: -118.507 bonds (distance) P-C4' energy: -121.472 flat angles C4'-P-C4' energy: -141.087 flat angles P-C4'-P energy: -102.834 tors. eta vs tors. theta energy: -182.477 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: 3, replica: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1959.916280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.916280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.916280 (E_RNA) where: Base-Base interactions energy: -1339.882 where: short stacking energy: -566.516 Base-Backbone interact. energy: 4.676 local terms energy: -624.710603 where: bonds (distance) C4'-P energy: -133.007 bonds (distance) P-C4' energy: -117.001 flat angles C4'-P-C4' energy: -126.003 flat angles P-C4'-P energy: -90.479 tors. eta vs tors. theta energy: -158.222 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: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1793.780278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.780278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.780278 (E_RNA) where: Base-Base interactions energy: -1225.593 where: short stacking energy: -511.950 Base-Backbone interact. energy: 0.839 local terms energy: -569.026129 where: bonds (distance) C4'-P energy: -123.186 bonds (distance) P-C4' energy: -114.207 flat angles C4'-P-C4' energy: -123.618 flat angles P-C4'-P energy: -78.762 tors. eta vs tors. theta energy: -129.253 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: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1798.947123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.947123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.947123 (E_RNA) where: Base-Base interactions energy: -1236.629 where: short stacking energy: -514.251 Base-Backbone interact. energy: -0.191 local terms energy: -562.126456 where: bonds (distance) C4'-P energy: -97.480 bonds (distance) P-C4' energy: -126.092 flat angles C4'-P-C4' energy: -123.885 flat angles P-C4'-P energy: -69.741 tors. eta vs tors. theta energy: -144.928 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: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1511.850691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.850691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.850691 (E_RNA) where: Base-Base interactions energy: -1010.758 where: short stacking energy: -421.339 Base-Backbone interact. energy: -0.861 local terms energy: -500.231614 where: bonds (distance) C4'-P energy: -112.439 bonds (distance) P-C4' energy: -90.361 flat angles C4'-P-C4' energy: -135.744 flat angles P-C4'-P energy: -67.551 tors. eta vs tors. theta energy: -94.138 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: 7, replica: 8 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1311.547982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.547982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.547982 (E_RNA) where: Base-Base interactions energy: -836.282 where: short stacking energy: -375.771 Base-Backbone interact. energy: -1.061 local terms energy: -474.205339 where: bonds (distance) C4'-P energy: -87.045 bonds (distance) P-C4' energy: -111.545 flat angles C4'-P-C4' energy: -113.067 flat angles P-C4'-P energy: -72.726 tors. eta vs tors. theta energy: -89.823 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: 8, replica: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1053.215394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.215394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.215394 (E_RNA) where: Base-Base interactions energy: -637.809 where: short stacking energy: -300.272 Base-Backbone interact. energy: 6.815 local terms energy: -422.221489 where: bonds (distance) C4'-P energy: -91.576 bonds (distance) P-C4' energy: -108.380 flat angles C4'-P-C4' energy: -99.027 flat angles P-C4'-P energy: -63.474 tors. eta vs tors. theta energy: -59.764 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: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -867.108413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.108413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.108413 (E_RNA) where: Base-Base interactions energy: -489.750 where: short stacking energy: -254.982 Base-Backbone interact. energy: 1.936 local terms energy: -379.294219 where: bonds (distance) C4'-P energy: -103.530 bonds (distance) P-C4' energy: -98.826 flat angles C4'-P-C4' energy: -94.596 flat angles P-C4'-P energy: -56.822 tors. eta vs tors. theta energy: -25.521 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: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -659.223738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.223738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.223738 (E_RNA) where: Base-Base interactions energy: -338.297 where: short stacking energy: -192.891 Base-Backbone interact. energy: 1.297 local terms energy: -322.224207 where: bonds (distance) C4'-P energy: -79.682 bonds (distance) P-C4' energy: -102.107 flat angles C4'-P-C4' energy: -96.016 flat angles P-C4'-P energy: -49.745 tors. eta vs tors. theta energy: 5.325 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: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2267.980204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.980204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.980204 (E_RNA) where: Base-Base interactions energy: -1586.903 where: short stacking energy: -642.778 Base-Backbone interact. energy: -0.370 local terms energy: -680.706328 where: bonds (distance) C4'-P energy: -120.373 bonds (distance) P-C4' energy: -130.192 flat angles C4'-P-C4' energy: -146.372 flat angles P-C4'-P energy: -93.045 tors. eta vs tors. theta energy: -190.726 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: 180 Temperature: 0.950000 Total energy: -2080.022894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.022894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.022894 (E_RNA) where: Base-Base interactions energy: -1424.892 where: short stacking energy: -615.305 Base-Backbone interact. energy: -4.451 local terms energy: -650.679183 where: bonds (distance) C4'-P energy: -122.679 bonds (distance) P-C4' energy: -115.843 flat angles C4'-P-C4' energy: -141.739 flat angles P-C4'-P energy: -95.463 tors. eta vs tors. theta energy: -174.956 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: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1944.444646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.444646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.444646 (E_RNA) where: Base-Base interactions energy: -1319.959 where: short stacking energy: -566.580 Base-Backbone interact. energy: -4.186 local terms energy: -620.299285 where: bonds (distance) C4'-P energy: -116.400 bonds (distance) P-C4' energy: -124.942 flat angles C4'-P-C4' energy: -124.505 flat angles P-C4'-P energy: -92.185 tors. eta vs tors. theta energy: -162.267 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: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1800.453205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.453205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.453205 (E_RNA) where: Base-Base interactions energy: -1218.343 where: short stacking energy: -515.174 Base-Backbone interact. energy: -3.788 local terms energy: -578.322800 where: bonds (distance) C4'-P energy: -105.551 bonds (distance) P-C4' energy: -104.713 flat angles C4'-P-C4' energy: -130.222 flat angles P-C4'-P energy: -100.354 tors. eta vs tors. theta energy: -137.483 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: 5, replica: 7 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1802.701901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.701901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.701901 (E_RNA) where: Base-Base interactions energy: -1243.518 where: short stacking energy: -530.511 Base-Backbone interact. energy: -0.639 local terms energy: -558.545474 where: bonds (distance) C4'-P energy: -112.443 bonds (distance) P-C4' energy: -108.327 flat angles C4'-P-C4' energy: -117.761 flat angles P-C4'-P energy: -75.916 tors. eta vs tors. theta energy: -144.099 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: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1533.162372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.162372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.162372 (E_RNA) where: Base-Base interactions energy: -1002.649 where: short stacking energy: -439.749 Base-Backbone interact. energy: 1.835 local terms energy: -532.349080 where: bonds (distance) C4'-P energy: -114.016 bonds (distance) P-C4' energy: -124.381 flat angles C4'-P-C4' energy: -104.525 flat angles P-C4'-P energy: -81.384 tors. eta vs tors. theta energy: -108.043 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: 7, replica: 8 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1377.779665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.779665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.779665 (E_RNA) where: Base-Base interactions energy: -881.751 where: short stacking energy: -399.942 Base-Backbone interact. energy: 0.664 local terms energy: -496.692809 where: bonds (distance) C4'-P energy: -90.340 bonds (distance) P-C4' energy: -109.288 flat angles C4'-P-C4' energy: -123.011 flat angles P-C4'-P energy: -74.664 tors. eta vs tors. theta energy: -99.389 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: 2 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1045.267012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.267012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.267012 (E_RNA) where: Base-Base interactions energy: -609.497 where: short stacking energy: -292.123 Base-Backbone interact. energy: -1.453 local terms energy: -434.317299 where: bonds (distance) C4'-P energy: -120.576 bonds (distance) P-C4' energy: -97.369 flat angles C4'-P-C4' energy: -110.402 flat angles P-C4'-P energy: -65.605 tors. eta vs tors. theta energy: -40.365 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: 9, replica: 3 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -850.891609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.891609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.891609 (E_RNA) where: Base-Base interactions energy: -482.915 where: short stacking energy: -214.218 Base-Backbone interact. energy: -0.100 local terms energy: -367.877246 where: bonds (distance) C4'-P energy: -112.749 bonds (distance) P-C4' energy: -97.164 flat angles C4'-P-C4' energy: -85.328 flat angles P-C4'-P energy: -65.975 tors. eta vs tors. theta energy: -6.662 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: 10, replica: 5 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -657.841939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.841939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.841939 (E_RNA) where: Base-Base interactions energy: -338.314 where: short stacking energy: -176.568 Base-Backbone interact. energy: 0.147 local terms energy: -319.675643 where: bonds (distance) C4'-P energy: -78.189 bonds (distance) P-C4' energy: -109.053 flat angles C4'-P-C4' energy: -87.928 flat angles P-C4'-P energy: -55.424 tors. eta vs tors. theta energy: 10.919 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: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2259.687080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.687080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.687080 (E_RNA) where: Base-Base interactions energy: -1612.194 where: short stacking energy: -622.720 Base-Backbone interact. energy: -7.288 local terms energy: -640.204766 where: bonds (distance) C4'-P energy: -115.403 bonds (distance) P-C4' energy: -117.027 flat angles C4'-P-C4' energy: -138.932 flat angles P-C4'-P energy: -82.324 tors. eta vs tors. theta energy: -186.519 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: 2, replica: 10 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2077.104414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.104414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.104414 (E_RNA) where: Base-Base interactions energy: -1448.015 where: short stacking energy: -614.025 Base-Backbone interact. energy: -1.458 local terms energy: -627.630907 where: bonds (distance) C4'-P energy: -113.591 bonds (distance) P-C4' energy: -114.347 flat angles C4'-P-C4' energy: -127.730 flat angles P-C4'-P energy: -94.951 tors. eta vs tors. theta energy: -177.011 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: 3, replica: 9 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1965.076815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.076815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.076815 (E_RNA) where: Base-Base interactions energy: -1345.907 where: short stacking energy: -592.429 Base-Backbone interact. energy: -2.818 local terms energy: -616.351168 where: bonds (distance) C4'-P energy: -126.041 bonds (distance) P-C4' energy: -126.972 flat angles C4'-P-C4' energy: -125.416 flat angles P-C4'-P energy: -74.877 tors. eta vs tors. theta energy: -163.046 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: 4, replica: 7 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1886.825473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.825473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.825473 (E_RNA) where: Base-Base interactions energy: -1279.605 where: short stacking energy: -530.741 Base-Backbone interact. energy: 4.576 local terms energy: -611.796722 where: bonds (distance) C4'-P energy: -116.965 bonds (distance) P-C4' energy: -110.825 flat angles C4'-P-C4' energy: -131.905 flat angles P-C4'-P energy: -74.528 tors. eta vs tors. theta energy: -177.574 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: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1730.012915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.012915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.012915 (E_RNA) where: Base-Base interactions energy: -1183.210 where: short stacking energy: -493.338 Base-Backbone interact. energy: -4.366 local terms energy: -542.437000 where: bonds (distance) C4'-P energy: -102.194 bonds (distance) P-C4' energy: -94.367 flat angles C4'-P-C4' energy: -134.108 flat angles P-C4'-P energy: -82.452 tors. eta vs tors. theta energy: -129.317 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: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1540.871416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.871416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.871416 (E_RNA) where: Base-Base interactions energy: -1024.223 where: short stacking energy: -444.098 Base-Backbone interact. energy: -0.775 local terms energy: -515.873594 where: bonds (distance) C4'-P energy: -109.217 bonds (distance) P-C4' energy: -120.065 flat angles C4'-P-C4' energy: -109.921 flat angles P-C4'-P energy: -71.705 tors. eta vs tors. theta energy: -104.966 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: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1337.038423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.038423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.038423 (E_RNA) where: Base-Base interactions energy: -838.831 where: short stacking energy: -374.351 Base-Backbone interact. energy: 1.719 local terms energy: -499.926055 where: bonds (distance) C4'-P energy: -117.234 bonds (distance) P-C4' energy: -116.706 flat angles C4'-P-C4' energy: -113.611 flat angles P-C4'-P energy: -67.216 tors. eta vs tors. theta energy: -85.159 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: 8, replica: 2 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1103.531493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.531493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.531493 (E_RNA) where: Base-Base interactions energy: -671.965 where: short stacking energy: -320.528 Base-Backbone interact. energy: -2.787 local terms energy: -428.779585 where: bonds (distance) C4'-P energy: -90.607 bonds (distance) P-C4' energy: -105.165 flat angles C4'-P-C4' energy: -102.792 flat angles P-C4'-P energy: -77.415 tors. eta vs tors. theta energy: -52.801 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: 9, replica: 3 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -863.757530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.757530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.757530 (E_RNA) where: Base-Base interactions energy: -474.775 where: short stacking energy: -252.168 Base-Backbone interact. energy: 0.579 local terms energy: -389.561614 where: bonds (distance) C4'-P energy: -96.129 bonds (distance) P-C4' energy: -113.940 flat angles C4'-P-C4' energy: -96.657 flat angles P-C4'-P energy: -63.212 tors. eta vs tors. theta energy: -19.624 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: 5 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -617.887066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.887066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.887066 (E_RNA) where: Base-Base interactions energy: -277.148 where: short stacking energy: -162.473 Base-Backbone interact. energy: -1.647 local terms energy: -339.091959 where: bonds (distance) C4'-P energy: -109.316 bonds (distance) P-C4' energy: -103.351 flat angles C4'-P-C4' energy: -92.768 flat angles P-C4'-P energy: -43.846 tors. eta vs tors. theta energy: 10.189 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: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2256.462453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.462453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.462453 (E_RNA) where: Base-Base interactions energy: -1583.799 where: short stacking energy: -643.305 Base-Backbone interact. energy: -1.686 local terms energy: -670.977566 where: bonds (distance) C4'-P energy: -122.035 bonds (distance) P-C4' energy: -131.322 flat angles C4'-P-C4' energy: -136.366 flat angles P-C4'-P energy: -94.134 tors. eta vs tors. theta energy: -187.120 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: 182 Temperature: 0.950000 Total energy: -2052.095924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.095924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.095924 (E_RNA) where: Base-Base interactions energy: -1398.050 where: short stacking energy: -598.160 Base-Backbone interact. energy: -3.663 local terms energy: -650.382636 where: bonds (distance) C4'-P energy: -118.958 bonds (distance) P-C4' energy: -131.699 flat angles C4'-P-C4' energy: -137.811 flat angles P-C4'-P energy: -94.985 tors. eta vs tors. theta energy: -166.929 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: 3, replica: 7 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1988.306291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.306291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.306291 (E_RNA) where: Base-Base interactions energy: -1354.463 where: short stacking energy: -601.751 Base-Backbone interact. energy: -1.839 local terms energy: -632.004251 where: bonds (distance) C4'-P energy: -118.707 bonds (distance) P-C4' energy: -122.436 flat angles C4'-P-C4' energy: -132.843 flat angles P-C4'-P energy: -83.521 tors. eta vs tors. theta energy: -174.498 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: 9 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1856.339475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.339475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.339475 (E_RNA) where: Base-Base interactions energy: -1278.938 where: short stacking energy: -554.015 Base-Backbone interact. energy: 0.748 local terms energy: -578.148686 where: bonds (distance) C4'-P energy: -105.967 bonds (distance) P-C4' energy: -113.398 flat angles C4'-P-C4' energy: -132.464 flat angles P-C4'-P energy: -67.486 tors. eta vs tors. theta energy: -158.834 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: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1732.356728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.356728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.356728 (E_RNA) where: Base-Base interactions energy: -1179.043 where: short stacking energy: -499.582 Base-Backbone interact. energy: -0.937 local terms energy: -552.376689 where: bonds (distance) C4'-P energy: -96.150 bonds (distance) P-C4' energy: -112.161 flat angles C4'-P-C4' energy: -119.926 flat angles P-C4'-P energy: -79.469 tors. eta vs tors. theta energy: -144.671 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: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1534.258598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.258598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.258598 (E_RNA) where: Base-Base interactions energy: -1026.429 where: short stacking energy: -426.324 Base-Backbone interact. energy: -2.205 local terms energy: -505.624621 where: bonds (distance) C4'-P energy: -104.462 bonds (distance) P-C4' energy: -109.205 flat angles C4'-P-C4' energy: -114.063 flat angles P-C4'-P energy: -77.823 tors. eta vs tors. theta energy: -100.071 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: 7, replica: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1283.758927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.758927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.758927 (E_RNA) where: Base-Base interactions energy: -825.334 where: short stacking energy: -397.039 Base-Backbone interact. energy: -2.300 local terms energy: -456.124533 where: bonds (distance) C4'-P energy: -94.313 bonds (distance) P-C4' energy: -104.107 flat angles C4'-P-C4' energy: -104.598 flat angles P-C4'-P energy: -66.788 tors. eta vs tors. theta energy: -86.318 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: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1145.641300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.641300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.641300 (E_RNA) where: Base-Base interactions energy: -690.643 where: short stacking energy: -316.089 Base-Backbone interact. energy: 1.540 local terms energy: -456.538681 where: bonds (distance) C4'-P energy: -108.112 bonds (distance) P-C4' energy: -112.897 flat angles C4'-P-C4' energy: -110.788 flat angles P-C4'-P energy: -56.965 tors. eta vs tors. theta energy: -67.776 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: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -899.253202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.253202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.253202 (E_RNA) where: Base-Base interactions energy: -515.234 where: short stacking energy: -265.027 Base-Backbone interact. energy: 1.155 local terms energy: -385.174097 where: bonds (distance) C4'-P energy: -110.799 bonds (distance) P-C4' energy: -103.268 flat angles C4'-P-C4' energy: -102.895 flat angles P-C4'-P energy: -40.101 tors. eta vs tors. theta energy: -28.110 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: 10, replica: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -612.345237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.345237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.345237 (E_RNA) where: Base-Base interactions energy: -284.003 where: short stacking energy: -178.014 Base-Backbone interact. energy: -0.820 local terms energy: -327.521625 where: bonds (distance) C4'-P energy: -92.185 bonds (distance) P-C4' energy: -111.565 flat angles C4'-P-C4' energy: -94.180 flat angles P-C4'-P energy: -50.258 tors. eta vs tors. theta energy: 20.666 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: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2230.619543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.619543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.619543 (E_RNA) where: Base-Base interactions energy: -1561.896 where: short stacking energy: -625.575 Base-Backbone interact. energy: -0.416 local terms energy: -668.307352 where: bonds (distance) C4'-P energy: -129.161 bonds (distance) P-C4' energy: -124.534 flat angles C4'-P-C4' energy: -145.104 flat angles P-C4'-P energy: -85.749 tors. eta vs tors. theta energy: -183.759 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: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2078.483537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.483537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.483537 (E_RNA) where: Base-Base interactions energy: -1429.257 where: short stacking energy: -604.927 Base-Backbone interact. energy: -3.241 local terms energy: -645.985973 where: bonds (distance) C4'-P energy: -118.080 bonds (distance) P-C4' energy: -131.238 flat angles C4'-P-C4' energy: -132.590 flat angles P-C4'-P energy: -91.744 tors. eta vs tors. theta energy: -172.334 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: 3, replica: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1985.643890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.643890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.643890 (E_RNA) where: Base-Base interactions energy: -1365.602 where: short stacking energy: -594.794 Base-Backbone interact. energy: -1.719 local terms energy: -618.322973 where: bonds (distance) C4'-P energy: -98.841 bonds (distance) P-C4' energy: -122.176 flat angles C4'-P-C4' energy: -140.611 flat angles P-C4'-P energy: -71.966 tors. eta vs tors. theta energy: -184.728 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: 4, replica: 9 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1934.556569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.556569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.556569 (E_RNA) where: Base-Base interactions energy: -1325.995 where: short stacking energy: -541.070 Base-Backbone interact. energy: -4.182 local terms energy: -604.379994 where: bonds (distance) C4'-P energy: -117.295 bonds (distance) P-C4' energy: -113.537 flat angles C4'-P-C4' energy: -127.953 flat angles P-C4'-P energy: -88.631 tors. eta vs tors. theta energy: -156.963 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: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1664.539538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.539538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.539538 (E_RNA) where: Base-Base interactions energy: -1131.836 where: short stacking energy: -461.698 Base-Backbone interact. energy: 2.121 local terms energy: -534.824460 where: bonds (distance) C4'-P energy: -112.858 bonds (distance) P-C4' energy: -113.376 flat angles C4'-P-C4' energy: -116.406 flat angles P-C4'-P energy: -64.477 tors. eta vs tors. theta energy: -127.708 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: 6, replica: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1530.122045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.122045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.122045 (E_RNA) where: Base-Base interactions energy: -1020.084 where: short stacking energy: -456.994 Base-Backbone interact. energy: -1.850 local terms energy: -508.187433 where: bonds (distance) C4'-P energy: -92.812 bonds (distance) P-C4' energy: -93.102 flat angles C4'-P-C4' energy: -125.225 flat angles P-C4'-P energy: -83.098 tors. eta vs tors. theta energy: -113.950 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: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1260.163783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.163783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.163783 (E_RNA) where: Base-Base interactions energy: -768.529 where: short stacking energy: -346.692 Base-Backbone interact. energy: 1.667 local terms energy: -493.301394 where: bonds (distance) C4'-P energy: -108.965 bonds (distance) P-C4' energy: -121.415 flat angles C4'-P-C4' energy: -106.083 flat angles P-C4'-P energy: -81.471 tors. eta vs tors. theta energy: -75.367 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: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1145.833493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.833493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.833493 (E_RNA) where: Base-Base interactions energy: -732.038 where: short stacking energy: -345.960 Base-Backbone interact. energy: 7.726 local terms energy: -421.521645 where: bonds (distance) C4'-P energy: -92.144 bonds (distance) P-C4' energy: -106.525 flat angles C4'-P-C4' energy: -104.311 flat angles P-C4'-P energy: -66.568 tors. eta vs tors. theta energy: -51.973 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: 9, replica: 3 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -839.384021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.384021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.384021 (E_RNA) where: Base-Base interactions energy: -455.992 where: short stacking energy: -239.560 Base-Backbone interact. energy: 9.130 local terms energy: -392.522344 where: bonds (distance) C4'-P energy: -91.049 bonds (distance) P-C4' energy: -114.097 flat angles C4'-P-C4' energy: -101.501 flat angles P-C4'-P energy: -67.346 tors. eta vs tors. theta energy: -18.528 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: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -680.629568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.629568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.629568 (E_RNA) where: Base-Base interactions energy: -363.426 where: short stacking energy: -205.797 Base-Backbone interact. energy: 2.813 local terms energy: -320.017468 where: bonds (distance) C4'-P energy: -92.777 bonds (distance) P-C4' energy: -78.991 flat angles C4'-P-C4' energy: -85.653 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: -3.815 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: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2191.042577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.042577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.042577 (E_RNA) where: Base-Base interactions energy: -1531.181 where: short stacking energy: -609.319 Base-Backbone interact. energy: -2.862 local terms energy: -656.999610 where: bonds (distance) C4'-P energy: -119.549 bonds (distance) P-C4' energy: -124.068 flat angles C4'-P-C4' energy: -148.217 flat angles P-C4'-P energy: -91.814 tors. eta vs tors. theta energy: -173.352 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: 2, replica: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2061.219012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.219012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.219012 (E_RNA) where: Base-Base interactions energy: -1408.198 where: short stacking energy: -618.825 Base-Backbone interact. energy: -0.883 local terms energy: -652.137760 where: bonds (distance) C4'-P energy: -112.085 bonds (distance) P-C4' energy: -125.937 flat angles C4'-P-C4' energy: -132.169 flat angles P-C4'-P energy: -105.383 tors. eta vs tors. theta energy: -176.563 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: 3, replica: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2008.449786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.449786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.449786 (E_RNA) where: Base-Base interactions energy: -1375.095 where: short stacking energy: -602.232 Base-Backbone interact. energy: -4.575 local terms energy: -628.779033 where: bonds (distance) C4'-P energy: -116.241 bonds (distance) P-C4' energy: -113.920 flat angles C4'-P-C4' energy: -129.972 flat angles P-C4'-P energy: -93.057 tors. eta vs tors. theta energy: -175.589 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: 4, replica: 9 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1891.426878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.426878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.426878 (E_RNA) where: Base-Base interactions energy: -1301.867 where: short stacking energy: -543.576 Base-Backbone interact. energy: -2.878 local terms energy: -586.682320 where: bonds (distance) C4'-P energy: -118.262 bonds (distance) P-C4' energy: -120.217 flat angles C4'-P-C4' energy: -116.506 flat angles P-C4'-P energy: -84.424 tors. eta vs tors. theta energy: -147.273 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: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1660.439021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.439021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.439021 (E_RNA) where: Base-Base interactions energy: -1134.088 where: short stacking energy: -497.380 Base-Backbone interact. energy: 1.276 local terms energy: -527.626739 where: bonds (distance) C4'-P energy: -94.947 bonds (distance) P-C4' energy: -113.228 flat angles C4'-P-C4' energy: -115.416 flat angles P-C4'-P energy: -76.071 tors. eta vs tors. theta energy: -127.965 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: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1565.364241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.364241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.364241 (E_RNA) where: Base-Base interactions energy: -1028.022 where: short stacking energy: -415.727 Base-Backbone interact. energy: -2.302 local terms energy: -535.039929 where: bonds (distance) C4'-P energy: -117.638 bonds (distance) P-C4' energy: -103.425 flat angles C4'-P-C4' energy: -120.749 flat angles P-C4'-P energy: -75.229 tors. eta vs tors. theta energy: -117.998 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: 184 Temperature: 1.200000 Total energy: -1280.585626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.585626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.585626 (E_RNA) where: Base-Base interactions energy: -787.326 where: short stacking energy: -364.489 Base-Backbone interact. energy: -0.202 local terms energy: -493.057553 where: bonds (distance) C4'-P energy: -96.356 bonds (distance) P-C4' energy: -119.438 flat angles C4'-P-C4' energy: -126.341 flat angles P-C4'-P energy: -75.744 tors. eta vs tors. theta energy: -75.179 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: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1060.404051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.404051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.404051 (E_RNA) where: Base-Base interactions energy: -651.692 where: short stacking energy: -298.373 Base-Backbone interact. energy: 8.279 local terms energy: -416.991191 where: bonds (distance) C4'-P energy: -96.937 bonds (distance) P-C4' energy: -101.378 flat angles C4'-P-C4' energy: -106.497 flat angles P-C4'-P energy: -67.372 tors. eta vs tors. theta energy: -44.807 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: 9, replica: 3 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -835.593545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.593545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.593545 (E_RNA) where: Base-Base interactions energy: -436.877 where: short stacking energy: -226.585 Base-Backbone interact. energy: -1.727 local terms energy: -396.990282 where: bonds (distance) C4'-P energy: -87.954 bonds (distance) P-C4' energy: -117.059 flat angles C4'-P-C4' energy: -97.776 flat angles P-C4'-P energy: -69.038 tors. eta vs tors. theta energy: -25.163 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: 10, replica: 5 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -675.346203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.346203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.346203 (E_RNA) where: Base-Base interactions energy: -347.220 where: short stacking energy: -173.211 Base-Backbone interact. energy: 3.561 local terms energy: -331.687379 where: bonds (distance) C4'-P energy: -104.892 bonds (distance) P-C4' energy: -91.875 flat angles C4'-P-C4' energy: -89.310 flat angles P-C4'-P energy: -53.726 tors. eta vs tors. theta energy: 8.116 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: 1, replica: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2209.961779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.961779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.961779 (E_RNA) where: Base-Base interactions energy: -1521.675 where: short stacking energy: -614.633 Base-Backbone interact. energy: -3.893 local terms energy: -684.393784 where: bonds (distance) C4'-P energy: -131.443 bonds (distance) P-C4' energy: -132.103 flat angles C4'-P-C4' energy: -149.291 flat angles P-C4'-P energy: -90.084 tors. eta vs tors. theta energy: -181.473 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: 2, replica: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2073.224222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.224222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.224222 (E_RNA) where: Base-Base interactions energy: -1427.086 where: short stacking energy: -605.469 Base-Backbone interact. energy: -1.408 local terms energy: -644.730204 where: bonds (distance) C4'-P energy: -131.662 bonds (distance) P-C4' energy: -118.713 flat angles C4'-P-C4' energy: -147.531 flat angles P-C4'-P energy: -80.170 tors. eta vs tors. theta energy: -166.655 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: 7 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1998.572698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.572698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.572698 (E_RNA) where: Base-Base interactions energy: -1370.627 where: short stacking energy: -606.162 Base-Backbone interact. energy: -2.220 local terms energy: -625.725795 where: bonds (distance) C4'-P energy: -116.385 bonds (distance) P-C4' energy: -108.161 flat angles C4'-P-C4' energy: -141.187 flat angles P-C4'-P energy: -79.925 tors. eta vs tors. theta energy: -180.068 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: 4, replica: 9 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1914.774646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.774646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.774646 (E_RNA) where: Base-Base interactions energy: -1307.409 where: short stacking energy: -530.014 Base-Backbone interact. energy: -1.012 local terms energy: -606.353074 where: bonds (distance) C4'-P energy: -118.104 bonds (distance) P-C4' energy: -128.867 flat angles C4'-P-C4' energy: -115.613 flat angles P-C4'-P energy: -91.380 tors. eta vs tors. theta energy: -152.389 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: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1728.071116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.071116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.071116 (E_RNA) where: Base-Base interactions energy: -1159.136 where: short stacking energy: -477.904 Base-Backbone interact. energy: 0.287 local terms energy: -569.221277 where: bonds (distance) C4'-P energy: -108.740 bonds (distance) P-C4' energy: -126.938 flat angles C4'-P-C4' energy: -125.304 flat angles P-C4'-P energy: -91.548 tors. eta vs tors. theta energy: -116.690 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: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1562.218162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.218162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.218162 (E_RNA) where: Base-Base interactions energy: -1057.141 where: short stacking energy: -456.842 Base-Backbone interact. energy: 3.914 local terms energy: -508.990906 where: bonds (distance) C4'-P energy: -92.935 bonds (distance) P-C4' energy: -112.168 flat angles C4'-P-C4' energy: -124.535 flat angles P-C4'-P energy: -70.624 tors. eta vs tors. theta energy: -108.729 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: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1330.219568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.219568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.219568 (E_RNA) where: Base-Base interactions energy: -869.399 where: short stacking energy: -411.234 Base-Backbone interact. energy: 1.867 local terms energy: -462.687719 where: bonds (distance) C4'-P energy: -98.406 bonds (distance) P-C4' energy: -98.707 flat angles C4'-P-C4' energy: -93.049 flat angles P-C4'-P energy: -71.680 tors. eta vs tors. theta energy: -100.846 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: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1121.957998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.957998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.957998 (E_RNA) where: Base-Base interactions energy: -678.655 where: short stacking energy: -334.808 Base-Backbone interact. energy: 0.283 local terms energy: -443.586181 where: bonds (distance) C4'-P energy: -87.300 bonds (distance) P-C4' energy: -119.274 flat angles C4'-P-C4' energy: -108.655 flat angles P-C4'-P energy: -71.488 tors. eta vs tors. theta energy: -56.869 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: 9, replica: 3 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -871.255492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.255492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.255492 (E_RNA) where: Base-Base interactions energy: -492.842 where: short stacking energy: -246.437 Base-Backbone interact. energy: 6.786 local terms energy: -385.199313 where: bonds (distance) C4'-P energy: -95.436 bonds (distance) P-C4' energy: -97.712 flat angles C4'-P-C4' energy: -100.628 flat angles P-C4'-P energy: -61.405 tors. eta vs tors. theta energy: -30.017 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: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -647.897200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.897200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.897200 (E_RNA) where: Base-Base interactions energy: -307.327 where: short stacking energy: -181.491 Base-Backbone interact. energy: 2.169 local terms energy: -342.739677 where: bonds (distance) C4'-P energy: -95.970 bonds (distance) P-C4' energy: -90.004 flat angles C4'-P-C4' energy: -108.354 flat angles P-C4'-P energy: -45.223 tors. eta vs tors. theta energy: -3.188 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: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2212.727959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.727959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.727959 (E_RNA) where: Base-Base interactions energy: -1561.917 where: short stacking energy: -622.272 Base-Backbone interact. energy: -2.063 local terms energy: -648.748490 where: bonds (distance) C4'-P energy: -120.874 bonds (distance) P-C4' energy: -110.709 flat angles C4'-P-C4' energy: -131.399 flat angles P-C4'-P energy: -96.485 tors. eta vs tors. theta energy: -189.282 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: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2057.285161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.285161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.285161 (E_RNA) where: Base-Base interactions energy: -1422.158 where: short stacking energy: -602.897 Base-Backbone interact. energy: -0.895 local terms energy: -634.232431 where: bonds (distance) C4'-P energy: -115.701 bonds (distance) P-C4' energy: -130.797 flat angles C4'-P-C4' energy: -134.794 flat angles P-C4'-P energy: -86.818 tors. eta vs tors. theta energy: -166.123 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: 3, replica: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2016.115175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.115175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.115175 (E_RNA) where: Base-Base interactions energy: -1358.868 where: short stacking energy: -601.346 Base-Backbone interact. energy: -1.316 local terms energy: -655.931716 where: bonds (distance) C4'-P energy: -119.859 bonds (distance) P-C4' energy: -125.992 flat angles C4'-P-C4' energy: -142.908 flat angles P-C4'-P energy: -91.746 tors. eta vs tors. theta energy: -175.427 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: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1889.511014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.511014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.511014 (E_RNA) where: Base-Base interactions energy: -1310.054 where: short stacking energy: -569.967 Base-Backbone interact. energy: -3.172 local terms energy: -576.284640 where: bonds (distance) C4'-P energy: -89.126 bonds (distance) P-C4' energy: -109.721 flat angles C4'-P-C4' energy: -133.682 flat angles P-C4'-P energy: -82.041 tors. eta vs tors. theta energy: -161.714 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: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1744.571125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.571125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.571125 (E_RNA) where: Base-Base interactions energy: -1190.518 where: short stacking energy: -528.033 Base-Backbone interact. energy: -0.639 local terms energy: -553.414315 where: bonds (distance) C4'-P energy: -115.821 bonds (distance) P-C4' energy: -110.265 flat angles C4'-P-C4' energy: -118.543 flat angles P-C4'-P energy: -75.020 tors. eta vs tors. theta energy: -133.765 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: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1547.761985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.761985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.761985 (E_RNA) where: Base-Base interactions energy: -1030.108 where: short stacking energy: -446.476 Base-Backbone interact. energy: -1.099 local terms energy: -516.555403 where: bonds (distance) C4'-P energy: -102.361 bonds (distance) P-C4' energy: -113.803 flat angles C4'-P-C4' energy: -121.196 flat angles P-C4'-P energy: -69.650 tors. eta vs tors. theta energy: -109.545 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: 7, replica: 8 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1329.314937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.314937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.314937 (E_RNA) where: Base-Base interactions energy: -820.477 where: short stacking energy: -385.438 Base-Backbone interact. energy: -1.952 local terms energy: -506.886698 where: bonds (distance) C4'-P energy: -107.009 bonds (distance) P-C4' energy: -121.074 flat angles C4'-P-C4' energy: -96.387 flat angles P-C4'-P energy: -80.679 tors. eta vs tors. theta energy: -101.738 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: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1072.702522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.702522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.702522 (E_RNA) where: Base-Base interactions energy: -656.497 where: short stacking energy: -304.654 Base-Backbone interact. energy: 0.230 local terms energy: -416.435759 where: bonds (distance) C4'-P energy: -88.675 bonds (distance) P-C4' energy: -110.316 flat angles C4'-P-C4' energy: -107.524 flat angles P-C4'-P energy: -64.153 tors. eta vs tors. theta energy: -45.768 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: 9, replica: 3 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -851.204843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.204843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.204843 (E_RNA) where: Base-Base interactions energy: -476.151 where: short stacking energy: -212.457 Base-Backbone interact. energy: -0.688 local terms energy: -374.366703 where: bonds (distance) C4'-P energy: -107.598 bonds (distance) P-C4' energy: -115.499 flat angles C4'-P-C4' energy: -81.355 flat angles P-C4'-P energy: -52.071 tors. eta vs tors. theta energy: -17.845 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: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -653.298078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.298078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.298078 (E_RNA) where: Base-Base interactions energy: -314.756 where: short stacking energy: -185.832 Base-Backbone interact. energy: -1.110 local terms energy: -337.431702 where: bonds (distance) C4'-P energy: -105.222 bonds (distance) P-C4' energy: -106.214 flat angles C4'-P-C4' energy: -74.859 flat angles P-C4'-P energy: -57.576 tors. eta vs tors. theta energy: 6.440 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: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2248.321350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.321350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.321350 (E_RNA) where: Base-Base interactions energy: -1561.339 where: short stacking energy: -630.716 Base-Backbone interact. energy: 1.849 local terms energy: -688.832291 where: bonds (distance) C4'-P energy: -130.674 bonds (distance) P-C4' energy: -126.326 flat angles C4'-P-C4' energy: -142.045 flat angles P-C4'-P energy: -96.153 tors. eta vs tors. theta energy: -193.634 Dist. restrs. and SS energy: 0.000 (S_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: -2075.019803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.019803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.019803 (E_RNA) where: Base-Base interactions energy: -1423.179 where: short stacking energy: -616.866 Base-Backbone interact. energy: 0.976 local terms energy: -652.816688 where: bonds (distance) C4'-P energy: -123.348 bonds (distance) P-C4' energy: -123.440 flat angles C4'-P-C4' energy: -144.197 flat angles P-C4'-P energy: -81.140 tors. eta vs tors. theta energy: -180.692 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: 3, replica: 7 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1974.745112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.745112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.745112 (E_RNA) where: Base-Base interactions energy: -1351.233 where: short stacking energy: -584.970 Base-Backbone interact. energy: -0.710 local terms energy: -622.801370 where: bonds (distance) C4'-P energy: -109.003 bonds (distance) P-C4' energy: -119.809 flat angles C4'-P-C4' energy: -138.930 flat angles P-C4'-P energy: -83.235 tors. eta vs tors. theta energy: -171.824 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: 4, replica: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1898.856640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.856640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.856640 (E_RNA) where: Base-Base interactions energy: -1311.052 where: short stacking energy: -568.051 Base-Backbone interact. energy: -0.765 local terms energy: -587.039520 where: bonds (distance) C4'-P energy: -106.920 bonds (distance) P-C4' energy: -119.406 flat angles C4'-P-C4' energy: -114.149 flat angles P-C4'-P energy: -83.967 tors. eta vs tors. theta energy: -162.598 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: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1709.716226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.716226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.716226 (E_RNA) where: Base-Base interactions energy: -1141.585 where: short stacking energy: -509.501 Base-Backbone interact. energy: -1.520 local terms energy: -566.611565 where: bonds (distance) C4'-P energy: -112.172 bonds (distance) P-C4' energy: -110.816 flat angles C4'-P-C4' energy: -137.965 flat angles P-C4'-P energy: -74.335 tors. eta vs tors. theta energy: -131.323 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: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1590.892772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.892772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.892772 (E_RNA) where: Base-Base interactions energy: -1034.425 where: short stacking energy: -443.997 Base-Backbone interact. energy: -2.657 local terms energy: -553.811023 where: bonds (distance) C4'-P energy: -112.870 bonds (distance) P-C4' energy: -126.809 flat angles C4'-P-C4' energy: -123.523 flat angles P-C4'-P energy: -89.955 tors. eta vs tors. theta energy: -100.654 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: 8 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1360.724448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.724448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.724448 (E_RNA) where: Base-Base interactions energy: -848.411 where: short stacking energy: -414.848 Base-Backbone interact. energy: 0.269 local terms energy: -512.582727 where: bonds (distance) C4'-P energy: -114.503 bonds (distance) P-C4' energy: -109.081 flat angles C4'-P-C4' energy: -104.813 flat angles P-C4'-P energy: -75.530 tors. eta vs tors. theta energy: -108.656 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: 8, replica: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1114.901301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.901301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.901301 (E_RNA) where: Base-Base interactions energy: -698.462 where: short stacking energy: -338.230 Base-Backbone interact. energy: 0.470 local terms energy: -416.909252 where: bonds (distance) C4'-P energy: -92.393 bonds (distance) P-C4' energy: -107.644 flat angles C4'-P-C4' energy: -101.154 flat angles P-C4'-P energy: -56.779 tors. eta vs tors. theta energy: -58.940 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: 3 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -811.756342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.756342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.756342 (E_RNA) where: Base-Base interactions energy: -433.485 where: short stacking energy: -214.632 Base-Backbone interact. energy: -2.062 local terms energy: -376.210171 where: bonds (distance) C4'-P energy: -106.885 bonds (distance) P-C4' energy: -113.187 flat angles C4'-P-C4' energy: -78.451 flat angles P-C4'-P energy: -65.475 tors. eta vs tors. theta energy: -12.212 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: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -645.227272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.227272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.227272 (E_RNA) where: Base-Base interactions energy: -319.168 where: short stacking energy: -200.644 Base-Backbone interact. energy: -1.849 local terms energy: -324.210524 where: bonds (distance) C4'-P energy: -82.262 bonds (distance) P-C4' energy: -73.641 flat angles C4'-P-C4' energy: -92.612 flat angles P-C4'-P energy: -62.293 tors. eta vs tors. theta energy: -13.403 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: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2233.733655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.733655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.733655 (E_RNA) where: Base-Base interactions energy: -1561.264 where: short stacking energy: -638.637 Base-Backbone interact. energy: 3.476 local terms energy: -675.946011 where: bonds (distance) C4'-P energy: -122.070 bonds (distance) P-C4' energy: -132.525 flat angles C4'-P-C4' energy: -140.760 flat angles P-C4'-P energy: -93.932 tors. eta vs tors. theta energy: -186.660 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: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2098.328323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.328323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.328323 (E_RNA) where: Base-Base interactions energy: -1454.243 where: short stacking energy: -607.244 Base-Backbone interact. energy: -2.163 local terms energy: -641.922865 where: bonds (distance) C4'-P energy: -109.621 bonds (distance) P-C4' energy: -130.100 flat angles C4'-P-C4' energy: -135.202 flat angles P-C4'-P energy: -97.548 tors. eta vs tors. theta energy: -169.452 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: 3, replica: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1997.453575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.453575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.453575 (E_RNA) where: Base-Base interactions energy: -1364.043 where: short stacking energy: -590.588 Base-Backbone interact. energy: -4.819 local terms energy: -628.591312 where: bonds (distance) C4'-P energy: -121.385 bonds (distance) P-C4' energy: -103.966 flat angles C4'-P-C4' energy: -137.589 flat angles P-C4'-P energy: -90.399 tors. eta vs tors. theta energy: -175.253 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: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1901.015385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.015385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.015385 (E_RNA) where: Base-Base interactions energy: -1313.575 where: short stacking energy: -562.085 Base-Backbone interact. energy: 0.964 local terms energy: -588.404211 where: bonds (distance) C4'-P energy: -114.495 bonds (distance) P-C4' energy: -116.659 flat angles C4'-P-C4' energy: -132.088 flat angles P-C4'-P energy: -75.583 tors. eta vs tors. theta energy: -149.579 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: 5, replica: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1748.141264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.141264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.141264 (E_RNA) where: Base-Base interactions energy: -1208.341 where: short stacking energy: -495.443 Base-Backbone interact. energy: 7.130 local terms energy: -546.930045 where: bonds (distance) C4'-P energy: -108.081 bonds (distance) P-C4' energy: -97.740 flat angles C4'-P-C4' energy: -127.537 flat angles P-C4'-P energy: -86.203 tors. eta vs tors. theta energy: -127.369 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: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1568.261733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.261733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.261733 (E_RNA) where: Base-Base interactions energy: -1066.632 where: short stacking energy: -432.392 Base-Backbone interact. energy: -1.590 local terms energy: -500.039787 where: bonds (distance) C4'-P energy: -102.362 bonds (distance) P-C4' energy: -110.807 flat angles C4'-P-C4' energy: -105.482 flat angles P-C4'-P energy: -73.140 tors. eta vs tors. theta energy: -108.248 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: 7, replica: 8 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1284.642976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.642976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.642976 (E_RNA) where: Base-Base interactions energy: -823.354 where: short stacking energy: -385.456 Base-Backbone interact. energy: -0.043 local terms energy: -461.246079 where: bonds (distance) C4'-P energy: -100.913 bonds (distance) P-C4' energy: -115.540 flat angles C4'-P-C4' energy: -104.659 flat angles P-C4'-P energy: -64.966 tors. eta vs tors. theta energy: -75.168 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: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1113.102805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.102805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.102805 (E_RNA) where: Base-Base interactions energy: -676.473 where: short stacking energy: -325.072 Base-Backbone interact. energy: 0.145 local terms energy: -436.775190 where: bonds (distance) C4'-P energy: -105.736 bonds (distance) P-C4' energy: -104.205 flat angles C4'-P-C4' energy: -96.825 flat angles P-C4'-P energy: -53.731 tors. eta vs tors. theta energy: -76.277 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: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -830.140577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.140577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.140577 (E_RNA) where: Base-Base interactions energy: -460.605 where: short stacking energy: -233.257 Base-Backbone interact. energy: 1.670 local terms energy: -371.205557 where: bonds (distance) C4'-P energy: -107.579 bonds (distance) P-C4' energy: -104.949 flat angles C4'-P-C4' energy: -82.560 flat angles P-C4'-P energy: -55.761 tors. eta vs tors. theta energy: -20.356 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: 10, replica: 5 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -691.297100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.297100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.297100 (E_RNA) where: Base-Base interactions energy: -350.775 where: short stacking energy: -191.570 Base-Backbone interact. energy: -1.639 local terms energy: -338.883254 where: bonds (distance) C4'-P energy: -99.602 bonds (distance) P-C4' energy: -109.227 flat angles C4'-P-C4' energy: -107.802 flat angles P-C4'-P energy: -32.311 tors. eta vs tors. theta energy: 10.057 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: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2229.169818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.169818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.169818 (E_RNA) where: Base-Base interactions energy: -1543.962 where: short stacking energy: -633.674 Base-Backbone interact. energy: -8.249 local terms energy: -676.958673 where: bonds (distance) C4'-P energy: -136.634 bonds (distance) P-C4' energy: -115.764 flat angles C4'-P-C4' energy: -141.524 flat angles P-C4'-P energy: -94.604 tors. eta vs tors. theta energy: -188.434 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: 7 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2065.384673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.384673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.384673 (E_RNA) where: Base-Base interactions energy: -1410.512 where: short stacking energy: -594.161 Base-Backbone interact. energy: -2.182 local terms energy: -652.690226 where: bonds (distance) C4'-P energy: -120.038 bonds (distance) P-C4' energy: -133.086 flat angles C4'-P-C4' energy: -142.436 flat angles P-C4'-P energy: -86.568 tors. eta vs tors. theta energy: -170.561 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: 3, replica: 10 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2043.946426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.946426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.946426 (E_RNA) where: Base-Base interactions energy: -1408.835 where: short stacking energy: -607.108 Base-Backbone interact. energy: -3.350 local terms energy: -631.760947 where: bonds (distance) C4'-P energy: -106.522 bonds (distance) P-C4' energy: -118.846 flat angles C4'-P-C4' energy: -147.848 flat angles P-C4'-P energy: -96.383 tors. eta vs tors. theta energy: -162.162 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: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1884.439401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.439401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.439401 (E_RNA) where: Base-Base interactions energy: -1281.325 where: short stacking energy: -539.366 Base-Backbone interact. energy: 1.978 local terms energy: -605.092707 where: bonds (distance) C4'-P energy: -100.773 bonds (distance) P-C4' energy: -128.577 flat angles C4'-P-C4' energy: -145.909 flat angles P-C4'-P energy: -79.195 tors. eta vs tors. theta energy: -150.638 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: 5, replica: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1764.358582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.358582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.358582 (E_RNA) where: Base-Base interactions energy: -1196.010 where: short stacking energy: -516.921 Base-Backbone interact. energy: 6.841 local terms energy: -575.189183 where: bonds (distance) C4'-P energy: -92.639 bonds (distance) P-C4' energy: -122.395 flat angles C4'-P-C4' energy: -127.598 flat angles P-C4'-P energy: -84.901 tors. eta vs tors. theta energy: -147.655 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: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1558.539562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.539562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.539562 (E_RNA) where: Base-Base interactions energy: -1033.278 where: short stacking energy: -455.965 Base-Backbone interact. energy: -3.646 local terms energy: -521.615528 where: bonds (distance) C4'-P energy: -103.768 bonds (distance) P-C4' energy: -113.141 flat angles C4'-P-C4' energy: -115.445 flat angles P-C4'-P energy: -69.597 tors. eta vs tors. theta energy: -119.664 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: 8 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1300.984503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.984503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.984503 (E_RNA) where: Base-Base interactions energy: -827.503 where: short stacking energy: -372.995 Base-Backbone interact. energy: 3.356 local terms energy: -476.837427 where: bonds (distance) C4'-P energy: -94.554 bonds (distance) P-C4' energy: -112.710 flat angles C4'-P-C4' energy: -121.019 flat angles P-C4'-P energy: -70.208 tors. eta vs tors. theta energy: -78.345 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: 8, replica: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1007.531423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.531423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.531423 (E_RNA) where: Base-Base interactions energy: -599.937 where: short stacking energy: -286.180 Base-Backbone interact. energy: -0.295 local terms energy: -407.299069 where: bonds (distance) C4'-P energy: -103.157 bonds (distance) P-C4' energy: -113.717 flat angles C4'-P-C4' energy: -99.158 flat angles P-C4'-P energy: -55.381 tors. eta vs tors. theta energy: -35.886 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: 9, replica: 3 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -894.327142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.327142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.327142 (E_RNA) where: Base-Base interactions energy: -513.989 where: short stacking energy: -233.000 Base-Backbone interact. energy: 3.200 local terms energy: -383.537546 where: bonds (distance) C4'-P energy: -108.379 bonds (distance) P-C4' energy: -107.203 flat angles C4'-P-C4' energy: -93.656 flat angles P-C4'-P energy: -49.304 tors. eta vs tors. theta energy: -24.996 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: 10, replica: 5 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -661.010391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.010391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.010391 (E_RNA) where: Base-Base interactions energy: -318.018 where: short stacking energy: -175.524 Base-Backbone interact. energy: 4.907 local terms energy: -347.898847 where: bonds (distance) C4'-P energy: -86.362 bonds (distance) P-C4' energy: -126.258 flat angles C4'-P-C4' energy: -95.623 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: 4.753 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: 1, replica: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2220.663737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.663737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.663737 (E_RNA) where: Base-Base interactions energy: -1573.770 where: short stacking energy: -622.469 Base-Backbone interact. energy: -2.915 local terms energy: -643.978733 where: bonds (distance) C4'-P energy: -114.572 bonds (distance) P-C4' energy: -116.844 flat angles C4'-P-C4' energy: -135.491 flat angles P-C4'-P energy: -92.145 tors. eta vs tors. theta energy: -184.927 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: 2, replica: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2065.887860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.887860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.887860 (E_RNA) where: Base-Base interactions energy: -1398.547 where: short stacking energy: -618.505 Base-Backbone interact. energy: -0.617 local terms energy: -666.723942 where: bonds (distance) C4'-P energy: -122.568 bonds (distance) P-C4' energy: -115.066 flat angles C4'-P-C4' energy: -147.697 flat angles P-C4'-P energy: -96.712 tors. eta vs tors. theta energy: -184.680 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: 3, replica: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2026.775412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.775412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.775412 (E_RNA) where: Base-Base interactions energy: -1408.208 where: short stacking energy: -599.914 Base-Backbone interact. energy: -1.938 local terms energy: -616.629892 where: bonds (distance) C4'-P energy: -100.896 bonds (distance) P-C4' energy: -111.799 flat angles C4'-P-C4' energy: -136.437 flat angles P-C4'-P energy: -97.640 tors. eta vs tors. theta energy: -169.858 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: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1916.838509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.838509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.838509 (E_RNA) where: Base-Base interactions energy: -1286.110 where: short stacking energy: -541.416 Base-Backbone interact. energy: -2.640 local terms energy: -628.088506 where: bonds (distance) C4'-P energy: -107.706 bonds (distance) P-C4' energy: -122.546 flat angles C4'-P-C4' energy: -141.938 flat angles P-C4'-P energy: -92.581 tors. eta vs tors. theta energy: -163.318 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: 5, replica: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1694.245639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.245639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.245639 (E_RNA) where: Base-Base interactions energy: -1156.420 where: short stacking energy: -493.954 Base-Backbone interact. energy: 0.286 local terms energy: -538.111679 where: bonds (distance) C4'-P energy: -89.627 bonds (distance) P-C4' energy: -116.254 flat angles C4'-P-C4' energy: -132.399 flat angles P-C4'-P energy: -70.332 tors. eta vs tors. theta energy: -129.500 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: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1607.126515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.126515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.126515 (E_RNA) where: Base-Base interactions energy: -1063.167 where: short stacking energy: -479.982 Base-Backbone interact. energy: -2.438 local terms energy: -541.521715 where: bonds (distance) C4'-P energy: -102.555 bonds (distance) P-C4' energy: -126.316 flat angles C4'-P-C4' energy: -110.757 flat angles P-C4'-P energy: -74.360 tors. eta vs tors. theta energy: -127.533 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: 7, replica: 8 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1329.813547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.813547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.813547 (E_RNA) where: Base-Base interactions energy: -843.943 where: short stacking energy: -409.337 Base-Backbone interact. energy: 3.304 local terms energy: -489.174448 where: bonds (distance) C4'-P energy: -111.272 bonds (distance) P-C4' energy: -95.455 flat angles C4'-P-C4' energy: -122.071 flat angles P-C4'-P energy: -71.781 tors. eta vs tors. theta energy: -88.595 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: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1052.338421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.338421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.338421 (E_RNA) where: Base-Base interactions energy: -625.500 where: short stacking energy: -289.986 Base-Backbone interact. energy: -1.930 local terms energy: -424.908545 where: bonds (distance) C4'-P energy: -96.182 bonds (distance) P-C4' energy: -109.074 flat angles C4'-P-C4' energy: -114.768 flat angles P-C4'-P energy: -59.740 tors. eta vs tors. theta energy: -45.145 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: 3 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -906.491010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.491010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.491010 (E_RNA) where: Base-Base interactions energy: -494.033 where: short stacking energy: -254.846 Base-Backbone interact. energy: -1.914 local terms energy: -410.544197 where: bonds (distance) C4'-P energy: -98.147 bonds (distance) P-C4' energy: -114.064 flat angles C4'-P-C4' energy: -105.798 flat angles P-C4'-P energy: -54.859 tors. eta vs tors. theta energy: -37.676 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: 10, replica: 5 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -688.201411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.201411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.201411 (E_RNA) where: Base-Base interactions energy: -357.790 where: short stacking energy: -214.454 Base-Backbone interact. energy: 4.594 local terms energy: -335.004855 where: bonds (distance) C4'-P energy: -97.531 bonds (distance) P-C4' energy: -88.385 flat angles C4'-P-C4' energy: -76.434 flat angles P-C4'-P energy: -68.052 tors. eta vs tors. theta energy: -4.603 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: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2259.944890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.944890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.944890 (E_RNA) where: Base-Base interactions energy: -1564.976 where: short stacking energy: -627.865 Base-Backbone interact. energy: -7.989 local terms energy: -686.980069 where: bonds (distance) C4'-P energy: -135.014 bonds (distance) P-C4' energy: -122.477 flat angles C4'-P-C4' energy: -144.448 flat angles P-C4'-P energy: -102.423 tors. eta vs tors. theta energy: -182.618 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: 2, replica: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2098.450417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.450417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.450417 (E_RNA) where: Base-Base interactions energy: -1402.450 where: short stacking energy: -615.649 Base-Backbone interact. energy: -0.142 local terms energy: -695.858130 where: bonds (distance) C4'-P energy: -132.630 bonds (distance) P-C4' energy: -137.149 flat angles C4'-P-C4' energy: -140.321 flat angles P-C4'-P energy: -98.024 tors. eta vs tors. theta energy: -187.734 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: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2010.800893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.800893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.800893 (E_RNA) where: Base-Base interactions energy: -1385.754 where: short stacking energy: -597.849 Base-Backbone interact. energy: -3.490 local terms energy: -621.557260 where: bonds (distance) C4'-P energy: -110.381 bonds (distance) P-C4' energy: -108.198 flat angles C4'-P-C4' energy: -147.665 flat angles P-C4'-P energy: -82.109 tors. eta vs tors. theta energy: -173.204 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: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1945.375516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.375516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.375516 (E_RNA) where: Base-Base interactions energy: -1338.211 where: short stacking energy: -569.803 Base-Backbone interact. energy: -2.863 local terms energy: -604.302026 where: bonds (distance) C4'-P energy: -117.654 bonds (distance) P-C4' energy: -119.376 flat angles C4'-P-C4' energy: -124.566 flat angles P-C4'-P energy: -83.965 tors. eta vs tors. theta energy: -158.741 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: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1724.987018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.987018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.987018 (E_RNA) where: Base-Base interactions energy: -1152.645 where: short stacking energy: -505.513 Base-Backbone interact. energy: -3.323 local terms energy: -569.019108 where: bonds (distance) C4'-P energy: -111.468 bonds (distance) P-C4' energy: -115.190 flat angles C4'-P-C4' energy: -124.208 flat angles P-C4'-P energy: -79.499 tors. eta vs tors. theta energy: -138.654 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: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1566.450867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.450867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.450867 (E_RNA) where: Base-Base interactions energy: -1039.019 where: short stacking energy: -477.206 Base-Backbone interact. energy: -2.729 local terms energy: -524.703460 where: bonds (distance) C4'-P energy: -104.267 bonds (distance) P-C4' energy: -96.955 flat angles C4'-P-C4' energy: -120.704 flat angles P-C4'-P energy: -81.695 tors. eta vs tors. theta energy: -121.083 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: 7, replica: 8 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1310.870630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.870630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.870630 (E_RNA) where: Base-Base interactions energy: -837.203 where: short stacking energy: -370.641 Base-Backbone interact. energy: -0.190 local terms energy: -473.477467 where: bonds (distance) C4'-P energy: -109.440 bonds (distance) P-C4' energy: -114.742 flat angles C4'-P-C4' energy: -110.496 flat angles P-C4'-P energy: -69.386 tors. eta vs tors. theta energy: -69.415 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: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1030.228887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.228887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.228887 (E_RNA) where: Base-Base interactions energy: -607.919 where: short stacking energy: -306.462 Base-Backbone interact. energy: -1.123 local terms energy: -421.186313 where: bonds (distance) C4'-P energy: -114.792 bonds (distance) P-C4' energy: -102.956 flat angles C4'-P-C4' energy: -90.794 flat angles P-C4'-P energy: -66.351 tors. eta vs tors. theta energy: -46.293 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: 3 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -951.040775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.040775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.040775 (E_RNA) where: Base-Base interactions energy: -570.997 where: short stacking energy: -275.432 Base-Backbone interact. energy: 1.125 local terms energy: -381.168517 where: bonds (distance) C4'-P energy: -99.692 bonds (distance) P-C4' energy: -81.198 flat angles C4'-P-C4' energy: -111.952 flat angles P-C4'-P energy: -56.841 tors. eta vs tors. theta energy: -31.486 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: 10, replica: 5 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -676.709828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.709828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.709828 (E_RNA) where: Base-Base interactions energy: -316.162 where: short stacking energy: -157.982 Base-Backbone interact. energy: -0.840 local terms energy: -359.707889 where: bonds (distance) C4'-P energy: -84.189 bonds (distance) P-C4' energy: -106.235 flat angles C4'-P-C4' energy: -93.130 flat angles P-C4'-P energy: -78.237 tors. eta vs tors. theta energy: 2.083 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: 192 Temperature: 0.900000 Total energy: -2202.898061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.898061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.898061 (E_RNA) where: Base-Base interactions energy: -1541.794 where: short stacking energy: -600.500 Base-Backbone interact. energy: 1.630 local terms energy: -662.733295 where: bonds (distance) C4'-P energy: -128.550 bonds (distance) P-C4' energy: -129.804 flat angles C4'-P-C4' energy: -134.881 flat angles P-C4'-P energy: -93.937 tors. eta vs tors. theta energy: -175.562 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: 2, replica: 7 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2104.554479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.554479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.554479 (E_RNA) where: Base-Base interactions energy: -1432.935 where: short stacking energy: -634.340 Base-Backbone interact. energy: -2.392 local terms energy: -669.226909 where: bonds (distance) C4'-P energy: -113.203 bonds (distance) P-C4' energy: -122.245 flat angles C4'-P-C4' energy: -139.865 flat angles P-C4'-P energy: -106.249 tors. eta vs tors. theta energy: -187.665 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: 3, replica: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1976.266357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.266357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.266357 (E_RNA) where: Base-Base interactions energy: -1354.269 where: short stacking energy: -559.633 Base-Backbone interact. energy: -3.393 local terms energy: -618.604430 where: bonds (distance) C4'-P energy: -115.883 bonds (distance) P-C4' energy: -110.232 flat angles C4'-P-C4' energy: -140.296 flat angles P-C4'-P energy: -92.661 tors. eta vs tors. theta energy: -159.532 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: 4, replica: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1868.687572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.687572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.687572 (E_RNA) where: Base-Base interactions energy: -1273.054 where: short stacking energy: -538.750 Base-Backbone interact. energy: -1.645 local terms energy: -593.989171 where: bonds (distance) C4'-P energy: -113.106 bonds (distance) P-C4' energy: -98.607 flat angles C4'-P-C4' energy: -134.726 flat angles P-C4'-P energy: -93.650 tors. eta vs tors. theta energy: -153.899 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: 192 Temperature: 1.100000 Total energy: -1749.262113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.262113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.262113 (E_RNA) where: Base-Base interactions energy: -1188.459 where: short stacking energy: -509.975 Base-Backbone interact. energy: -1.148 local terms energy: -559.654857 where: bonds (distance) C4'-P energy: -105.218 bonds (distance) P-C4' energy: -117.534 flat angles C4'-P-C4' energy: -112.631 flat angles P-C4'-P energy: -89.726 tors. eta vs tors. theta energy: -134.547 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: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1579.982051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.982051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.982051 (E_RNA) where: Base-Base interactions energy: -1048.708 where: short stacking energy: -471.268 Base-Backbone interact. energy: 2.171 local terms energy: -533.444655 where: bonds (distance) C4'-P energy: -103.185 bonds (distance) P-C4' energy: -113.687 flat angles C4'-P-C4' energy: -118.530 flat angles P-C4'-P energy: -74.263 tors. eta vs tors. theta energy: -123.780 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: 7, replica: 8 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1349.049214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.049214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.049214 (E_RNA) where: Base-Base interactions energy: -852.897 where: short stacking energy: -369.302 Base-Backbone interact. energy: -3.213 local terms energy: -492.939590 where: bonds (distance) C4'-P energy: -114.543 bonds (distance) P-C4' energy: -115.553 flat angles C4'-P-C4' energy: -108.546 flat angles P-C4'-P energy: -75.252 tors. eta vs tors. theta energy: -79.046 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: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1047.314426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.314426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.314426 (E_RNA) where: Base-Base interactions energy: -667.403 where: short stacking energy: -309.344 Base-Backbone interact. energy: 3.086 local terms energy: -382.996820 where: bonds (distance) C4'-P energy: -89.588 bonds (distance) P-C4' energy: -82.105 flat angles C4'-P-C4' energy: -94.326 flat angles P-C4'-P energy: -66.242 tors. eta vs tors. theta energy: -50.735 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: 9, replica: 3 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -888.309162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.309162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.309162 (E_RNA) where: Base-Base interactions energy: -482.597 where: short stacking energy: -251.421 Base-Backbone interact. energy: -2.079 local terms energy: -403.633270 where: bonds (distance) C4'-P energy: -107.425 bonds (distance) P-C4' energy: -113.892 flat angles C4'-P-C4' energy: -96.019 flat angles P-C4'-P energy: -48.334 tors. eta vs tors. theta energy: -37.964 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: 5 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -666.301601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.301601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.301601 (E_RNA) where: Base-Base interactions energy: -331.461 where: short stacking energy: -184.184 Base-Backbone interact. energy: -0.726 local terms energy: -334.114871 where: bonds (distance) C4'-P energy: -100.513 bonds (distance) P-C4' energy: -101.452 flat angles C4'-P-C4' energy: -79.457 flat angles P-C4'-P energy: -63.199 tors. eta vs tors. theta energy: 10.506 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: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2245.729543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.729543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.729543 (E_RNA) where: Base-Base interactions energy: -1570.638 where: short stacking energy: -660.698 Base-Backbone interact. energy: -5.709 local terms energy: -669.382462 where: bonds (distance) C4'-P energy: -114.143 bonds (distance) P-C4' energy: -127.738 flat angles C4'-P-C4' energy: -139.295 flat angles P-C4'-P energy: -101.126 tors. eta vs tors. theta energy: -187.081 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: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2076.698891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.698891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.698891 (E_RNA) where: Base-Base interactions energy: -1424.809 where: short stacking energy: -602.167 Base-Backbone interact. energy: -1.974 local terms energy: -649.915877 where: bonds (distance) C4'-P energy: -118.224 bonds (distance) P-C4' energy: -135.546 flat angles C4'-P-C4' energy: -136.156 flat angles P-C4'-P energy: -86.266 tors. eta vs tors. theta energy: -173.724 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: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2060.297878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.297878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.297878 (E_RNA) where: Base-Base interactions energy: -1404.421 where: short stacking energy: -601.863 Base-Backbone interact. energy: -3.006 local terms energy: -652.870644 where: bonds (distance) C4'-P energy: -130.229 bonds (distance) P-C4' energy: -124.674 flat angles C4'-P-C4' energy: -126.381 flat angles P-C4'-P energy: -88.142 tors. eta vs tors. theta energy: -183.445 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: 4, replica: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1842.482698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.482698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.482698 (E_RNA) where: Base-Base interactions energy: -1264.831 where: short stacking energy: -536.934 Base-Backbone interact. energy: -1.021 local terms energy: -576.630666 where: bonds (distance) C4'-P energy: -117.623 bonds (distance) P-C4' energy: -115.495 flat angles C4'-P-C4' energy: -126.279 flat angles P-C4'-P energy: -64.572 tors. eta vs tors. theta energy: -152.662 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: 5, replica: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1724.588652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.588652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.588652 (E_RNA) where: Base-Base interactions energy: -1168.759 where: short stacking energy: -514.534 Base-Backbone interact. energy: 0.120 local terms energy: -555.950285 where: bonds (distance) C4'-P energy: -97.965 bonds (distance) P-C4' energy: -120.147 flat angles C4'-P-C4' energy: -134.456 flat angles P-C4'-P energy: -65.357 tors. eta vs tors. theta energy: -138.025 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: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1626.660753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.660753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.660753 (E_RNA) where: Base-Base interactions energy: -1085.508 where: short stacking energy: -474.161 Base-Backbone interact. energy: -2.891 local terms energy: -538.262110 where: bonds (distance) C4'-P energy: -119.848 bonds (distance) P-C4' energy: -97.235 flat angles C4'-P-C4' energy: -121.297 flat angles P-C4'-P energy: -71.779 tors. eta vs tors. theta energy: -128.104 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: 193 Temperature: 1.200000 Total energy: -1315.370555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.370555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.370555 (E_RNA) where: Base-Base interactions energy: -830.202 where: short stacking energy: -371.693 Base-Backbone interact. energy: 3.389 local terms energy: -488.557239 where: bonds (distance) C4'-P energy: -97.804 bonds (distance) P-C4' energy: -118.875 flat angles C4'-P-C4' energy: -112.749 flat angles P-C4'-P energy: -75.143 tors. eta vs tors. theta energy: -83.986 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: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1171.145286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.145286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.145286 (E_RNA) where: Base-Base interactions energy: -740.187 where: short stacking energy: -338.077 Base-Backbone interact. energy: -0.841 local terms energy: -430.117750 where: bonds (distance) C4'-P energy: -97.474 bonds (distance) P-C4' energy: -99.300 flat angles C4'-P-C4' energy: -106.491 flat angles P-C4'-P energy: -59.958 tors. eta vs tors. theta energy: -66.895 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: 9, replica: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -846.920062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.920062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.920062 (E_RNA) where: Base-Base interactions energy: -440.167 where: short stacking energy: -230.205 Base-Backbone interact. energy: 0.712 local terms energy: -407.465358 where: bonds (distance) C4'-P energy: -100.996 bonds (distance) P-C4' energy: -112.902 flat angles C4'-P-C4' energy: -119.463 flat angles P-C4'-P energy: -49.428 tors. eta vs tors. theta energy: -24.676 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: 10, replica: 5 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -684.765573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.765573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.765573 (E_RNA) where: Base-Base interactions energy: -351.964 where: short stacking energy: -205.680 Base-Backbone interact. energy: -2.290 local terms energy: -330.511471 where: bonds (distance) C4'-P energy: -101.669 bonds (distance) P-C4' energy: -105.653 flat angles C4'-P-C4' energy: -82.307 flat angles P-C4'-P energy: -41.020 tors. eta vs tors. theta energy: 0.137 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: 1, replica: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2222.420894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.420894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.420894 (E_RNA) where: Base-Base interactions energy: -1572.744 where: short stacking energy: -629.712 Base-Backbone interact. energy: -0.777 local terms energy: -648.899410 where: bonds (distance) C4'-P energy: -125.234 bonds (distance) P-C4' energy: -118.558 flat angles C4'-P-C4' energy: -145.176 flat angles P-C4'-P energy: -78.875 tors. eta vs tors. theta energy: -181.056 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: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2089.616144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.616144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.616144 (E_RNA) where: Base-Base interactions energy: -1415.587 where: short stacking energy: -596.800 Base-Backbone interact. energy: -4.432 local terms energy: -669.596696 where: bonds (distance) C4'-P energy: -130.611 bonds (distance) P-C4' energy: -132.544 flat angles C4'-P-C4' energy: -129.106 flat angles P-C4'-P energy: -93.309 tors. eta vs tors. theta energy: -184.027 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: 3, replica: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2038.117313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.117313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.117313 (E_RNA) where: Base-Base interactions energy: -1413.069 where: short stacking energy: -636.541 Base-Backbone interact. energy: -2.117 local terms energy: -622.931649 where: bonds (distance) C4'-P energy: -111.622 bonds (distance) P-C4' energy: -111.551 flat angles C4'-P-C4' energy: -139.546 flat angles P-C4'-P energy: -79.969 tors. eta vs tors. theta energy: -180.244 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: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1878.392645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.392645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.392645 (E_RNA) where: Base-Base interactions energy: -1281.418 where: short stacking energy: -566.658 Base-Backbone interact. energy: 3.932 local terms energy: -600.906349 where: bonds (distance) C4'-P energy: -105.772 bonds (distance) P-C4' energy: -120.506 flat angles C4'-P-C4' energy: -131.526 flat angles P-C4'-P energy: -87.496 tors. eta vs tors. theta energy: -155.607 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: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1731.211759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.211759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.211759 (E_RNA) where: Base-Base interactions energy: -1177.192 where: short stacking energy: -490.473 Base-Backbone interact. energy: -4.346 local terms energy: -549.673260 where: bonds (distance) C4'-P energy: -115.717 bonds (distance) P-C4' energy: -99.844 flat angles C4'-P-C4' energy: -121.710 flat angles P-C4'-P energy: -88.850 tors. eta vs tors. theta energy: -123.552 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: 6, replica: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1632.066800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.066800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.066800 (E_RNA) where: Base-Base interactions energy: -1115.847 where: short stacking energy: -453.133 Base-Backbone interact. energy: -2.291 local terms energy: -513.928636 where: bonds (distance) C4'-P energy: -101.895 bonds (distance) P-C4' energy: -98.245 flat angles C4'-P-C4' energy: -124.111 flat angles P-C4'-P energy: -80.828 tors. eta vs tors. theta energy: -108.849 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: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1314.786052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.786052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.786052 (E_RNA) where: Base-Base interactions energy: -827.971 where: short stacking energy: -384.669 Base-Backbone interact. energy: -2.163 local terms energy: -484.651597 where: bonds (distance) C4'-P energy: -102.163 bonds (distance) P-C4' energy: -107.672 flat angles C4'-P-C4' energy: -133.375 flat angles P-C4'-P energy: -54.484 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: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1135.752543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.752543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.752543 (E_RNA) where: Base-Base interactions energy: -686.659 where: short stacking energy: -303.698 Base-Backbone interact. energy: 3.517 local terms energy: -452.610136 where: bonds (distance) C4'-P energy: -106.861 bonds (distance) P-C4' energy: -119.923 flat angles C4'-P-C4' energy: -121.044 flat angles P-C4'-P energy: -61.890 tors. eta vs tors. theta energy: -42.893 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: 3 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -854.240846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.240846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.240846 (E_RNA) where: Base-Base interactions energy: -487.793 where: short stacking energy: -252.362 Base-Backbone interact. energy: -3.684 local terms energy: -362.764534 where: bonds (distance) C4'-P energy: -89.767 bonds (distance) P-C4' energy: -107.008 flat angles C4'-P-C4' energy: -94.626 flat angles P-C4'-P energy: -54.779 tors. eta vs tors. theta energy: -16.584 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: 10, replica: 5 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -704.129065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.129065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.129065 (E_RNA) where: Base-Base interactions energy: -368.090 where: short stacking energy: -215.913 Base-Backbone interact. energy: 2.347 local terms energy: -338.385541 where: bonds (distance) C4'-P energy: -102.149 bonds (distance) P-C4' energy: -94.961 flat angles C4'-P-C4' energy: -81.581 flat angles P-C4'-P energy: -50.365 tors. eta vs tors. theta energy: -9.330 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: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2243.281323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.281323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.281323 (E_RNA) where: Base-Base interactions energy: -1533.991 where: short stacking energy: -627.986 Base-Backbone interact. energy: -1.524 local terms energy: -707.766137 where: bonds (distance) C4'-P energy: -133.107 bonds (distance) P-C4' energy: -135.287 flat angles C4'-P-C4' energy: -158.479 flat angles P-C4'-P energy: -95.470 tors. eta vs tors. theta energy: -185.423 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: 195 Temperature: 0.950000 Total energy: -2107.675939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.675939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.675939 (E_RNA) where: Base-Base interactions energy: -1448.478 where: short stacking energy: -634.590 Base-Backbone interact. energy: -0.578 local terms energy: -658.620202 where: bonds (distance) C4'-P energy: -126.688 bonds (distance) P-C4' energy: -119.416 flat angles C4'-P-C4' energy: -140.040 flat angles P-C4'-P energy: -91.326 tors. eta vs tors. theta energy: -181.151 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: 3, replica: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1950.721792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.721792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.721792 (E_RNA) where: Base-Base interactions energy: -1340.133 where: short stacking energy: -571.402 Base-Backbone interact. energy: -4.764 local terms energy: -605.825205 where: bonds (distance) C4'-P energy: -117.416 bonds (distance) P-C4' energy: -120.084 flat angles C4'-P-C4' energy: -136.207 flat angles P-C4'-P energy: -79.658 tors. eta vs tors. theta energy: -152.460 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: 9 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1873.638744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.638744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.638744 (E_RNA) where: Base-Base interactions energy: -1292.005 where: short stacking energy: -580.547 Base-Backbone interact. energy: -1.986 local terms energy: -579.647286 where: bonds (distance) C4'-P energy: -95.306 bonds (distance) P-C4' energy: -117.404 flat angles C4'-P-C4' energy: -132.133 flat angles P-C4'-P energy: -85.051 tors. eta vs tors. theta energy: -149.754 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: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1756.961059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.961059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.961059 (E_RNA) where: Base-Base interactions energy: -1174.563 where: short stacking energy: -512.067 Base-Backbone interact. energy: -4.248 local terms energy: -578.150260 where: bonds (distance) C4'-P energy: -115.766 bonds (distance) P-C4' energy: -115.522 flat angles C4'-P-C4' energy: -129.407 flat angles P-C4'-P energy: -81.052 tors. eta vs tors. theta energy: -136.404 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: 6, replica: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1587.852870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.852870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.852870 (E_RNA) where: Base-Base interactions energy: -1072.356 where: short stacking energy: -454.902 Base-Backbone interact. energy: -0.650 local terms energy: -514.846499 where: bonds (distance) C4'-P energy: -118.528 bonds (distance) P-C4' energy: -117.864 flat angles C4'-P-C4' energy: -105.127 flat angles P-C4'-P energy: -63.182 tors. eta vs tors. theta energy: -110.146 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: 7, replica: 8 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1305.452430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.452430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.452430 (E_RNA) where: Base-Base interactions energy: -833.004 where: short stacking energy: -373.877 Base-Backbone interact. energy: 5.844 local terms energy: -478.292547 where: bonds (distance) C4'-P energy: -108.427 bonds (distance) P-C4' energy: -106.501 flat angles C4'-P-C4' energy: -115.717 flat angles P-C4'-P energy: -57.200 tors. eta vs tors. theta energy: -90.447 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: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1125.484590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.484590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.484590 (E_RNA) where: Base-Base interactions energy: -673.054 where: short stacking energy: -313.556 Base-Backbone interact. energy: 5.425 local terms energy: -457.855707 where: bonds (distance) C4'-P energy: -93.365 bonds (distance) P-C4' energy: -123.394 flat angles C4'-P-C4' energy: -122.412 flat angles P-C4'-P energy: -74.583 tors. eta vs tors. theta energy: -44.102 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: 3 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -835.696604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.696604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.696604 (E_RNA) where: Base-Base interactions energy: -470.398 where: short stacking energy: -234.990 Base-Backbone interact. energy: 2.557 local terms energy: -367.855104 where: bonds (distance) C4'-P energy: -90.471 bonds (distance) P-C4' energy: -127.595 flat angles C4'-P-C4' energy: -82.744 flat angles P-C4'-P energy: -52.856 tors. eta vs tors. theta energy: -14.190 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: 10, replica: 5 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -720.604229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.604229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.604229 (E_RNA) where: Base-Base interactions energy: -379.508 where: short stacking energy: -191.621 Base-Backbone interact. energy: 2.243 local terms energy: -343.339750 where: bonds (distance) C4'-P energy: -77.358 bonds (distance) P-C4' energy: -103.453 flat angles C4'-P-C4' energy: -100.629 flat angles P-C4'-P energy: -56.562 tors. eta vs tors. theta energy: -5.337 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: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2223.235203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.235203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.235203 (E_RNA) where: Base-Base interactions energy: -1553.863 where: short stacking energy: -622.398 Base-Backbone interact. energy: -5.294 local terms energy: -664.078431 where: bonds (distance) C4'-P energy: -110.675 bonds (distance) P-C4' energy: -137.066 flat angles C4'-P-C4' energy: -145.276 flat angles P-C4'-P energy: -98.741 tors. eta vs tors. theta energy: -172.321 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: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2083.137617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.137617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.137617 (E_RNA) where: Base-Base interactions energy: -1416.589 where: short stacking energy: -604.217 Base-Backbone interact. energy: -0.225 local terms energy: -666.323787 where: bonds (distance) C4'-P energy: -132.107 bonds (distance) P-C4' energy: -119.969 flat angles C4'-P-C4' energy: -143.169 flat angles P-C4'-P energy: -89.176 tors. eta vs tors. theta energy: -181.902 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: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1964.102467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.102467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.102467 (E_RNA) where: Base-Base interactions energy: -1331.269 where: short stacking energy: -597.703 Base-Backbone interact. energy: -0.161 local terms energy: -632.672834 where: bonds (distance) C4'-P energy: -113.644 bonds (distance) P-C4' energy: -121.271 flat angles C4'-P-C4' energy: -133.842 flat angles P-C4'-P energy: -95.247 tors. eta vs tors. theta energy: -168.668 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: 4, replica: 9 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1862.916177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.916177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.916177 (E_RNA) where: Base-Base interactions energy: -1261.820 where: short stacking energy: -565.876 Base-Backbone interact. energy: -1.186 local terms energy: -599.910607 where: bonds (distance) C4'-P energy: -114.953 bonds (distance) P-C4' energy: -110.878 flat angles C4'-P-C4' energy: -138.129 flat angles P-C4'-P energy: -85.365 tors. eta vs tors. theta energy: -150.585 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: 5, replica: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1720.737351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.737351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.737351 (E_RNA) where: Base-Base interactions energy: -1151.572 where: short stacking energy: -484.789 Base-Backbone interact. energy: -1.451 local terms energy: -567.714802 where: bonds (distance) C4'-P energy: -113.017 bonds (distance) P-C4' energy: -109.804 flat angles C4'-P-C4' energy: -122.933 flat angles P-C4'-P energy: -81.003 tors. eta vs tors. theta energy: -140.958 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: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1579.976749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.976749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.976749 (E_RNA) where: Base-Base interactions energy: -1063.870 where: short stacking energy: -432.613 Base-Backbone interact. energy: -0.606 local terms energy: -515.501213 where: bonds (distance) C4'-P energy: -101.499 bonds (distance) P-C4' energy: -99.893 flat angles C4'-P-C4' energy: -113.264 flat angles P-C4'-P energy: -85.325 tors. eta vs tors. theta energy: -115.521 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: 8 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1308.773263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.773263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.773263 (E_RNA) where: Base-Base interactions energy: -818.574 where: short stacking energy: -385.490 Base-Backbone interact. energy: -2.422 local terms energy: -487.777414 where: bonds (distance) C4'-P energy: -104.101 bonds (distance) P-C4' energy: -103.011 flat angles C4'-P-C4' energy: -124.435 flat angles P-C4'-P energy: -69.165 tors. eta vs tors. theta energy: -87.066 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: 8, replica: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1074.732872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.732872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.732872 (E_RNA) where: Base-Base interactions energy: -668.046 where: short stacking energy: -307.159 Base-Backbone interact. energy: 1.249 local terms energy: -407.934959 where: bonds (distance) C4'-P energy: -106.712 bonds (distance) P-C4' energy: -105.686 flat angles C4'-P-C4' energy: -85.484 flat angles P-C4'-P energy: -67.849 tors. eta vs tors. theta energy: -42.203 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: 3 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -826.123923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.123923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.123923 (E_RNA) where: Base-Base interactions energy: -434.852 where: short stacking energy: -243.248 Base-Backbone interact. energy: 4.742 local terms energy: -396.013400 where: bonds (distance) C4'-P energy: -112.106 bonds (distance) P-C4' energy: -105.468 flat angles C4'-P-C4' energy: -108.802 flat angles P-C4'-P energy: -50.524 tors. eta vs tors. theta energy: -19.113 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: 10, replica: 5 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -772.727564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.727564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.727564 (E_RNA) where: Base-Base interactions energy: -427.396 where: short stacking energy: -205.515 Base-Backbone interact. energy: 7.787 local terms energy: -353.118346 where: bonds (distance) C4'-P energy: -94.289 bonds (distance) P-C4' energy: -102.649 flat angles C4'-P-C4' energy: -86.460 flat angles P-C4'-P energy: -59.957 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: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2207.040299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.040299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.040299 (E_RNA) where: Base-Base interactions energy: -1531.840 where: short stacking energy: -615.891 Base-Backbone interact. energy: -3.790 local terms energy: -671.410894 where: bonds (distance) C4'-P energy: -126.529 bonds (distance) P-C4' energy: -122.201 flat angles C4'-P-C4' energy: -149.442 flat angles P-C4'-P energy: -92.065 tors. eta vs tors. theta energy: -181.174 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: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2072.159347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.159347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.159347 (E_RNA) where: Base-Base interactions energy: -1410.735 where: short stacking energy: -610.974 Base-Backbone interact. energy: -0.653 local terms energy: -660.770661 where: bonds (distance) C4'-P energy: -107.281 bonds (distance) P-C4' energy: -140.496 flat angles C4'-P-C4' energy: -141.537 flat angles P-C4'-P energy: -93.032 tors. eta vs tors. theta energy: -178.425 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: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1984.335958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.335958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.335958 (E_RNA) where: Base-Base interactions energy: -1334.149 where: short stacking energy: -578.744 Base-Backbone interact. energy: -2.708 local terms energy: -647.478470 where: bonds (distance) C4'-P energy: -135.629 bonds (distance) P-C4' energy: -114.021 flat angles C4'-P-C4' energy: -139.854 flat angles P-C4'-P energy: -82.838 tors. eta vs tors. theta energy: -175.136 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: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1835.796372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.796372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.796372 (E_RNA) where: Base-Base interactions energy: -1232.439 where: short stacking energy: -528.992 Base-Backbone interact. energy: -1.442 local terms energy: -601.916264 where: bonds (distance) C4'-P energy: -116.749 bonds (distance) P-C4' energy: -115.160 flat angles C4'-P-C4' energy: -129.279 flat angles P-C4'-P energy: -91.591 tors. eta vs tors. theta energy: -149.137 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: 5, replica: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1726.017849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.017849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.017849 (E_RNA) where: Base-Base interactions energy: -1182.165 where: short stacking energy: -473.741 Base-Backbone interact. energy: -3.151 local terms energy: -540.701910 where: bonds (distance) C4'-P energy: -107.041 bonds (distance) P-C4' energy: -115.092 flat angles C4'-P-C4' energy: -114.483 flat angles P-C4'-P energy: -83.610 tors. eta vs tors. theta energy: -120.475 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: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1600.156771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.156771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.156771 (E_RNA) where: Base-Base interactions energy: -1069.719 where: short stacking energy: -448.912 Base-Backbone interact. energy: -0.127 local terms energy: -530.310033 where: bonds (distance) C4'-P energy: -102.467 bonds (distance) P-C4' energy: -117.150 flat angles C4'-P-C4' energy: -121.326 flat angles P-C4'-P energy: -78.398 tors. eta vs tors. theta energy: -110.969 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: 7, replica: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1317.913289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.913289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.913289 (E_RNA) where: Base-Base interactions energy: -829.412 where: short stacking energy: -368.569 Base-Backbone interact. energy: -1.751 local terms energy: -486.749535 where: bonds (distance) C4'-P energy: -103.924 bonds (distance) P-C4' energy: -110.218 flat angles C4'-P-C4' energy: -105.186 flat angles P-C4'-P energy: -74.222 tors. eta vs tors. theta energy: -93.199 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: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1138.996262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.996262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.996262 (E_RNA) where: Base-Base interactions energy: -715.918 where: short stacking energy: -319.276 Base-Backbone interact. energy: -1.760 local terms energy: -421.319060 where: bonds (distance) C4'-P energy: -98.241 bonds (distance) P-C4' energy: -109.169 flat angles C4'-P-C4' energy: -94.722 flat angles P-C4'-P energy: -59.315 tors. eta vs tors. theta energy: -59.872 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: 9, replica: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -843.120859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.120859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.120859 (E_RNA) where: Base-Base interactions energy: -486.457 where: short stacking energy: -238.834 Base-Backbone interact. energy: -0.562 local terms energy: -356.101371 where: bonds (distance) C4'-P energy: -72.708 bonds (distance) P-C4' energy: -118.615 flat angles C4'-P-C4' energy: -91.150 flat angles P-C4'-P energy: -55.338 tors. eta vs tors. theta energy: -18.290 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: 10, replica: 5 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -739.798657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.798657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.798657 (E_RNA) where: Base-Base interactions energy: -422.743 where: short stacking energy: -224.933 Base-Backbone interact. energy: -2.837 local terms energy: -314.218615 where: bonds (distance) C4'-P energy: -91.500 bonds (distance) P-C4' energy: -94.239 flat angles C4'-P-C4' energy: -98.294 flat angles P-C4'-P energy: -35.865 tors. eta vs tors. theta energy: 5.681 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: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2223.791274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.791274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.791274 (E_RNA) where: Base-Base interactions energy: -1565.562 where: short stacking energy: -638.152 Base-Backbone interact. energy: -2.219 local terms energy: -656.010918 where: bonds (distance) C4'-P energy: -118.363 bonds (distance) P-C4' energy: -110.398 flat angles C4'-P-C4' energy: -150.626 flat angles P-C4'-P energy: -88.363 tors. eta vs tors. theta energy: -188.261 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: 2, replica: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2105.182026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.182026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.182026 (E_RNA) where: Base-Base interactions energy: -1450.756 where: short stacking energy: -612.362 Base-Backbone interact. energy: -3.798 local terms energy: -650.628428 where: bonds (distance) C4'-P energy: -124.464 bonds (distance) P-C4' energy: -113.425 flat angles C4'-P-C4' energy: -143.026 flat angles P-C4'-P energy: -86.241 tors. eta vs tors. theta energy: -183.472 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: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1959.518092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.518092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.518092 (E_RNA) where: Base-Base interactions energy: -1318.739 where: short stacking energy: -585.809 Base-Backbone interact. energy: -0.444 local terms energy: -640.335495 where: bonds (distance) C4'-P energy: -112.976 bonds (distance) P-C4' energy: -116.860 flat angles C4'-P-C4' energy: -141.226 flat angles P-C4'-P energy: -97.165 tors. eta vs tors. theta energy: -172.109 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: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1877.451915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.451915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.451915 (E_RNA) where: Base-Base interactions energy: -1282.648 where: short stacking energy: -571.415 Base-Backbone interact. energy: 0.400 local terms energy: -595.203777 where: bonds (distance) C4'-P energy: -98.565 bonds (distance) P-C4' energy: -117.601 flat angles C4'-P-C4' energy: -133.889 flat angles P-C4'-P energy: -70.483 tors. eta vs tors. theta energy: -174.666 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: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1783.382633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.382633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.382633 (E_RNA) where: Base-Base interactions energy: -1206.718 where: short stacking energy: -536.477 Base-Backbone interact. energy: 1.640 local terms energy: -578.304056 where: bonds (distance) C4'-P energy: -118.264 bonds (distance) P-C4' energy: -117.453 flat angles C4'-P-C4' energy: -119.097 flat angles P-C4'-P energy: -78.670 tors. eta vs tors. theta energy: -144.820 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: 6, replica: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1575.448587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.448587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.448587 (E_RNA) where: Base-Base interactions energy: -1045.110 where: short stacking energy: -456.364 Base-Backbone interact. energy: -1.252 local terms energy: -529.087016 where: bonds (distance) C4'-P energy: -108.754 bonds (distance) P-C4' energy: -110.875 flat angles C4'-P-C4' energy: -123.886 flat angles P-C4'-P energy: -74.833 tors. eta vs tors. theta energy: -110.739 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: 7, replica: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1327.326340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.326340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.326340 (E_RNA) where: Base-Base interactions energy: -826.721 where: short stacking energy: -386.520 Base-Backbone interact. energy: -0.849 local terms energy: -499.756261 where: bonds (distance) C4'-P energy: -107.888 bonds (distance) P-C4' energy: -108.837 flat angles C4'-P-C4' energy: -112.280 flat angles P-C4'-P energy: -75.145 tors. eta vs tors. theta energy: -95.607 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: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1131.065637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.065637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.065637 (E_RNA) where: Base-Base interactions energy: -698.878 where: short stacking energy: -324.320 Base-Backbone interact. energy: -2.473 local terms energy: -429.714159 where: bonds (distance) C4'-P energy: -101.821 bonds (distance) P-C4' energy: -100.938 flat angles C4'-P-C4' energy: -101.265 flat angles P-C4'-P energy: -64.997 tors. eta vs tors. theta energy: -60.693 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: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -786.880994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.880994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.880994 (E_RNA) where: Base-Base interactions energy: -392.450 where: short stacking energy: -195.502 Base-Backbone interact. energy: 4.625 local terms energy: -399.056400 where: bonds (distance) C4'-P energy: -124.486 bonds (distance) P-C4' energy: -103.298 flat angles C4'-P-C4' energy: -112.385 flat angles P-C4'-P energy: -57.989 tors. eta vs tors. theta energy: -0.899 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: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -829.257665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.257665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.257665 (E_RNA) where: Base-Base interactions energy: -478.981 where: short stacking energy: -214.376 Base-Backbone interact. energy: -1.481 local terms energy: -348.795494 where: bonds (distance) C4'-P energy: -102.887 bonds (distance) P-C4' energy: -98.861 flat angles C4'-P-C4' energy: -89.270 flat angles P-C4'-P energy: -60.579 tors. eta vs tors. theta energy: 2.802 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: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2243.394370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.394370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.394370 (E_RNA) where: Base-Base interactions energy: -1567.031 where: short stacking energy: -635.046 Base-Backbone interact. energy: -1.637 local terms energy: -674.726435 where: bonds (distance) C4'-P energy: -129.624 bonds (distance) P-C4' energy: -123.844 flat angles C4'-P-C4' energy: -138.742 flat angles P-C4'-P energy: -104.585 tors. eta vs tors. theta energy: -177.932 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: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2077.032748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.032748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.032748 (E_RNA) where: Base-Base interactions energy: -1412.363 where: short stacking energy: -600.074 Base-Backbone interact. energy: -3.357 local terms energy: -661.312371 where: bonds (distance) C4'-P energy: -115.211 bonds (distance) P-C4' energy: -130.791 flat angles C4'-P-C4' energy: -142.778 flat angles P-C4'-P energy: -92.364 tors. eta vs tors. theta energy: -180.167 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: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1926.300730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.300730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.300730 (E_RNA) where: Base-Base interactions energy: -1311.074 where: short stacking energy: -583.601 Base-Backbone interact. energy: 3.967 local terms energy: -619.194162 where: bonds (distance) C4'-P energy: -118.385 bonds (distance) P-C4' energy: -112.425 flat angles C4'-P-C4' energy: -126.734 flat angles P-C4'-P energy: -99.617 tors. eta vs tors. theta energy: -162.033 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: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1869.056980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.056980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.056980 (E_RNA) where: Base-Base interactions energy: -1247.320 where: short stacking energy: -543.463 Base-Backbone interact. energy: -4.636 local terms energy: -617.101153 where: bonds (distance) C4'-P energy: -117.231 bonds (distance) P-C4' energy: -116.427 flat angles C4'-P-C4' energy: -135.888 flat angles P-C4'-P energy: -94.788 tors. eta vs tors. theta energy: -152.768 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: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1713.041263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.041263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.041263 (E_RNA) where: Base-Base interactions energy: -1147.483 where: short stacking energy: -459.949 Base-Backbone interact. energy: -2.199 local terms energy: -563.359703 where: bonds (distance) C4'-P energy: -122.495 bonds (distance) P-C4' energy: -119.954 flat angles C4'-P-C4' energy: -127.012 flat angles P-C4'-P energy: -65.175 tors. eta vs tors. theta energy: -128.724 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: 6, replica: 6 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1539.259597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.259597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.259597 (E_RNA) where: Base-Base interactions energy: -1053.789 where: short stacking energy: -449.483 Base-Backbone interact. energy: -0.820 local terms energy: -484.650634 where: bonds (distance) C4'-P energy: -105.122 bonds (distance) P-C4' energy: -95.336 flat angles C4'-P-C4' energy: -106.473 flat angles P-C4'-P energy: -74.711 tors. eta vs tors. theta energy: -103.008 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: 8 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1313.137429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.137429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.137429 (E_RNA) where: Base-Base interactions energy: -844.644 where: short stacking energy: -376.445 Base-Backbone interact. energy: -1.755 local terms energy: -466.738640 where: bonds (distance) C4'-P energy: -102.092 bonds (distance) P-C4' energy: -120.040 flat angles C4'-P-C4' energy: -92.448 flat angles P-C4'-P energy: -72.542 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: 8, replica: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1097.661513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.661513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.661513 (E_RNA) where: Base-Base interactions energy: -687.642 where: short stacking energy: -326.450 Base-Backbone interact. energy: 2.969 local terms energy: -412.988196 where: bonds (distance) C4'-P energy: -101.786 bonds (distance) P-C4' energy: -90.915 flat angles C4'-P-C4' energy: -101.992 flat angles P-C4'-P energy: -66.371 tors. eta vs tors. theta energy: -51.924 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: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -813.038695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.038695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.038695 (E_RNA) where: Base-Base interactions energy: -432.452 where: short stacking energy: -237.962 Base-Backbone interact. energy: -0.762 local terms energy: -379.825094 where: bonds (distance) C4'-P energy: -84.011 bonds (distance) P-C4' energy: -112.525 flat angles C4'-P-C4' energy: -90.432 flat angles P-C4'-P energy: -50.009 tors. eta vs tors. theta energy: -42.849 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: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -818.508624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.508624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.508624 (E_RNA) where: Base-Base interactions energy: -429.973 where: short stacking energy: -232.570 Base-Backbone interact. energy: -1.402 local terms energy: -387.133060 where: bonds (distance) C4'-P energy: -88.283 bonds (distance) P-C4' energy: -112.495 flat angles C4'-P-C4' energy: -109.751 flat angles P-C4'-P energy: -64.779 tors. eta vs tors. theta energy: -11.824 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: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2206.007587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.007587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.007587 (E_RNA) where: Base-Base interactions energy: -1543.703 where: short stacking energy: -633.082 Base-Backbone interact. energy: -2.276 local terms energy: -660.028895 where: bonds (distance) C4'-P energy: -122.115 bonds (distance) P-C4' energy: -135.822 flat angles C4'-P-C4' energy: -126.728 flat angles P-C4'-P energy: -93.398 tors. eta vs tors. theta energy: -181.966 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: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2061.646144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.646144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.646144 (E_RNA) where: Base-Base interactions energy: -1412.207 where: short stacking energy: -609.984 Base-Backbone interact. energy: -3.236 local terms energy: -646.203711 where: bonds (distance) C4'-P energy: -115.135 bonds (distance) P-C4' energy: -124.130 flat angles C4'-P-C4' energy: -147.617 flat angles P-C4'-P energy: -98.308 tors. eta vs tors. theta energy: -161.013 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: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1991.396555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.396555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.396555 (E_RNA) where: Base-Base interactions energy: -1365.640 where: short stacking energy: -602.231 Base-Backbone interact. energy: 0.921 local terms energy: -626.677232 where: bonds (distance) C4'-P energy: -109.505 bonds (distance) P-C4' energy: -106.380 flat angles C4'-P-C4' energy: -138.239 flat angles P-C4'-P energy: -85.913 tors. eta vs tors. theta energy: -186.641 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: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1915.369657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.369657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.369657 (E_RNA) where: Base-Base interactions energy: -1299.631 where: short stacking energy: -584.418 Base-Backbone interact. energy: -0.366 local terms energy: -615.372600 where: bonds (distance) C4'-P energy: -111.212 bonds (distance) P-C4' energy: -117.189 flat angles C4'-P-C4' energy: -133.418 flat angles P-C4'-P energy: -84.810 tors. eta vs tors. theta energy: -168.743 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: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1764.065353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.065353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.065353 (E_RNA) where: Base-Base interactions energy: -1188.186 where: short stacking energy: -512.942 Base-Backbone interact. energy: -2.970 local terms energy: -572.909361 where: bonds (distance) C4'-P energy: -112.564 bonds (distance) P-C4' energy: -130.810 flat angles C4'-P-C4' energy: -121.985 flat angles P-C4'-P energy: -72.506 tors. eta vs tors. theta energy: -135.044 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: 6, replica: 6 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1611.433535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.433535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.433535 (E_RNA) where: Base-Base interactions energy: -1079.768 where: short stacking energy: -469.976 Base-Backbone interact. energy: -5.560 local terms energy: -526.105449 where: bonds (distance) C4'-P energy: -100.488 bonds (distance) P-C4' energy: -103.215 flat angles C4'-P-C4' energy: -122.458 flat angles P-C4'-P energy: -86.417 tors. eta vs tors. theta energy: -113.527 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: 7, replica: 8 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1320.498679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.498679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.498679 (E_RNA) where: Base-Base interactions energy: -843.463 where: short stacking energy: -400.989 Base-Backbone interact. energy: -4.432 local terms energy: -472.603102 where: bonds (distance) C4'-P energy: -105.971 bonds (distance) P-C4' energy: -108.956 flat angles C4'-P-C4' energy: -106.503 flat angles P-C4'-P energy: -59.451 tors. eta vs tors. theta energy: -91.723 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: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1115.717898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.717898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.717898 (E_RNA) where: Base-Base interactions energy: -685.211 where: short stacking energy: -320.272 Base-Backbone interact. energy: -3.943 local terms energy: -426.563875 where: bonds (distance) C4'-P energy: -89.948 bonds (distance) P-C4' energy: -122.730 flat angles C4'-P-C4' energy: -96.725 flat angles P-C4'-P energy: -65.094 tors. eta vs tors. theta energy: -52.066 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: 9, replica: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -912.349128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.349128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.349128 (E_RNA) where: Base-Base interactions energy: -517.004 where: short stacking energy: -255.973 Base-Backbone interact. energy: 6.523 local terms energy: -401.867818 where: bonds (distance) C4'-P energy: -107.849 bonds (distance) P-C4' energy: -110.678 flat angles C4'-P-C4' energy: -103.140 flat angles P-C4'-P energy: -54.458 tors. eta vs tors. theta energy: -25.743 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: 10, replica: 5 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -711.356143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.356143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.356143 (E_RNA) where: Base-Base interactions energy: -365.958 where: short stacking energy: -172.221 Base-Backbone interact. energy: 0.935 local terms energy: -346.333646 where: bonds (distance) C4'-P energy: -78.436 bonds (distance) P-C4' energy: -104.133 flat angles C4'-P-C4' energy: -87.336 flat angles P-C4'-P energy: -71.484 tors. eta vs tors. theta energy: -4.944 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: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2219.911256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.911256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.911256 (E_RNA) where: Base-Base interactions energy: -1534.178 where: short stacking energy: -629.439 Base-Backbone interact. energy: -3.645 local terms energy: -682.088228 where: bonds (distance) C4'-P energy: -124.515 bonds (distance) P-C4' energy: -132.941 flat angles C4'-P-C4' energy: -147.870 flat angles P-C4'-P energy: -93.672 tors. eta vs tors. theta energy: -183.091 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: 2, replica: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2089.778023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.778023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.778023 (E_RNA) where: Base-Base interactions energy: -1454.253 where: short stacking energy: -618.084 Base-Backbone interact. energy: -2.190 local terms energy: -633.335283 where: bonds (distance) C4'-P energy: -124.816 bonds (distance) P-C4' energy: -115.284 flat angles C4'-P-C4' energy: -134.882 flat angles P-C4'-P energy: -83.367 tors. eta vs tors. theta energy: -174.987 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: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1990.145952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.145952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.145952 (E_RNA) where: Base-Base interactions energy: -1342.989 where: short stacking energy: -579.129 Base-Backbone interact. energy: -1.523 local terms energy: -645.634087 where: bonds (distance) C4'-P energy: -122.859 bonds (distance) P-C4' energy: -120.046 flat angles C4'-P-C4' energy: -138.588 flat angles P-C4'-P energy: -90.655 tors. eta vs tors. theta energy: -173.486 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: 4, replica: 9 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1887.817591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.817591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.817591 (E_RNA) where: Base-Base interactions energy: -1275.934 where: short stacking energy: -548.107 Base-Backbone interact. energy: -3.879 local terms energy: -608.004624 where: bonds (distance) C4'-P energy: -103.665 bonds (distance) P-C4' energy: -115.336 flat angles C4'-P-C4' energy: -125.729 flat angles P-C4'-P energy: -99.339 tors. eta vs tors. theta energy: -163.936 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: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1713.497676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.497676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.497676 (E_RNA) where: Base-Base interactions energy: -1151.610 where: short stacking energy: -488.247 Base-Backbone interact. energy: -3.842 local terms energy: -558.045843 where: bonds (distance) C4'-P energy: -98.768 bonds (distance) P-C4' energy: -116.400 flat angles C4'-P-C4' energy: -120.830 flat angles P-C4'-P energy: -87.263 tors. eta vs tors. theta energy: -134.784 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: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1666.929149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.929149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.929149 (E_RNA) where: Base-Base interactions energy: -1123.855 where: short stacking energy: -494.884 Base-Backbone interact. energy: -2.317 local terms energy: -540.756466 where: bonds (distance) C4'-P energy: -110.689 bonds (distance) P-C4' energy: -98.761 flat angles C4'-P-C4' energy: -117.092 flat angles P-C4'-P energy: -77.766 tors. eta vs tors. theta energy: -136.448 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: 7, replica: 8 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1336.111029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.111029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.111029 (E_RNA) where: Base-Base interactions energy: -852.498 where: short stacking energy: -391.919 Base-Backbone interact. energy: -1.260 local terms energy: -482.352576 where: bonds (distance) C4'-P energy: -118.497 bonds (distance) P-C4' energy: -103.375 flat angles C4'-P-C4' energy: -106.127 flat angles P-C4'-P energy: -69.460 tors. eta vs tors. theta energy: -84.894 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: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1133.471321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.471321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.471321 (E_RNA) where: Base-Base interactions energy: -694.286 where: short stacking energy: -338.134 Base-Backbone interact. energy: 1.627 local terms energy: -440.811953 where: bonds (distance) C4'-P energy: -91.450 bonds (distance) P-C4' energy: -84.606 flat angles C4'-P-C4' energy: -115.456 flat angles P-C4'-P energy: -75.871 tors. eta vs tors. theta energy: -73.430 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: 9, replica: 3 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -842.173117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.173117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.173117 (E_RNA) where: Base-Base interactions energy: -459.502 where: short stacking energy: -257.249 Base-Backbone interact. energy: -2.874 local terms energy: -379.797031 where: bonds (distance) C4'-P energy: -100.349 bonds (distance) P-C4' energy: -101.799 flat angles C4'-P-C4' energy: -98.240 flat angles P-C4'-P energy: -57.219 tors. eta vs tors. theta energy: -22.191 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: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -758.397954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.397954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.397954 (E_RNA) where: Base-Base interactions energy: -416.272 where: short stacking energy: -231.505 Base-Backbone interact. energy: -0.837 local terms energy: -341.288930 where: bonds (distance) C4'-P energy: -108.928 bonds (distance) P-C4' energy: -88.293 flat angles C4'-P-C4' energy: -82.827 flat angles P-C4'-P energy: -50.123 tors. eta vs tors. theta energy: -11.118 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: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2233.384510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.384510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.384510 (E_RNA) where: Base-Base interactions energy: -1562.737 where: short stacking energy: -634.949 Base-Backbone interact. energy: -3.346 local terms energy: -667.301056 where: bonds (distance) C4'-P energy: -131.634 bonds (distance) P-C4' energy: -115.185 flat angles C4'-P-C4' energy: -145.305 flat angles P-C4'-P energy: -95.647 tors. eta vs tors. theta energy: -179.530 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: 202 Temperature: 0.950000 Total energy: -2070.503362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.503362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.503362 (E_RNA) where: Base-Base interactions energy: -1400.543 where: short stacking energy: -576.911 Base-Backbone interact. energy: 0.119 local terms energy: -670.080033 where: bonds (distance) C4'-P energy: -125.721 bonds (distance) P-C4' energy: -124.318 flat angles C4'-P-C4' energy: -146.145 flat angles P-C4'-P energy: -105.296 tors. eta vs tors. theta energy: -168.601 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: 3, replica: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1968.552855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.552855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.552855 (E_RNA) where: Base-Base interactions energy: -1319.015 where: short stacking energy: -610.912 Base-Backbone interact. energy: -4.654 local terms energy: -644.883706 where: bonds (distance) C4'-P energy: -120.913 bonds (distance) P-C4' energy: -121.492 flat angles C4'-P-C4' energy: -134.986 flat angles P-C4'-P energy: -92.385 tors. eta vs tors. theta energy: -175.108 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: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1846.679242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.679242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.679242 (E_RNA) where: Base-Base interactions energy: -1251.217 where: short stacking energy: -550.758 Base-Backbone interact. energy: -0.124 local terms energy: -595.338024 where: bonds (distance) C4'-P energy: -121.117 bonds (distance) P-C4' energy: -118.996 flat angles C4'-P-C4' energy: -122.358 flat angles P-C4'-P energy: -87.946 tors. eta vs tors. theta energy: -144.921 Dist. restrs. and SS energy: 0.000 (S_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: 202 Temperature: 1.100000 Total energy: -1756.076507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.076507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.076507 (E_RNA) where: Base-Base interactions energy: -1223.262 where: short stacking energy: -507.285 Base-Backbone interact. energy: -0.147 local terms energy: -532.667855 where: bonds (distance) C4'-P energy: -103.758 bonds (distance) P-C4' energy: -109.900 flat angles C4'-P-C4' energy: -128.754 flat angles P-C4'-P energy: -66.861 tors. eta vs tors. theta energy: -123.396 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: 4 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1586.944196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.944196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.944196 (E_RNA) where: Base-Base interactions energy: -1049.761 where: short stacking energy: -424.911 Base-Backbone interact. energy: -1.108 local terms energy: -536.074854 where: bonds (distance) C4'-P energy: -118.693 bonds (distance) P-C4' energy: -121.158 flat angles C4'-P-C4' energy: -123.776 flat angles P-C4'-P energy: -71.069 tors. eta vs tors. theta energy: -101.380 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: 7, replica: 8 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1330.462979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.462979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.462979 (E_RNA) where: Base-Base interactions energy: -843.876 where: short stacking energy: -397.814 Base-Backbone interact. energy: -2.489 local terms energy: -484.098192 where: bonds (distance) C4'-P energy: -91.768 bonds (distance) P-C4' energy: -122.737 flat angles C4'-P-C4' energy: -109.735 flat angles P-C4'-P energy: -75.838 tors. eta vs tors. theta energy: -84.020 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: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1092.850643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.850643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.850643 (E_RNA) where: Base-Base interactions energy: -672.690 where: short stacking energy: -315.013 Base-Backbone interact. energy: -0.148 local terms energy: -420.012807 where: bonds (distance) C4'-P energy: -72.740 bonds (distance) P-C4' energy: -125.559 flat angles C4'-P-C4' energy: -109.423 flat angles P-C4'-P energy: -67.647 tors. eta vs tors. theta energy: -44.643 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: 3 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -876.382200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.382200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.382200 (E_RNA) where: Base-Base interactions energy: -482.029 where: short stacking energy: -257.627 Base-Backbone interact. energy: -0.385 local terms energy: -393.967940 where: bonds (distance) C4'-P energy: -119.943 bonds (distance) P-C4' energy: -89.487 flat angles C4'-P-C4' energy: -110.275 flat angles P-C4'-P energy: -46.715 tors. eta vs tors. theta energy: -27.548 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: 10, replica: 5 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -753.469315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.469315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.469315 (E_RNA) where: Base-Base interactions energy: -416.141 where: short stacking energy: -215.168 Base-Backbone interact. energy: 3.761 local terms energy: -341.089593 where: bonds (distance) C4'-P energy: -102.172 bonds (distance) P-C4' energy: -90.437 flat angles C4'-P-C4' energy: -99.765 flat angles P-C4'-P energy: -41.883 tors. eta vs tors. theta energy: -6.832 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: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2216.547143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.547143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.547143 (E_RNA) where: Base-Base interactions energy: -1543.882 where: short stacking energy: -624.532 Base-Backbone interact. energy: -3.364 local terms energy: -669.301391 where: bonds (distance) C4'-P energy: -134.757 bonds (distance) P-C4' energy: -114.992 flat angles C4'-P-C4' energy: -145.929 flat angles P-C4'-P energy: -96.055 tors. eta vs tors. theta energy: -177.567 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: 2, replica: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2068.328052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.328052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.328052 (E_RNA) where: Base-Base interactions energy: -1435.853 where: short stacking energy: -575.767 Base-Backbone interact. energy: -1.875 local terms energy: -630.599901 where: bonds (distance) C4'-P energy: -115.291 bonds (distance) P-C4' energy: -120.013 flat angles C4'-P-C4' energy: -132.973 flat angles P-C4'-P energy: -93.629 tors. eta vs tors. theta energy: -168.693 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: 3, replica: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2012.593434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.593434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.593434 (E_RNA) where: Base-Base interactions energy: -1384.402 where: short stacking energy: -623.513 Base-Backbone interact. energy: -6.571 local terms energy: -621.620262 where: bonds (distance) C4'-P energy: -108.159 bonds (distance) P-C4' energy: -124.437 flat angles C4'-P-C4' energy: -132.305 flat angles P-C4'-P energy: -78.164 tors. eta vs tors. theta energy: -178.556 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: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1857.376444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.376444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.376444 (E_RNA) where: Base-Base interactions energy: -1230.231 where: short stacking energy: -530.438 Base-Backbone interact. energy: -4.320 local terms energy: -622.825318 where: bonds (distance) C4'-P energy: -126.323 bonds (distance) P-C4' energy: -128.547 flat angles C4'-P-C4' energy: -133.043 flat angles P-C4'-P energy: -81.084 tors. eta vs tors. theta energy: -153.828 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: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1749.883545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.883545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.883545 (E_RNA) where: Base-Base interactions energy: -1177.868 where: short stacking energy: -486.270 Base-Backbone interact. energy: -3.903 local terms energy: -568.112263 where: bonds (distance) C4'-P energy: -117.040 bonds (distance) P-C4' energy: -116.505 flat angles C4'-P-C4' energy: -123.208 flat angles P-C4'-P energy: -81.009 tors. eta vs tors. theta energy: -130.351 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: 6, replica: 4 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1562.594542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.594542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.594542 (E_RNA) where: Base-Base interactions energy: -1042.423 where: short stacking energy: -463.224 Base-Backbone interact. energy: -0.102 local terms energy: -520.069599 where: bonds (distance) C4'-P energy: -103.853 bonds (distance) P-C4' energy: -126.146 flat angles C4'-P-C4' energy: -125.364 flat angles P-C4'-P energy: -54.440 tors. eta vs tors. theta energy: -110.266 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: 7, replica: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1350.823226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.823226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.823226 (E_RNA) where: Base-Base interactions energy: -866.997 where: short stacking energy: -409.090 Base-Backbone interact. energy: 0.256 local terms energy: -484.082204 where: bonds (distance) C4'-P energy: -100.433 bonds (distance) P-C4' energy: -116.879 flat angles C4'-P-C4' energy: -92.377 flat angles P-C4'-P energy: -71.030 tors. eta vs tors. theta energy: -103.363 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: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1054.280223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.280223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.280223 (E_RNA) where: Base-Base interactions energy: -625.293 where: short stacking energy: -308.715 Base-Backbone interact. energy: 0.319 local terms energy: -429.306540 where: bonds (distance) C4'-P energy: -95.919 bonds (distance) P-C4' energy: -104.931 flat angles C4'-P-C4' energy: -99.900 flat angles P-C4'-P energy: -66.294 tors. eta vs tors. theta energy: -62.263 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: 3 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -878.329990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.329990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.329990 (E_RNA) where: Base-Base interactions energy: -508.442 where: short stacking energy: -234.239 Base-Backbone interact. energy: 1.327 local terms energy: -371.214645 where: bonds (distance) C4'-P energy: -92.483 bonds (distance) P-C4' energy: -111.206 flat angles C4'-P-C4' energy: -106.581 flat angles P-C4'-P energy: -46.466 tors. eta vs tors. theta energy: -14.479 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: 5 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -724.625064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.625064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.625064 (E_RNA) where: Base-Base interactions energy: -376.431 where: short stacking energy: -192.318 Base-Backbone interact. energy: 2.354 local terms energy: -350.547878 where: bonds (distance) C4'-P energy: -86.381 bonds (distance) P-C4' energy: -100.413 flat angles C4'-P-C4' energy: -90.865 flat angles P-C4'-P energy: -75.841 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: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2204.332884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.332884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.332884 (E_RNA) where: Base-Base interactions energy: -1561.563 where: short stacking energy: -621.109 Base-Backbone interact. energy: 0.316 local terms energy: -643.086567 where: bonds (distance) C4'-P energy: -106.639 bonds (distance) P-C4' energy: -123.783 flat angles C4'-P-C4' energy: -141.559 flat angles P-C4'-P energy: -92.249 tors. eta vs tors. theta energy: -178.857 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: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2107.509182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.509182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.509182 (E_RNA) where: Base-Base interactions energy: -1448.510 where: short stacking energy: -607.906 Base-Backbone interact. energy: -3.644 local terms energy: -655.355081 where: bonds (distance) C4'-P energy: -105.370 bonds (distance) P-C4' energy: -115.398 flat angles C4'-P-C4' energy: -141.938 flat angles P-C4'-P energy: -107.036 tors. eta vs tors. theta energy: -185.613 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: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2066.116645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.116645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.116645 (E_RNA) where: Base-Base interactions energy: -1406.813 where: short stacking energy: -618.231 Base-Backbone interact. energy: -3.069 local terms energy: -656.234499 where: bonds (distance) C4'-P energy: -96.709 bonds (distance) P-C4' energy: -118.578 flat angles C4'-P-C4' energy: -147.344 flat angles P-C4'-P energy: -97.111 tors. eta vs tors. theta energy: -196.492 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: 4, replica: 9 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1842.865927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.865927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.865927 (E_RNA) where: Base-Base interactions energy: -1256.719 where: short stacking energy: -544.483 Base-Backbone interact. energy: -1.507 local terms energy: -584.640016 where: bonds (distance) C4'-P energy: -93.394 bonds (distance) P-C4' energy: -117.832 flat angles C4'-P-C4' energy: -134.836 flat angles P-C4'-P energy: -84.810 tors. eta vs tors. theta energy: -153.767 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: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1710.799400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.799400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.799400 (E_RNA) where: Base-Base interactions energy: -1162.387 where: short stacking energy: -486.670 Base-Backbone interact. energy: -1.678 local terms energy: -546.734233 where: bonds (distance) C4'-P energy: -107.581 bonds (distance) P-C4' energy: -111.943 flat angles C4'-P-C4' energy: -112.204 flat angles P-C4'-P energy: -87.046 tors. eta vs tors. theta energy: -127.960 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: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1649.878629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.878629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.878629 (E_RNA) where: Base-Base interactions energy: -1147.771 where: short stacking energy: -485.177 Base-Backbone interact. energy: -0.278 local terms energy: -501.829285 where: bonds (distance) C4'-P energy: -95.230 bonds (distance) P-C4' energy: -99.940 flat angles C4'-P-C4' energy: -109.128 flat angles P-C4'-P energy: -79.326 tors. eta vs tors. theta energy: -118.206 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: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1310.568245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.568245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.568245 (E_RNA) where: Base-Base interactions energy: -816.493 where: short stacking energy: -359.932 Base-Backbone interact. energy: -2.993 local terms energy: -491.082027 where: bonds (distance) C4'-P energy: -100.905 bonds (distance) P-C4' energy: -122.913 flat angles C4'-P-C4' energy: -120.774 flat angles P-C4'-P energy: -70.591 tors. eta vs tors. theta energy: -75.899 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: 8, replica: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1058.679075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.679075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.679075 (E_RNA) where: Base-Base interactions energy: -604.371 where: short stacking energy: -307.281 Base-Backbone interact. energy: -2.147 local terms energy: -452.161735 where: bonds (distance) C4'-P energy: -108.643 bonds (distance) P-C4' energy: -118.704 flat angles C4'-P-C4' energy: -99.462 flat angles P-C4'-P energy: -59.044 tors. eta vs tors. theta energy: -66.309 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: 9, replica: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -850.659390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.659390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.659390 (E_RNA) where: Base-Base interactions energy: -494.321 where: short stacking energy: -224.907 Base-Backbone interact. energy: -1.280 local terms energy: -355.058201 where: bonds (distance) C4'-P energy: -100.625 bonds (distance) P-C4' energy: -93.469 flat angles C4'-P-C4' energy: -101.863 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: 2.013 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: 5 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -720.101385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.101385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.101385 (E_RNA) where: Base-Base interactions energy: -343.271 where: short stacking energy: -178.643 Base-Backbone interact. energy: -0.328 local terms energy: -376.501896 where: bonds (distance) C4'-P energy: -104.440 bonds (distance) P-C4' energy: -104.945 flat angles C4'-P-C4' energy: -96.645 flat angles P-C4'-P energy: -60.633 tors. eta vs tors. theta energy: -9.839 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: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2193.799177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.799177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.799177 (E_RNA) where: Base-Base interactions energy: -1547.983 where: short stacking energy: -617.444 Base-Backbone interact. energy: -2.424 local terms energy: -643.392376 where: bonds (distance) C4'-P energy: -105.983 bonds (distance) P-C4' energy: -131.269 flat angles C4'-P-C4' energy: -144.509 flat angles P-C4'-P energy: -90.811 tors. eta vs tors. theta energy: -170.820 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: 2, replica: 7 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2108.798627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.798627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.798627 (E_RNA) where: Base-Base interactions energy: -1434.992 where: short stacking energy: -628.708 Base-Backbone interact. energy: -1.324 local terms energy: -672.482040 where: bonds (distance) C4'-P energy: -130.411 bonds (distance) P-C4' energy: -119.996 flat angles C4'-P-C4' energy: -140.423 flat angles P-C4'-P energy: -89.037 tors. eta vs tors. theta energy: -192.615 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: 10 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2062.476930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.476930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.476930 (E_RNA) where: Base-Base interactions energy: -1417.980 where: short stacking energy: -596.862 Base-Backbone interact. energy: -3.133 local terms energy: -641.363746 where: bonds (distance) C4'-P energy: -123.567 bonds (distance) P-C4' energy: -121.953 flat angles C4'-P-C4' energy: -144.267 flat angles P-C4'-P energy: -76.627 tors. eta vs tors. theta energy: -174.949 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: 4, replica: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1874.122713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.122713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.122713 (E_RNA) where: Base-Base interactions energy: -1279.964 where: short stacking energy: -548.445 Base-Backbone interact. energy: -3.401 local terms energy: -590.757610 where: bonds (distance) C4'-P energy: -113.269 bonds (distance) P-C4' energy: -118.727 flat angles C4'-P-C4' energy: -127.624 flat angles P-C4'-P energy: -77.192 tors. eta vs tors. theta energy: -153.947 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: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1763.160741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.160741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.160741 (E_RNA) where: Base-Base interactions energy: -1197.067 where: short stacking energy: -547.633 Base-Backbone interact. energy: -2.891 local terms energy: -563.202346 where: bonds (distance) C4'-P energy: -118.762 bonds (distance) P-C4' energy: -111.045 flat angles C4'-P-C4' energy: -115.901 flat angles P-C4'-P energy: -75.020 tors. eta vs tors. theta energy: -142.474 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: 6, replica: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1631.328422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.328422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.328422 (E_RNA) where: Base-Base interactions energy: -1096.330 where: short stacking energy: -460.090 Base-Backbone interact. energy: -3.377 local terms energy: -531.620984 where: bonds (distance) C4'-P energy: -107.530 bonds (distance) P-C4' energy: -106.991 flat angles C4'-P-C4' energy: -107.325 flat angles P-C4'-P energy: -77.413 tors. eta vs tors. theta energy: -132.362 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: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1310.690935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.690935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.690935 (E_RNA) where: Base-Base interactions energy: -839.279 where: short stacking energy: -381.973 Base-Backbone interact. energy: 2.888 local terms energy: -474.299743 where: bonds (distance) C4'-P energy: -112.480 bonds (distance) P-C4' energy: -120.177 flat angles C4'-P-C4' energy: -99.990 flat angles P-C4'-P energy: -70.380 tors. eta vs tors. theta energy: -71.273 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: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1062.731881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.731881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.731881 (E_RNA) where: Base-Base interactions energy: -616.918 where: short stacking energy: -300.768 Base-Backbone interact. energy: 0.216 local terms energy: -446.030243 where: bonds (distance) C4'-P energy: -115.855 bonds (distance) P-C4' energy: -127.477 flat angles C4'-P-C4' energy: -96.379 flat angles P-C4'-P energy: -54.569 tors. eta vs tors. theta energy: -51.751 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: 3 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -831.782371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.782371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.782371 (E_RNA) where: Base-Base interactions energy: -446.406 where: short stacking energy: -226.569 Base-Backbone interact. energy: -1.070 local terms energy: -384.306359 where: bonds (distance) C4'-P energy: -94.403 bonds (distance) P-C4' energy: -108.103 flat angles C4'-P-C4' energy: -94.055 flat angles P-C4'-P energy: -69.465 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: 5 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -684.879366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.879366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.879366 (E_RNA) where: Base-Base interactions energy: -325.667 where: short stacking energy: -174.025 Base-Backbone interact. energy: -1.116 local terms energy: -358.096510 where: bonds (distance) C4'-P energy: -97.139 bonds (distance) P-C4' energy: -102.849 flat angles C4'-P-C4' energy: -104.196 flat angles P-C4'-P energy: -48.495 tors. eta vs tors. theta energy: -5.418 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: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2206.276254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.276254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.276254 (E_RNA) where: Base-Base interactions energy: -1548.704 where: short stacking energy: -630.019 Base-Backbone interact. energy: -2.220 local terms energy: -655.352353 where: bonds (distance) C4'-P energy: -115.793 bonds (distance) P-C4' energy: -121.774 flat angles C4'-P-C4' energy: -131.695 flat angles P-C4'-P energy: -98.622 tors. eta vs tors. theta energy: -187.468 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: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2067.240964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.240964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.240964 (E_RNA) where: Base-Base interactions energy: -1408.753 where: short stacking energy: -637.343 Base-Backbone interact. energy: -2.151 local terms energy: -656.336454 where: bonds (distance) C4'-P energy: -115.784 bonds (distance) P-C4' energy: -110.595 flat angles C4'-P-C4' energy: -149.424 flat angles P-C4'-P energy: -87.755 tors. eta vs tors. theta energy: -192.779 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: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2057.228332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.228332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.228332 (E_RNA) where: Base-Base interactions energy: -1425.312 where: short stacking energy: -593.311 Base-Backbone interact. energy: -4.120 local terms energy: -627.796229 where: bonds (distance) C4'-P energy: -122.041 bonds (distance) P-C4' energy: -112.433 flat angles C4'-P-C4' energy: -137.016 flat angles P-C4'-P energy: -80.123 tors. eta vs tors. theta energy: -176.183 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: 4, replica: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1896.317495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.317495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.317495 (E_RNA) where: Base-Base interactions energy: -1296.325 where: short stacking energy: -570.810 Base-Backbone interact. energy: -1.493 local terms energy: -598.499220 where: bonds (distance) C4'-P energy: -106.689 bonds (distance) P-C4' energy: -121.972 flat angles C4'-P-C4' energy: -124.127 flat angles P-C4'-P energy: -79.046 tors. eta vs tors. theta energy: -166.666 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: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1812.766071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.766071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.766071 (E_RNA) where: Base-Base interactions energy: -1241.430 where: short stacking energy: -507.221 Base-Backbone interact. energy: 3.005 local terms energy: -574.341919 where: bonds (distance) C4'-P energy: -103.385 bonds (distance) P-C4' energy: -117.871 flat angles C4'-P-C4' energy: -140.393 flat angles P-C4'-P energy: -81.156 tors. eta vs tors. theta energy: -131.536 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: 6, replica: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1603.375695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.375695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.375695 (E_RNA) where: Base-Base interactions energy: -1065.198 where: short stacking energy: -427.144 Base-Backbone interact. energy: -0.413 local terms energy: -537.764355 where: bonds (distance) C4'-P energy: -111.808 bonds (distance) P-C4' energy: -118.801 flat angles C4'-P-C4' energy: -120.469 flat angles P-C4'-P energy: -75.680 tors. eta vs tors. theta energy: -111.006 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: 7, replica: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1325.634341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.634341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.634341 (E_RNA) where: Base-Base interactions energy: -858.126 where: short stacking energy: -372.779 Base-Backbone interact. energy: 1.407 local terms energy: -468.914797 where: bonds (distance) C4'-P energy: -110.868 bonds (distance) P-C4' energy: -110.165 flat angles C4'-P-C4' energy: -114.830 flat angles P-C4'-P energy: -60.368 tors. eta vs tors. theta energy: -72.686 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: 2 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1037.786540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.786540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.786540 (E_RNA) where: Base-Base interactions energy: -639.375 where: short stacking energy: -293.813 Base-Backbone interact. energy: 4.644 local terms energy: -403.054990 where: bonds (distance) C4'-P energy: -102.034 bonds (distance) P-C4' energy: -110.591 flat angles C4'-P-C4' energy: -102.546 flat angles P-C4'-P energy: -47.327 tors. eta vs tors. theta energy: -40.557 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: 3 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -920.597030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.597030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.597030 (E_RNA) where: Base-Base interactions energy: -521.577 where: short stacking energy: -274.826 Base-Backbone interact. energy: -1.798 local terms energy: -397.221228 where: bonds (distance) C4'-P energy: -80.771 bonds (distance) P-C4' energy: -118.965 flat angles C4'-P-C4' energy: -88.358 flat angles P-C4'-P energy: -63.600 tors. eta vs tors. theta energy: -45.528 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: 10, replica: 5 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -693.789426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.789426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.789426 (E_RNA) where: Base-Base interactions energy: -336.742 where: short stacking energy: -196.203 Base-Backbone interact. energy: 2.145 local terms energy: -359.192269 where: bonds (distance) C4'-P energy: -93.549 bonds (distance) P-C4' energy: -104.267 flat angles C4'-P-C4' energy: -91.708 flat angles P-C4'-P energy: -53.316 tors. eta vs tors. theta energy: -16.353 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: 1, replica: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2210.120842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.120842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.120842 (E_RNA) where: Base-Base interactions energy: -1537.374 where: short stacking energy: -606.741 Base-Backbone interact. energy: -4.298 local terms energy: -668.449661 where: bonds (distance) C4'-P energy: -130.614 bonds (distance) P-C4' energy: -115.890 flat angles C4'-P-C4' energy: -142.512 flat angles P-C4'-P energy: -93.958 tors. eta vs tors. theta energy: -185.476 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: 2, replica: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2087.655891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.655891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.655891 (E_RNA) where: Base-Base interactions energy: -1400.855 where: short stacking energy: -634.038 Base-Backbone interact. energy: -2.503 local terms energy: -684.298040 where: bonds (distance) C4'-P energy: -120.651 bonds (distance) P-C4' energy: -134.815 flat angles C4'-P-C4' energy: -149.713 flat angles P-C4'-P energy: -98.416 tors. eta vs tors. theta energy: -180.703 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: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2000.875547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.875547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.875547 (E_RNA) where: Base-Base interactions energy: -1390.013 where: short stacking energy: -589.843 Base-Backbone interact. energy: 5.763 local terms energy: -616.625350 where: bonds (distance) C4'-P energy: -109.456 bonds (distance) P-C4' energy: -117.957 flat angles C4'-P-C4' energy: -136.728 flat angles P-C4'-P energy: -93.142 tors. eta vs tors. theta energy: -159.343 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: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1937.315730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.315730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.315730 (E_RNA) where: Base-Base interactions energy: -1326.783 where: short stacking energy: -576.119 Base-Backbone interact. energy: -0.871 local terms energy: -609.661275 where: bonds (distance) C4'-P energy: -114.370 bonds (distance) P-C4' energy: -115.041 flat angles C4'-P-C4' energy: -118.601 flat angles P-C4'-P energy: -89.877 tors. eta vs tors. theta energy: -171.773 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: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1769.093985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.093985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.093985 (E_RNA) where: Base-Base interactions energy: -1219.479 where: short stacking energy: -511.402 Base-Backbone interact. energy: -0.383 local terms energy: -549.232083 where: bonds (distance) C4'-P energy: -90.130 bonds (distance) P-C4' energy: -120.175 flat angles C4'-P-C4' energy: -122.430 flat angles P-C4'-P energy: -87.524 tors. eta vs tors. theta energy: -128.974 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: 6, replica: 4 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1628.213381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.213381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.213381 (E_RNA) where: Base-Base interactions energy: -1107.759 where: short stacking energy: -485.919 Base-Backbone interact. energy: -3.652 local terms energy: -516.802448 where: bonds (distance) C4'-P energy: -84.207 bonds (distance) P-C4' energy: -111.431 flat angles C4'-P-C4' energy: -123.376 flat angles P-C4'-P energy: -78.693 tors. eta vs tors. theta energy: -119.096 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: 7, replica: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1397.691481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.691481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.691481 (E_RNA) where: Base-Base interactions energy: -892.484 where: short stacking energy: -396.352 Base-Backbone interact. energy: -2.705 local terms energy: -502.502267 where: bonds (distance) C4'-P energy: -115.654 bonds (distance) P-C4' energy: -99.995 flat angles C4'-P-C4' energy: -122.490 flat angles P-C4'-P energy: -66.960 tors. eta vs tors. theta energy: -97.403 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: 8, replica: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1048.903887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.903887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.903887 (E_RNA) where: Base-Base interactions energy: -631.374 where: short stacking energy: -308.691 Base-Backbone interact. energy: -1.900 local terms energy: -415.629972 where: bonds (distance) C4'-P energy: -88.655 bonds (distance) P-C4' energy: -104.070 flat angles C4'-P-C4' energy: -110.940 flat angles P-C4'-P energy: -68.817 tors. eta vs tors. theta energy: -43.148 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: 3 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -896.925083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.925083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.925083 (E_RNA) where: Base-Base interactions energy: -486.805 where: short stacking energy: -250.487 Base-Backbone interact. energy: 3.911 local terms energy: -414.030316 where: bonds (distance) C4'-P energy: -112.913 bonds (distance) P-C4' energy: -101.097 flat angles C4'-P-C4' energy: -90.532 flat angles P-C4'-P energy: -65.997 tors. eta vs tors. theta energy: -43.491 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: 5 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -669.348406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.348406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.348406 (E_RNA) where: Base-Base interactions energy: -337.022 where: short stacking energy: -191.335 Base-Backbone interact. energy: 1.476 local terms energy: -333.802431 where: bonds (distance) C4'-P energy: -89.334 bonds (distance) P-C4' energy: -106.563 flat angles C4'-P-C4' energy: -90.634 flat angles P-C4'-P energy: -40.152 tors. eta vs tors. theta energy: -7.119 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: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2204.538390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.538390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.538390 (E_RNA) where: Base-Base interactions energy: -1547.013 where: short stacking energy: -628.085 Base-Backbone interact. energy: 0.400 local terms energy: -657.925639 where: bonds (distance) C4'-P energy: -108.033 bonds (distance) P-C4' energy: -126.423 flat angles C4'-P-C4' energy: -145.744 flat angles P-C4'-P energy: -93.154 tors. eta vs tors. theta energy: -184.572 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: 2, replica: 7 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2039.459319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.459319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.459319 (E_RNA) where: Base-Base interactions energy: -1375.868 where: short stacking energy: -598.892 Base-Backbone interact. energy: -1.425 local terms energy: -662.165826 where: bonds (distance) C4'-P energy: -126.882 bonds (distance) P-C4' energy: -135.992 flat angles C4'-P-C4' energy: -134.422 flat angles P-C4'-P energy: -92.782 tors. eta vs tors. theta energy: -172.088 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: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2025.272520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.272520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.272520 (E_RNA) where: Base-Base interactions energy: -1392.351 where: short stacking energy: -594.224 Base-Backbone interact. energy: 0.325 local terms energy: -633.246792 where: bonds (distance) C4'-P energy: -117.261 bonds (distance) P-C4' energy: -116.060 flat angles C4'-P-C4' energy: -141.217 flat angles P-C4'-P energy: -97.057 tors. eta vs tors. theta energy: -161.652 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: 4, replica: 9 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1923.317323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.317323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.317323 (E_RNA) where: Base-Base interactions energy: -1305.008 where: short stacking energy: -558.659 Base-Backbone interact. energy: -3.486 local terms energy: -614.823924 where: bonds (distance) C4'-P energy: -104.751 bonds (distance) P-C4' energy: -112.603 flat angles C4'-P-C4' energy: -138.552 flat angles P-C4'-P energy: -85.414 tors. eta vs tors. theta energy: -173.504 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: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1753.157474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.157474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.157474 (E_RNA) where: Base-Base interactions energy: -1202.971 where: short stacking energy: -494.629 Base-Backbone interact. energy: -3.156 local terms energy: -547.030075 where: bonds (distance) C4'-P energy: -108.536 bonds (distance) P-C4' energy: -95.089 flat angles C4'-P-C4' energy: -130.889 flat angles P-C4'-P energy: -84.270 tors. eta vs tors. theta energy: -128.245 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: 4 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1621.340460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.340460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.340460 (E_RNA) where: Base-Base interactions energy: -1087.268 where: short stacking energy: -457.565 Base-Backbone interact. energy: 0.991 local terms energy: -535.063353 where: bonds (distance) C4'-P energy: -106.071 bonds (distance) P-C4' energy: -105.136 flat angles C4'-P-C4' energy: -126.275 flat angles P-C4'-P energy: -84.805 tors. eta vs tors. theta energy: -112.777 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: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1355.035693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.035693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.035693 (E_RNA) where: Base-Base interactions energy: -876.112 where: short stacking energy: -417.473 Base-Backbone interact. energy: -2.731 local terms energy: -476.192012 where: bonds (distance) C4'-P energy: -113.722 bonds (distance) P-C4' energy: -83.163 flat angles C4'-P-C4' energy: -112.406 flat angles P-C4'-P energy: -66.460 tors. eta vs tors. theta energy: -100.440 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: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1149.029062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.029062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.029062 (E_RNA) where: Base-Base interactions energy: -703.451 where: short stacking energy: -351.566 Base-Backbone interact. energy: 1.889 local terms energy: -447.466296 where: bonds (distance) C4'-P energy: -98.201 bonds (distance) P-C4' energy: -104.474 flat angles C4'-P-C4' energy: -121.605 flat angles P-C4'-P energy: -55.564 tors. eta vs tors. theta energy: -67.623 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: 9, replica: 3 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -836.435229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.435229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.435229 (E_RNA) where: Base-Base interactions energy: -465.041 where: short stacking energy: -253.294 Base-Backbone interact. energy: 4.295 local terms energy: -375.689412 where: bonds (distance) C4'-P energy: -106.411 bonds (distance) P-C4' energy: -96.406 flat angles C4'-P-C4' energy: -92.820 flat angles P-C4'-P energy: -55.781 tors. eta vs tors. theta energy: -24.271 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: 10, replica: 5 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -699.106507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.106507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.106507 (E_RNA) where: Base-Base interactions energy: -353.589 where: short stacking energy: -187.764 Base-Backbone interact. energy: 0.317 local terms energy: -345.834378 where: bonds (distance) C4'-P energy: -92.593 bonds (distance) P-C4' energy: -106.579 flat angles C4'-P-C4' energy: -91.524 flat angles P-C4'-P energy: -47.974 tors. eta vs tors. theta energy: -7.164 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: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2199.384247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.384247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.384247 (E_RNA) where: Base-Base interactions energy: -1525.888 where: short stacking energy: -654.139 Base-Backbone interact. energy: -4.151 local terms energy: -669.345819 where: bonds (distance) C4'-P energy: -125.940 bonds (distance) P-C4' energy: -125.191 flat angles C4'-P-C4' energy: -143.592 flat angles P-C4'-P energy: -86.654 tors. eta vs tors. theta energy: -187.967 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: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2098.382099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.382099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.382099 (E_RNA) where: Base-Base interactions energy: -1417.256 where: short stacking energy: -618.170 Base-Backbone interact. energy: -2.816 local terms energy: -678.309485 where: bonds (distance) C4'-P energy: -126.909 bonds (distance) P-C4' energy: -126.485 flat angles C4'-P-C4' energy: -139.212 flat angles P-C4'-P energy: -102.274 tors. eta vs tors. theta energy: -183.431 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: 3, replica: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2032.376305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.376305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.376305 (E_RNA) where: Base-Base interactions energy: -1381.636 where: short stacking energy: -596.344 Base-Backbone interact. energy: 0.006 local terms energy: -650.745794 where: bonds (distance) C4'-P energy: -129.639 bonds (distance) P-C4' energy: -117.927 flat angles C4'-P-C4' energy: -134.523 flat angles P-C4'-P energy: -92.807 tors. eta vs tors. theta energy: -175.850 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: 4, replica: 9 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1914.717253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.717253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.717253 (E_RNA) where: Base-Base interactions energy: -1285.289 where: short stacking energy: -550.312 Base-Backbone interact. energy: 0.041 local terms energy: -629.469601 where: bonds (distance) C4'-P energy: -117.484 bonds (distance) P-C4' energy: -118.666 flat angles C4'-P-C4' energy: -140.926 flat angles P-C4'-P energy: -95.316 tors. eta vs tors. theta energy: -157.078 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: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1763.968289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.968289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.968289 (E_RNA) where: Base-Base interactions energy: -1210.112 where: short stacking energy: -515.723 Base-Backbone interact. energy: 4.307 local terms energy: -558.163136 where: bonds (distance) C4'-P energy: -97.537 bonds (distance) P-C4' energy: -121.249 flat angles C4'-P-C4' energy: -118.401 flat angles P-C4'-P energy: -79.307 tors. eta vs tors. theta energy: -141.669 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: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1498.945020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.945020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.945020 (E_RNA) where: Base-Base interactions energy: -1022.498 where: short stacking energy: -437.741 Base-Backbone interact. energy: 0.108 local terms energy: -476.555118 where: bonds (distance) C4'-P energy: -90.425 bonds (distance) P-C4' energy: -89.496 flat angles C4'-P-C4' energy: -118.848 flat angles P-C4'-P energy: -73.089 tors. eta vs tors. theta energy: -104.697 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: 7, replica: 8 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1374.427868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.427868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.427868 (E_RNA) where: Base-Base interactions energy: -892.070 where: short stacking energy: -421.100 Base-Backbone interact. energy: -0.895 local terms energy: -481.462997 where: bonds (distance) C4'-P energy: -92.122 bonds (distance) P-C4' energy: -102.355 flat angles C4'-P-C4' energy: -118.028 flat angles P-C4'-P energy: -65.331 tors. eta vs tors. theta energy: -103.628 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: 8, replica: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1126.636147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.636147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.636147 (E_RNA) where: Base-Base interactions energy: -659.408 where: short stacking energy: -307.134 Base-Backbone interact. energy: 1.040 local terms energy: -468.268189 where: bonds (distance) C4'-P energy: -101.773 bonds (distance) P-C4' energy: -116.232 flat angles C4'-P-C4' energy: -115.781 flat angles P-C4'-P energy: -62.571 tors. eta vs tors. theta energy: -71.910 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: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -848.567107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.567107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.567107 (E_RNA) where: Base-Base interactions energy: -474.944 where: short stacking energy: -253.975 Base-Backbone interact. energy: -1.251 local terms energy: -372.372109 where: bonds (distance) C4'-P energy: -93.199 bonds (distance) P-C4' energy: -99.342 flat angles C4'-P-C4' energy: -90.272 flat angles P-C4'-P energy: -59.709 tors. eta vs tors. theta energy: -29.850 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: 10, replica: 5 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -743.878444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.878444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.878444 (E_RNA) where: Base-Base interactions energy: -408.996 where: short stacking energy: -228.746 Base-Backbone interact. energy: -1.282 local terms energy: -333.601016 where: bonds (distance) C4'-P energy: -84.604 bonds (distance) P-C4' energy: -96.268 flat angles C4'-P-C4' energy: -90.487 flat angles P-C4'-P energy: -53.293 tors. eta vs tors. theta energy: -8.949 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: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2209.595256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.595256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.595256 (E_RNA) where: Base-Base interactions energy: -1542.833 where: short stacking energy: -633.493 Base-Backbone interact. energy: -4.999 local terms energy: -661.763319 where: bonds (distance) C4'-P energy: -116.742 bonds (distance) P-C4' energy: -128.217 flat angles C4'-P-C4' energy: -146.251 flat angles P-C4'-P energy: -96.620 tors. eta vs tors. theta energy: -173.933 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: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2086.699907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.699907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.699907 (E_RNA) where: Base-Base interactions energy: -1446.931 where: short stacking energy: -606.534 Base-Backbone interact. energy: -0.248 local terms energy: -639.520418 where: bonds (distance) C4'-P energy: -120.822 bonds (distance) P-C4' energy: -115.616 flat angles C4'-P-C4' energy: -147.256 flat angles P-C4'-P energy: -80.676 tors. eta vs tors. theta energy: -175.151 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: 3, replica: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2043.697637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.697637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.697637 (E_RNA) where: Base-Base interactions energy: -1384.604 where: short stacking energy: -590.631 Base-Backbone interact. energy: -1.700 local terms energy: -657.393301 where: bonds (distance) C4'-P energy: -118.708 bonds (distance) P-C4' energy: -123.917 flat angles C4'-P-C4' energy: -137.780 flat angles P-C4'-P energy: -93.259 tors. eta vs tors. theta energy: -183.730 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: 9 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1899.696366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.696366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.696366 (E_RNA) where: Base-Base interactions energy: -1296.898 where: short stacking energy: -561.051 Base-Backbone interact. energy: -1.531 local terms energy: -601.267457 where: bonds (distance) C4'-P energy: -124.619 bonds (distance) P-C4' energy: -117.639 flat angles C4'-P-C4' energy: -136.936 flat angles P-C4'-P energy: -71.340 tors. eta vs tors. theta energy: -150.733 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: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1775.644496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.644496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.644496 (E_RNA) where: Base-Base interactions energy: -1230.177 where: short stacking energy: -526.746 Base-Backbone interact. energy: 2.308 local terms energy: -547.776070 where: bonds (distance) C4'-P energy: -104.567 bonds (distance) P-C4' energy: -98.919 flat angles C4'-P-C4' energy: -130.696 flat angles P-C4'-P energy: -83.062 tors. eta vs tors. theta energy: -130.532 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: 6, replica: 4 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1536.876360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.876360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.876360 (E_RNA) where: Base-Base interactions energy: -1034.574 where: short stacking energy: -419.006 Base-Backbone interact. energy: -4.293 local terms energy: -498.008868 where: bonds (distance) C4'-P energy: -111.950 bonds (distance) P-C4' energy: -111.854 flat angles C4'-P-C4' energy: -111.151 flat angles P-C4'-P energy: -67.017 tors. eta vs tors. theta energy: -96.037 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: 7, replica: 8 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1313.553910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.553910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.553910 (E_RNA) where: Base-Base interactions energy: -836.026 where: short stacking energy: -382.695 Base-Backbone interact. energy: -1.091 local terms energy: -476.437167 where: bonds (distance) C4'-P energy: -104.604 bonds (distance) P-C4' energy: -114.571 flat angles C4'-P-C4' energy: -114.861 flat angles P-C4'-P energy: -72.555 tors. eta vs tors. theta energy: -69.846 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: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1098.815649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.815649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.815649 (E_RNA) where: Base-Base interactions energy: -670.184 where: short stacking energy: -307.923 Base-Backbone interact. energy: 2.295 local terms energy: -430.927032 where: bonds (distance) C4'-P energy: -97.898 bonds (distance) P-C4' energy: -103.826 flat angles C4'-P-C4' energy: -120.345 flat angles P-C4'-P energy: -46.196 tors. eta vs tors. theta energy: -62.662 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: 3 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -885.410568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.410568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.410568 (E_RNA) where: Base-Base interactions energy: -478.712 where: short stacking energy: -256.911 Base-Backbone interact. energy: -0.659 local terms energy: -406.039001 where: bonds (distance) C4'-P energy: -102.189 bonds (distance) P-C4' energy: -110.048 flat angles C4'-P-C4' energy: -95.557 flat angles P-C4'-P energy: -60.888 tors. eta vs tors. theta energy: -37.358 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: 5 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -750.101955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.101955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.101955 (E_RNA) where: Base-Base interactions energy: -399.186 where: short stacking energy: -199.544 Base-Backbone interact. energy: -0.704 local terms energy: -350.211561 where: bonds (distance) C4'-P energy: -102.975 bonds (distance) P-C4' energy: -95.927 flat angles C4'-P-C4' energy: -98.724 flat angles P-C4'-P energy: -50.916 tors. eta vs tors. theta energy: -1.670 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: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2190.949051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.949051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.949051 (E_RNA) where: Base-Base interactions energy: -1526.427 where: short stacking energy: -608.621 Base-Backbone interact. energy: 2.444 local terms energy: -666.966768 where: bonds (distance) C4'-P energy: -126.355 bonds (distance) P-C4' energy: -129.897 flat angles C4'-P-C4' energy: -137.771 flat angles P-C4'-P energy: -95.044 tors. eta vs tors. theta energy: -177.900 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: 2, replica: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2090.351121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.351121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.351121 (E_RNA) where: Base-Base interactions energy: -1423.458 where: short stacking energy: -635.717 Base-Backbone interact. energy: -3.708 local terms energy: -663.185335 where: bonds (distance) C4'-P energy: -114.957 bonds (distance) P-C4' energy: -111.275 flat angles C4'-P-C4' energy: -148.004 flat angles P-C4'-P energy: -97.482 tors. eta vs tors. theta energy: -191.468 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: 3, replica: 10 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2052.939189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.939189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.939189 (E_RNA) where: Base-Base interactions energy: -1396.074 where: short stacking energy: -604.011 Base-Backbone interact. energy: -1.945 local terms energy: -654.920545 where: bonds (distance) C4'-P energy: -126.552 bonds (distance) P-C4' energy: -129.804 flat angles C4'-P-C4' energy: -136.502 flat angles P-C4'-P energy: -86.569 tors. eta vs tors. theta energy: -175.495 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: 4, replica: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1890.433563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.433563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.433563 (E_RNA) where: Base-Base interactions energy: -1272.722 where: short stacking energy: -567.194 Base-Backbone interact. energy: 0.295 local terms energy: -618.006768 where: bonds (distance) C4'-P energy: -112.786 bonds (distance) P-C4' energy: -111.877 flat angles C4'-P-C4' energy: -135.713 flat angles P-C4'-P energy: -83.718 tors. eta vs tors. theta energy: -173.913 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: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1761.027109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.027109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.027109 (E_RNA) where: Base-Base interactions energy: -1202.462 where: short stacking energy: -495.213 Base-Backbone interact. energy: -0.218 local terms energy: -558.347585 where: bonds (distance) C4'-P energy: -110.780 bonds (distance) P-C4' energy: -108.327 flat angles C4'-P-C4' energy: -122.313 flat angles P-C4'-P energy: -81.839 tors. eta vs tors. theta energy: -135.088 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: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1559.027197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.027197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.027197 (E_RNA) where: Base-Base interactions energy: -1055.662 where: short stacking energy: -423.096 Base-Backbone interact. energy: 2.638 local terms energy: -506.002492 where: bonds (distance) C4'-P energy: -99.179 bonds (distance) P-C4' energy: -112.535 flat angles C4'-P-C4' energy: -113.039 flat angles P-C4'-P energy: -79.570 tors. eta vs tors. theta energy: -101.679 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: 7, replica: 8 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1364.465532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.465532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.465532 (E_RNA) where: Base-Base interactions energy: -878.633 where: short stacking energy: -400.334 Base-Backbone interact. energy: -0.151 local terms energy: -485.682183 where: bonds (distance) C4'-P energy: -101.311 bonds (distance) P-C4' energy: -113.306 flat angles C4'-P-C4' energy: -108.375 flat angles P-C4'-P energy: -72.817 tors. eta vs tors. theta energy: -89.874 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: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1004.617559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.617559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.617559 (E_RNA) where: Base-Base interactions energy: -578.900 where: short stacking energy: -287.852 Base-Backbone interact. energy: 0.650 local terms energy: -426.367526 where: bonds (distance) C4'-P energy: -116.828 bonds (distance) P-C4' energy: -91.270 flat angles C4'-P-C4' energy: -103.230 flat angles P-C4'-P energy: -68.424 tors. eta vs tors. theta energy: -46.616 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: 9, replica: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1045.947877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.947877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.947877 (E_RNA) where: Base-Base interactions energy: -634.112 where: short stacking energy: -291.282 Base-Backbone interact. energy: -3.324 local terms energy: -408.511274 where: bonds (distance) C4'-P energy: -93.927 bonds (distance) P-C4' energy: -120.044 flat angles C4'-P-C4' energy: -107.257 flat angles P-C4'-P energy: -55.299 tors. eta vs tors. theta energy: -31.985 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: 10, replica: 5 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -757.863344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.863344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.863344 (E_RNA) where: Base-Base interactions energy: -410.498 where: short stacking energy: -209.939 Base-Backbone interact. energy: -0.488 local terms energy: -346.878053 where: bonds (distance) C4'-P energy: -82.808 bonds (distance) P-C4' energy: -102.766 flat angles C4'-P-C4' energy: -89.638 flat angles P-C4'-P energy: -62.547 tors. eta vs tors. theta energy: -9.120 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: 1, replica: 1 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2165.625441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.625441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.625441 (E_RNA) where: Base-Base interactions energy: -1502.827 where: short stacking energy: -646.162 Base-Backbone interact. energy: -4.930 local terms energy: -657.868116 where: bonds (distance) C4'-P energy: -127.028 bonds (distance) P-C4' energy: -120.193 flat angles C4'-P-C4' energy: -143.667 flat angles P-C4'-P energy: -85.363 tors. eta vs tors. theta energy: -181.617 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: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2049.797460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.797460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.797460 (E_RNA) where: Base-Base interactions energy: -1411.788 where: short stacking energy: -612.395 Base-Backbone interact. energy: -1.300 local terms energy: -636.709435 where: bonds (distance) C4'-P energy: -116.678 bonds (distance) P-C4' energy: -120.636 flat angles C4'-P-C4' energy: -145.759 flat angles P-C4'-P energy: -85.334 tors. eta vs tors. theta energy: -168.302 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: 10 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2042.327159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.327159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.327159 (E_RNA) where: Base-Base interactions energy: -1392.606 where: short stacking energy: -582.342 Base-Backbone interact. energy: -2.410 local terms energy: -647.310858 where: bonds (distance) C4'-P energy: -123.667 bonds (distance) P-C4' energy: -131.337 flat angles C4'-P-C4' energy: -137.713 flat angles P-C4'-P energy: -85.488 tors. eta vs tors. theta energy: -169.106 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: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1881.828698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.828698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.828698 (E_RNA) where: Base-Base interactions energy: -1281.373 where: short stacking energy: -531.395 Base-Backbone interact. energy: -3.321 local terms energy: -597.134797 where: bonds (distance) C4'-P energy: -111.271 bonds (distance) P-C4' energy: -124.127 flat angles C4'-P-C4' energy: -135.761 flat angles P-C4'-P energy: -76.641 tors. eta vs tors. theta energy: -149.335 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: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1792.644224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.644224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.644224 (E_RNA) where: Base-Base interactions energy: -1233.336 where: short stacking energy: -472.694 Base-Backbone interact. energy: -0.749 local terms energy: -558.558894 where: bonds (distance) C4'-P energy: -106.034 bonds (distance) P-C4' energy: -118.384 flat angles C4'-P-C4' energy: -120.162 flat angles P-C4'-P energy: -83.193 tors. eta vs tors. theta energy: -130.786 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: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1566.439819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.439819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.439819 (E_RNA) where: Base-Base interactions energy: -1092.566 where: short stacking energy: -453.030 Base-Backbone interact. energy: -1.209 local terms energy: -472.664900 where: bonds (distance) C4'-P energy: -95.822 bonds (distance) P-C4' energy: -94.144 flat angles C4'-P-C4' energy: -104.724 flat angles P-C4'-P energy: -68.135 tors. eta vs tors. theta energy: -109.840 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: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1369.740760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.740760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.740760 (E_RNA) where: Base-Base interactions energy: -888.629 where: short stacking energy: -402.525 Base-Backbone interact. energy: -3.421 local terms energy: -477.690740 where: bonds (distance) C4'-P energy: -98.462 bonds (distance) P-C4' energy: -115.925 flat angles C4'-P-C4' energy: -97.672 flat angles P-C4'-P energy: -70.413 tors. eta vs tors. theta energy: -95.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1068.550807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.550807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.550807 (E_RNA) where: Base-Base interactions energy: -655.581 where: short stacking energy: -313.406 Base-Backbone interact. energy: -0.238 local terms energy: -412.731836 where: bonds (distance) C4'-P energy: -86.694 bonds (distance) P-C4' energy: -96.213 flat angles C4'-P-C4' energy: -111.829 flat angles P-C4'-P energy: -52.087 tors. eta vs tors. theta energy: -65.908 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: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1092.727625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.727625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.727625 (E_RNA) where: Base-Base interactions energy: -676.085 where: short stacking energy: -327.187 Base-Backbone interact. energy: -1.148 local terms energy: -415.493712 where: bonds (distance) C4'-P energy: -84.796 bonds (distance) P-C4' energy: -95.377 flat angles C4'-P-C4' energy: -108.084 flat angles P-C4'-P energy: -68.510 tors. eta vs tors. theta energy: -58.726 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: 10, replica: 5 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -720.144246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.144246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.144246 (E_RNA) where: Base-Base interactions energy: -405.612 where: short stacking energy: -198.013 Base-Backbone interact. energy: -0.116 local terms energy: -314.416396 where: bonds (distance) C4'-P energy: -104.929 bonds (distance) P-C4' energy: -101.098 flat angles C4'-P-C4' energy: -65.021 flat angles P-C4'-P energy: -43.328 tors. eta vs tors. theta energy: -0.040 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: 1, replica: 1 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2191.181564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.181564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.181564 (E_RNA) where: Base-Base interactions energy: -1521.952 where: short stacking energy: -635.413 Base-Backbone interact. energy: 0.465 local terms energy: -669.694662 where: bonds (distance) C4'-P energy: -127.229 bonds (distance) P-C4' energy: -125.987 flat angles C4'-P-C4' energy: -134.235 flat angles P-C4'-P energy: -100.957 tors. eta vs tors. theta energy: -181.287 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: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2084.175906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.175906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.175906 (E_RNA) where: Base-Base interactions energy: -1417.842 where: short stacking energy: -617.409 Base-Backbone interact. energy: -2.943 local terms energy: -663.390914 where: bonds (distance) C4'-P energy: -119.895 bonds (distance) P-C4' energy: -113.853 flat angles C4'-P-C4' energy: -145.585 flat angles P-C4'-P energy: -101.830 tors. eta vs tors. theta energy: -182.228 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: 10 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2028.065451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.065451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.065451 (E_RNA) where: Base-Base interactions energy: -1406.026 where: short stacking energy: -602.093 Base-Backbone interact. energy: -1.200 local terms energy: -620.838992 where: bonds (distance) C4'-P energy: -108.725 bonds (distance) P-C4' energy: -125.018 flat angles C4'-P-C4' energy: -141.204 flat angles P-C4'-P energy: -69.953 tors. eta vs tors. theta energy: -175.940 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: 4, replica: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1883.592696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.592696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.592696 (E_RNA) where: Base-Base interactions energy: -1258.973 where: short stacking energy: -542.380 Base-Backbone interact. energy: -3.057 local terms energy: -621.563011 where: bonds (distance) C4'-P energy: -111.105 bonds (distance) P-C4' energy: -132.535 flat angles C4'-P-C4' energy: -133.995 flat angles P-C4'-P energy: -84.825 tors. eta vs tors. theta energy: -159.104 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: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1822.713957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.713957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.713957 (E_RNA) where: Base-Base interactions energy: -1240.249 where: short stacking energy: -522.224 Base-Backbone interact. energy: -2.740 local terms energy: -579.725933 where: bonds (distance) C4'-P energy: -102.401 bonds (distance) P-C4' energy: -109.594 flat angles C4'-P-C4' energy: -135.480 flat angles P-C4'-P energy: -83.625 tors. eta vs tors. theta energy: -148.626 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: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1536.993266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.993266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.993266 (E_RNA) where: Base-Base interactions energy: -1016.130 where: short stacking energy: -419.128 Base-Backbone interact. energy: -0.833 local terms energy: -520.030811 where: bonds (distance) C4'-P energy: -97.112 bonds (distance) P-C4' energy: -124.344 flat angles C4'-P-C4' energy: -111.509 flat angles P-C4'-P energy: -78.193 tors. eta vs tors. theta energy: -108.872 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: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1421.921946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.921946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.921946 (E_RNA) where: Base-Base interactions energy: -875.449 where: short stacking energy: -386.469 Base-Backbone interact. energy: 1.429 local terms energy: -547.902019 where: bonds (distance) C4'-P energy: -116.871 bonds (distance) P-C4' energy: -122.565 flat angles C4'-P-C4' energy: -117.572 flat angles P-C4'-P energy: -85.870 tors. eta vs tors. theta energy: -105.024 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: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1220.548041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.548041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.548041 (E_RNA) where: Base-Base interactions energy: -785.336 where: short stacking energy: -360.077 Base-Backbone interact. energy: -4.979 local terms energy: -430.233100 where: bonds (distance) C4'-P energy: -94.562 bonds (distance) P-C4' energy: -97.982 flat angles C4'-P-C4' energy: -102.713 flat angles P-C4'-P energy: -66.505 tors. eta vs tors. theta energy: -68.471 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: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1054.445008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.445008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.445008 (E_RNA) where: Base-Base interactions energy: -643.315 where: short stacking energy: -306.671 Base-Backbone interact. energy: 2.204 local terms energy: -413.333804 where: bonds (distance) C4'-P energy: -113.601 bonds (distance) P-C4' energy: -91.418 flat angles C4'-P-C4' energy: -106.009 flat angles P-C4'-P energy: -58.153 tors. eta vs tors. theta energy: -44.152 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: 5 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -760.019775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.019775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.019775 (E_RNA) where: Base-Base interactions energy: -415.013 where: short stacking energy: -197.686 Base-Backbone interact. energy: -0.661 local terms energy: -344.345929 where: bonds (distance) C4'-P energy: -104.785 bonds (distance) P-C4' energy: -86.483 flat angles C4'-P-C4' energy: -78.247 flat angles P-C4'-P energy: -55.949 tors. eta vs tors. theta energy: -18.881 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: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2219.165390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.165390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.165390 (E_RNA) where: Base-Base interactions energy: -1549.694 where: short stacking energy: -631.966 Base-Backbone interact. energy: -3.039 local terms energy: -666.433375 where: bonds (distance) C4'-P energy: -133.275 bonds (distance) P-C4' energy: -113.541 flat angles C4'-P-C4' energy: -147.878 flat angles P-C4'-P energy: -94.881 tors. eta vs tors. theta energy: -176.858 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: 7 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2082.010266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.010266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.010266 (E_RNA) where: Base-Base interactions energy: -1424.834 where: short stacking energy: -624.405 Base-Backbone interact. energy: -3.199 local terms energy: -653.977643 where: bonds (distance) C4'-P energy: -98.706 bonds (distance) P-C4' energy: -132.936 flat angles C4'-P-C4' energy: -135.699 flat angles P-C4'-P energy: -95.103 tors. eta vs tors. theta energy: -191.534 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: 3, replica: 10 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2064.897446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.897446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.897446 (E_RNA) where: Base-Base interactions energy: -1431.053 where: short stacking energy: -609.669 Base-Backbone interact. energy: -3.027 local terms energy: -630.817058 where: bonds (distance) C4'-P energy: -124.373 bonds (distance) P-C4' energy: -116.746 flat angles C4'-P-C4' energy: -129.767 flat angles P-C4'-P energy: -93.192 tors. eta vs tors. theta energy: -166.739 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: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1878.444526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.444526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.444526 (E_RNA) where: Base-Base interactions energy: -1275.502 where: short stacking energy: -557.499 Base-Backbone interact. energy: -2.476 local terms energy: -600.466752 where: bonds (distance) C4'-P energy: -111.790 bonds (distance) P-C4' energy: -113.088 flat angles C4'-P-C4' energy: -143.867 flat angles P-C4'-P energy: -80.100 tors. eta vs tors. theta energy: -151.623 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: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1797.182860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.182860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.182860 (E_RNA) where: Base-Base interactions energy: -1217.399 where: short stacking energy: -507.758 Base-Backbone interact. energy: -2.172 local terms energy: -577.611537 where: bonds (distance) C4'-P energy: -115.054 bonds (distance) P-C4' energy: -111.617 flat angles C4'-P-C4' energy: -132.507 flat angles P-C4'-P energy: -75.884 tors. eta vs tors. theta energy: -142.550 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: 6, replica: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1580.080602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.080602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.080602 (E_RNA) where: Base-Base interactions energy: -1051.481 where: short stacking energy: -444.742 Base-Backbone interact. energy: -0.597 local terms energy: -528.002421 where: bonds (distance) C4'-P energy: -96.455 bonds (distance) P-C4' energy: -116.348 flat angles C4'-P-C4' energy: -134.901 flat angles P-C4'-P energy: -69.456 tors. eta vs tors. theta energy: -110.843 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: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1409.284006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.284006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.284006 (E_RNA) where: Base-Base interactions energy: -916.821 where: short stacking energy: -423.355 Base-Backbone interact. energy: 0.394 local terms energy: -492.856598 where: bonds (distance) C4'-P energy: -98.113 bonds (distance) P-C4' energy: -95.713 flat angles C4'-P-C4' energy: -115.173 flat angles P-C4'-P energy: -82.933 tors. eta vs tors. theta energy: -100.925 Dist. restrs. and SS energy: 0.000 (S_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: 214 Temperature: 1.250000 Total energy: -1196.481579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.481579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.481579 (E_RNA) where: Base-Base interactions energy: -754.484 where: short stacking energy: -358.440 Base-Backbone interact. energy: 3.868 local terms energy: -445.865771 where: bonds (distance) C4'-P energy: -110.461 bonds (distance) P-C4' energy: -105.765 flat angles C4'-P-C4' energy: -97.024 flat angles P-C4'-P energy: -72.195 tors. eta vs tors. theta energy: -60.421 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: 3 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -960.683620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.683620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.683620 (E_RNA) where: Base-Base interactions energy: -576.648 where: short stacking energy: -259.964 Base-Backbone interact. energy: 2.176 local terms energy: -386.211730 where: bonds (distance) C4'-P energy: -95.689 bonds (distance) P-C4' energy: -109.919 flat angles C4'-P-C4' energy: -89.310 flat angles P-C4'-P energy: -59.055 tors. eta vs tors. theta energy: -32.239 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: 10, replica: 5 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -714.688507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.688507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.688507 (E_RNA) where: Base-Base interactions energy: -360.381 where: short stacking energy: -171.703 Base-Backbone interact. energy: 0.263 local terms energy: -354.570102 where: bonds (distance) C4'-P energy: -97.978 bonds (distance) P-C4' energy: -97.690 flat angles C4'-P-C4' energy: -91.948 flat angles P-C4'-P energy: -63.873 tors. eta vs tors. theta energy: -3.081 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: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2253.546218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.546218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.546218 (E_RNA) where: Base-Base interactions energy: -1582.139 where: short stacking energy: -657.363 Base-Backbone interact. energy: -0.086 local terms energy: -671.321370 where: bonds (distance) C4'-P energy: -121.878 bonds (distance) P-C4' energy: -121.566 flat angles C4'-P-C4' energy: -149.218 flat angles P-C4'-P energy: -98.041 tors. eta vs tors. theta energy: -180.619 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: 2, replica: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2089.925469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.925469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.925469 (E_RNA) where: Base-Base interactions energy: -1431.393 where: short stacking energy: -626.039 Base-Backbone interact. energy: -3.400 local terms energy: -655.133401 where: bonds (distance) C4'-P energy: -113.978 bonds (distance) P-C4' energy: -121.092 flat angles C4'-P-C4' energy: -143.539 flat angles P-C4'-P energy: -92.179 tors. eta vs tors. theta energy: -184.345 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: 10 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2022.470153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.470153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.470153 (E_RNA) where: Base-Base interactions energy: -1392.414 where: short stacking energy: -604.533 Base-Backbone interact. energy: 5.435 local terms energy: -635.490956 where: bonds (distance) C4'-P energy: -123.301 bonds (distance) P-C4' energy: -123.775 flat angles C4'-P-C4' energy: -133.406 flat angles P-C4'-P energy: -90.462 tors. eta vs tors. theta energy: -164.546 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: 4, replica: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1866.542418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.542418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.542418 (E_RNA) where: Base-Base interactions energy: -1247.953 where: short stacking energy: -535.810 Base-Backbone interact. energy: -2.636 local terms energy: -615.954000 where: bonds (distance) C4'-P energy: -105.846 bonds (distance) P-C4' energy: -128.869 flat angles C4'-P-C4' energy: -130.077 flat angles P-C4'-P energy: -92.752 tors. eta vs tors. theta energy: -158.410 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: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1759.449415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.449415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.449415 (E_RNA) where: Base-Base interactions energy: -1187.000 where: short stacking energy: -484.891 Base-Backbone interact. energy: -1.072 local terms energy: -571.377822 where: bonds (distance) C4'-P energy: -118.967 bonds (distance) P-C4' energy: -125.917 flat angles C4'-P-C4' energy: -118.481 flat angles P-C4'-P energy: -85.325 tors. eta vs tors. theta energy: -122.688 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: 6, replica: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1567.275550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.275550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.275550 (E_RNA) where: Base-Base interactions energy: -1015.867 where: short stacking energy: -402.520 Base-Backbone interact. energy: -0.534 local terms energy: -550.874284 where: bonds (distance) C4'-P energy: -120.803 bonds (distance) P-C4' energy: -127.850 flat angles C4'-P-C4' energy: -119.651 flat angles P-C4'-P energy: -76.674 tors. eta vs tors. theta energy: -105.898 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: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1470.093491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.093491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.093491 (E_RNA) where: Base-Base interactions energy: -949.346 where: short stacking energy: -445.779 Base-Backbone interact. energy: 0.171 local terms energy: -520.918326 where: bonds (distance) C4'-P energy: -97.317 bonds (distance) P-C4' energy: -101.765 flat angles C4'-P-C4' energy: -123.912 flat angles P-C4'-P energy: -81.533 tors. eta vs tors. theta energy: -116.392 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: 8, replica: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1177.576399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.576399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.576399 (E_RNA) where: Base-Base interactions energy: -722.242 where: short stacking energy: -344.238 Base-Backbone interact. energy: 0.261 local terms energy: -455.595702 where: bonds (distance) C4'-P energy: -104.715 bonds (distance) P-C4' energy: -109.556 flat angles C4'-P-C4' energy: -101.435 flat angles P-C4'-P energy: -75.421 tors. eta vs tors. theta energy: -64.469 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: 3 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -927.430400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.430400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.430400 (E_RNA) where: Base-Base interactions energy: -553.830 where: short stacking energy: -273.553 Base-Backbone interact. energy: 1.392 local terms energy: -374.992590 where: bonds (distance) C4'-P energy: -91.542 bonds (distance) P-C4' energy: -108.307 flat angles C4'-P-C4' energy: -93.839 flat angles P-C4'-P energy: -50.421 tors. eta vs tors. theta energy: -30.882 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: 10, replica: 5 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -832.692769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.692769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.692769 (E_RNA) where: Base-Base interactions energy: -459.312 where: short stacking energy: -249.682 Base-Backbone interact. energy: 4.581 local terms energy: -377.961366 where: bonds (distance) C4'-P energy: -111.882 bonds (distance) P-C4' energy: -100.472 flat angles C4'-P-C4' energy: -93.433 flat angles P-C4'-P energy: -52.756 tors. eta vs tors. theta energy: -19.417 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: 1 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2248.196120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.196120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.196120 (E_RNA) where: Base-Base interactions energy: -1575.790 where: short stacking energy: -649.275 Base-Backbone interact. energy: -2.129 local terms energy: -670.277081 where: bonds (distance) C4'-P energy: -128.340 bonds (distance) P-C4' energy: -124.613 flat angles C4'-P-C4' energy: -142.106 flat angles P-C4'-P energy: -96.170 tors. eta vs tors. theta energy: -179.048 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: 2, replica: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2096.915418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.915418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.915418 (E_RNA) where: Base-Base interactions energy: -1420.797 where: short stacking energy: -635.738 Base-Backbone interact. energy: -2.428 local terms energy: -673.690008 where: bonds (distance) C4'-P energy: -114.600 bonds (distance) P-C4' energy: -123.886 flat angles C4'-P-C4' energy: -147.159 flat angles P-C4'-P energy: -94.755 tors. eta vs tors. theta energy: -193.289 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: 3, replica: 10 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2038.880550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.880550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.880550 (E_RNA) where: Base-Base interactions energy: -1405.749 where: short stacking energy: -581.575 Base-Backbone interact. energy: -3.551 local terms energy: -629.580248 where: bonds (distance) C4'-P energy: -109.514 bonds (distance) P-C4' energy: -118.106 flat angles C4'-P-C4' energy: -138.642 flat angles P-C4'-P energy: -94.997 tors. eta vs tors. theta energy: -168.321 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: 4, replica: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1908.913237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.913237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.913237 (E_RNA) where: Base-Base interactions energy: -1293.157 where: short stacking energy: -556.916 Base-Backbone interact. energy: -3.776 local terms energy: -611.980344 where: bonds (distance) C4'-P energy: -114.270 bonds (distance) P-C4' energy: -120.219 flat angles C4'-P-C4' energy: -136.788 flat angles P-C4'-P energy: -80.987 tors. eta vs tors. theta energy: -159.716 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: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1756.891051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.891051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.891051 (E_RNA) where: Base-Base interactions energy: -1162.563 where: short stacking energy: -497.740 Base-Backbone interact. energy: -5.051 local terms energy: -589.277116 where: bonds (distance) C4'-P energy: -116.045 bonds (distance) P-C4' energy: -125.290 flat angles C4'-P-C4' energy: -131.315 flat angles P-C4'-P energy: -81.673 tors. eta vs tors. theta energy: -134.954 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: 6, replica: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1620.442063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.442063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.442063 (E_RNA) where: Base-Base interactions energy: -1089.950 where: short stacking energy: -463.421 Base-Backbone interact. energy: 1.113 local terms energy: -531.605709 where: bonds (distance) C4'-P energy: -117.638 bonds (distance) P-C4' energy: -103.307 flat angles C4'-P-C4' energy: -120.594 flat angles P-C4'-P energy: -66.264 tors. eta vs tors. theta energy: -123.803 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: 7, replica: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1348.214314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.214314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.214314 (E_RNA) where: Base-Base interactions energy: -880.914 where: short stacking energy: -377.043 Base-Backbone interact. energy: -1.967 local terms energy: -465.333000 where: bonds (distance) C4'-P energy: -98.504 bonds (distance) P-C4' energy: -122.794 flat angles C4'-P-C4' energy: -104.670 flat angles P-C4'-P energy: -59.351 tors. eta vs tors. theta energy: -80.014 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: 8, replica: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1154.408966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.408966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.408966 (E_RNA) where: Base-Base interactions energy: -715.895 where: short stacking energy: -322.232 Base-Backbone interact. energy: -1.194 local terms energy: -437.320011 where: bonds (distance) C4'-P energy: -114.845 bonds (distance) P-C4' energy: -121.156 flat angles C4'-P-C4' energy: -97.785 flat angles P-C4'-P energy: -50.633 tors. eta vs tors. theta energy: -52.900 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: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -931.862293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.862293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.862293 (E_RNA) where: Base-Base interactions energy: -546.921 where: short stacking energy: -248.875 Base-Backbone interact. energy: 3.502 local terms energy: -388.443261 where: bonds (distance) C4'-P energy: -103.777 bonds (distance) P-C4' energy: -110.030 flat angles C4'-P-C4' energy: -105.014 flat angles P-C4'-P energy: -58.607 tors. eta vs tors. theta energy: -11.015 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: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -819.076232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.076232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.076232 (E_RNA) where: Base-Base interactions energy: -463.939 where: short stacking energy: -239.920 Base-Backbone interact. energy: 2.407 local terms energy: -357.544058 where: bonds (distance) C4'-P energy: -101.394 bonds (distance) P-C4' energy: -83.187 flat angles C4'-P-C4' energy: -97.849 flat angles P-C4'-P energy: -52.716 tors. eta vs tors. theta energy: -22.398 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: 1, replica: 1 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2202.860151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.860151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.860151 (E_RNA) where: Base-Base interactions energy: -1550.371 where: short stacking energy: -623.567 Base-Backbone interact. energy: -3.125 local terms energy: -649.363696 where: bonds (distance) C4'-P energy: -112.361 bonds (distance) P-C4' energy: -134.283 flat angles C4'-P-C4' energy: -140.388 flat angles P-C4'-P energy: -80.884 tors. eta vs tors. theta energy: -181.448 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: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2117.870243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.870243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.870243 (E_RNA) where: Base-Base interactions energy: -1442.102 where: short stacking energy: -609.174 Base-Backbone interact. energy: -1.937 local terms energy: -673.832210 where: bonds (distance) C4'-P energy: -117.432 bonds (distance) P-C4' energy: -130.309 flat angles C4'-P-C4' energy: -143.936 flat angles P-C4'-P energy: -101.177 tors. eta vs tors. theta energy: -180.979 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: 7 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2027.659612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.659612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.659612 (E_RNA) where: Base-Base interactions energy: -1401.833 where: short stacking energy: -611.406 Base-Backbone interact. energy: -0.877 local terms energy: -624.949885 where: bonds (distance) C4'-P energy: -114.205 bonds (distance) P-C4' energy: -118.740 flat angles C4'-P-C4' energy: -129.403 flat angles P-C4'-P energy: -79.791 tors. eta vs tors. theta energy: -182.811 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: 4, replica: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1899.043527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.043527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.043527 (E_RNA) where: Base-Base interactions energy: -1285.446 where: short stacking energy: -558.365 Base-Backbone interact. energy: 0.158 local terms energy: -613.756098 where: bonds (distance) C4'-P energy: -114.032 bonds (distance) P-C4' energy: -121.007 flat angles C4'-P-C4' energy: -131.176 flat angles P-C4'-P energy: -89.840 tors. eta vs tors. theta energy: -157.702 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: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1740.428798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.428798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.428798 (E_RNA) where: Base-Base interactions energy: -1190.516 where: short stacking energy: -475.915 Base-Backbone interact. energy: -1.489 local terms energy: -548.424410 where: bonds (distance) C4'-P energy: -120.086 bonds (distance) P-C4' energy: -111.224 flat angles C4'-P-C4' energy: -121.478 flat angles P-C4'-P energy: -72.492 tors. eta vs tors. theta energy: -123.145 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: 6, replica: 4 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1639.021772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.021772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.021772 (E_RNA) where: Base-Base interactions energy: -1125.162 where: short stacking energy: -460.339 Base-Backbone interact. energy: -3.195 local terms energy: -510.664300 where: bonds (distance) C4'-P energy: -101.552 bonds (distance) P-C4' energy: -103.666 flat angles C4'-P-C4' energy: -108.638 flat angles P-C4'-P energy: -60.695 tors. eta vs tors. theta energy: -136.114 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: 8 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1394.394543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.394543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.394543 (E_RNA) where: Base-Base interactions energy: -908.994 where: short stacking energy: -409.411 Base-Backbone interact. energy: -0.923 local terms energy: -484.477066 where: bonds (distance) C4'-P energy: -102.800 bonds (distance) P-C4' energy: -92.604 flat angles C4'-P-C4' energy: -114.518 flat angles P-C4'-P energy: -84.780 tors. eta vs tors. theta energy: -89.775 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: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1146.160257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.160257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.160257 (E_RNA) where: Base-Base interactions energy: -742.588 where: short stacking energy: -354.363 Base-Backbone interact. energy: 2.947 local terms energy: -406.519133 where: bonds (distance) C4'-P energy: -82.529 bonds (distance) P-C4' energy: -98.200 flat angles C4'-P-C4' energy: -106.171 flat angles P-C4'-P energy: -61.611 tors. eta vs tors. theta energy: -58.008 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: 9, replica: 3 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -972.201352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.201352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.201352 (E_RNA) where: Base-Base interactions energy: -563.348 where: short stacking energy: -277.766 Base-Backbone interact. energy: 1.850 local terms energy: -410.703869 where: bonds (distance) C4'-P energy: -86.593 bonds (distance) P-C4' energy: -119.300 flat angles C4'-P-C4' energy: -109.587 flat angles P-C4'-P energy: -59.048 tors. eta vs tors. theta energy: -36.175 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: 10, replica: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -817.751128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.751128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.751128 (E_RNA) where: Base-Base interactions energy: -446.893 where: short stacking energy: -228.568 Base-Backbone interact. energy: -1.276 local terms energy: -369.582217 where: bonds (distance) C4'-P energy: -104.311 bonds (distance) P-C4' energy: -112.842 flat angles C4'-P-C4' energy: -84.452 flat angles P-C4'-P energy: -49.569 tors. eta vs tors. theta energy: -18.408 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: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2171.703119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.703119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.703119 (E_RNA) where: Base-Base interactions energy: -1523.415 where: short stacking energy: -617.916 Base-Backbone interact. energy: -1.182 local terms energy: -647.106786 where: bonds (distance) C4'-P energy: -107.115 bonds (distance) P-C4' energy: -136.204 flat angles C4'-P-C4' energy: -131.044 flat angles P-C4'-P energy: -105.068 tors. eta vs tors. theta energy: -167.675 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: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2116.242316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.242316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.242316 (E_RNA) where: Base-Base interactions energy: -1452.490 where: short stacking energy: -616.803 Base-Backbone interact. energy: -4.023 local terms energy: -659.729147 where: bonds (distance) C4'-P energy: -110.480 bonds (distance) P-C4' energy: -123.121 flat angles C4'-P-C4' energy: -140.609 flat angles P-C4'-P energy: -96.460 tors. eta vs tors. theta energy: -189.060 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: 7 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2029.753677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.753677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.753677 (E_RNA) where: Base-Base interactions energy: -1371.068 where: short stacking energy: -599.492 Base-Backbone interact. energy: -2.028 local terms energy: -656.657798 where: bonds (distance) C4'-P energy: -127.411 bonds (distance) P-C4' energy: -129.463 flat angles C4'-P-C4' energy: -142.365 flat angles P-C4'-P energy: -85.233 tors. eta vs tors. theta energy: -172.186 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: 9 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1879.185714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.185714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.185714 (E_RNA) where: Base-Base interactions energy: -1290.366 where: short stacking energy: -552.807 Base-Backbone interact. energy: -2.180 local terms energy: -586.639883 where: bonds (distance) C4'-P energy: -112.953 bonds (distance) P-C4' energy: -118.962 flat angles C4'-P-C4' energy: -128.018 flat angles P-C4'-P energy: -75.288 tors. eta vs tors. theta energy: -151.419 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: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1776.202470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.202470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.202470 (E_RNA) where: Base-Base interactions energy: -1209.860 where: short stacking energy: -512.685 Base-Backbone interact. energy: -1.342 local terms energy: -565.000435 where: bonds (distance) C4'-P energy: -86.621 bonds (distance) P-C4' energy: -118.542 flat angles C4'-P-C4' energy: -132.742 flat angles P-C4'-P energy: -84.333 tors. eta vs tors. theta energy: -142.762 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: 6, replica: 4 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1621.206458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.206458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.206458 (E_RNA) where: Base-Base interactions energy: -1107.073 where: short stacking energy: -458.531 Base-Backbone interact. energy: -0.920 local terms energy: -513.213359 where: bonds (distance) C4'-P energy: -105.548 bonds (distance) P-C4' energy: -104.280 flat angles C4'-P-C4' energy: -108.350 flat angles P-C4'-P energy: -77.430 tors. eta vs tors. theta energy: -117.606 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: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1399.269477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.269477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.269477 (E_RNA) where: Base-Base interactions energy: -876.189 where: short stacking energy: -401.712 Base-Backbone interact. energy: -2.964 local terms energy: -520.116704 where: bonds (distance) C4'-P energy: -113.331 bonds (distance) P-C4' energy: -112.229 flat angles C4'-P-C4' energy: -123.653 flat angles P-C4'-P energy: -73.577 tors. eta vs tors. theta energy: -97.328 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: 8, replica: 2 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1209.168492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.168492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.168492 (E_RNA) where: Base-Base interactions energy: -751.638 where: short stacking energy: -366.543 Base-Backbone interact. energy: 5.925 local terms energy: -463.454749 where: bonds (distance) C4'-P energy: -94.235 bonds (distance) P-C4' energy: -108.051 flat angles C4'-P-C4' energy: -107.903 flat angles P-C4'-P energy: -71.042 tors. eta vs tors. theta energy: -82.223 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: 9, replica: 3 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -975.331461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.331461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.331461 (E_RNA) where: Base-Base interactions energy: -575.543 where: short stacking energy: -280.098 Base-Backbone interact. energy: 3.064 local terms energy: -402.852172 where: bonds (distance) C4'-P energy: -100.647 bonds (distance) P-C4' energy: -104.985 flat angles C4'-P-C4' energy: -93.508 flat angles P-C4'-P energy: -60.613 tors. eta vs tors. theta energy: -43.099 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: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -826.674579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.674579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.674579 (E_RNA) where: Base-Base interactions energy: -463.809 where: short stacking energy: -242.894 Base-Backbone interact. energy: -1.255 local terms energy: -361.610944 where: bonds (distance) C4'-P energy: -75.768 bonds (distance) P-C4' energy: -113.183 flat angles C4'-P-C4' energy: -84.087 flat angles P-C4'-P energy: -47.138 tors. eta vs tors. theta energy: -41.435 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: 1, replica: 1 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2193.100570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.100570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.100570 (E_RNA) where: Base-Base interactions energy: -1525.817 where: short stacking energy: -622.610 Base-Backbone interact. energy: -2.641 local terms energy: -664.642563 where: bonds (distance) C4'-P energy: -124.530 bonds (distance) P-C4' energy: -124.244 flat angles C4'-P-C4' energy: -145.781 flat angles P-C4'-P energy: -85.221 tors. eta vs tors. theta energy: -184.868 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: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2115.035963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.035963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.035963 (E_RNA) where: Base-Base interactions energy: -1446.802 where: short stacking energy: -626.280 Base-Backbone interact. energy: -1.408 local terms energy: -666.825922 where: bonds (distance) C4'-P energy: -116.826 bonds (distance) P-C4' energy: -120.038 flat angles C4'-P-C4' energy: -144.501 flat angles P-C4'-P energy: -103.236 tors. eta vs tors. theta energy: -182.225 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: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2036.456940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.456940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.456940 (E_RNA) where: Base-Base interactions energy: -1401.055 where: short stacking energy: -605.080 Base-Backbone interact. energy: -2.775 local terms energy: -632.626997 where: bonds (distance) C4'-P energy: -119.096 bonds (distance) P-C4' energy: -114.961 flat angles C4'-P-C4' energy: -141.473 flat angles P-C4'-P energy: -79.829 tors. eta vs tors. theta energy: -177.268 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: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1920.556745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.556745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.556745 (E_RNA) where: Base-Base interactions energy: -1307.095 where: short stacking energy: -568.065 Base-Backbone interact. energy: 3.987 local terms energy: -617.449293 where: bonds (distance) C4'-P energy: -123.632 bonds (distance) P-C4' energy: -118.834 flat angles C4'-P-C4' energy: -130.093 flat angles P-C4'-P energy: -85.520 tors. eta vs tors. theta energy: -159.371 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: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1735.066034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.066034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.066034 (E_RNA) where: Base-Base interactions energy: -1200.703 where: short stacking energy: -520.417 Base-Backbone interact. energy: 2.245 local terms energy: -536.608105 where: bonds (distance) C4'-P energy: -102.796 bonds (distance) P-C4' energy: -100.308 flat angles C4'-P-C4' energy: -114.553 flat angles P-C4'-P energy: -87.470 tors. eta vs tors. theta energy: -131.481 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: 4 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1597.847170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.847170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.847170 (E_RNA) where: Base-Base interactions energy: -1078.131 where: short stacking energy: -480.131 Base-Backbone interact. energy: -3.299 local terms energy: -516.417294 where: bonds (distance) C4'-P energy: -101.743 bonds (distance) P-C4' energy: -94.227 flat angles C4'-P-C4' energy: -118.142 flat angles P-C4'-P energy: -76.135 tors. eta vs tors. theta energy: -126.171 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: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1304.748933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.748933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.748933 (E_RNA) where: Base-Base interactions energy: -837.425 where: short stacking energy: -378.274 Base-Backbone interact. energy: 1.667 local terms energy: -468.991298 where: bonds (distance) C4'-P energy: -86.954 bonds (distance) P-C4' energy: -132.618 flat angles C4'-P-C4' energy: -115.151 flat angles P-C4'-P energy: -63.010 tors. eta vs tors. theta energy: -71.259 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: 2 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1179.219384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.219384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.219384 (E_RNA) where: Base-Base interactions energy: -739.105 where: short stacking energy: -304.436 Base-Backbone interact. energy: -0.622 local terms energy: -439.491664 where: bonds (distance) C4'-P energy: -108.666 bonds (distance) P-C4' energy: -96.775 flat angles C4'-P-C4' energy: -105.449 flat angles P-C4'-P energy: -67.928 tors. eta vs tors. theta energy: -60.674 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: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1005.215239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.215239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.215239 (E_RNA) where: Base-Base interactions energy: -599.133 where: short stacking energy: -291.689 Base-Backbone interact. energy: -1.448 local terms energy: -404.634380 where: bonds (distance) C4'-P energy: -99.606 bonds (distance) P-C4' energy: -121.799 flat angles C4'-P-C4' energy: -92.445 flat angles P-C4'-P energy: -54.245 tors. eta vs tors. theta energy: -36.539 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: 10, replica: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -813.925876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.925876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.925876 (E_RNA) where: Base-Base interactions energy: -429.230 where: short stacking energy: -224.147 Base-Backbone interact. energy: 7.516 local terms energy: -392.212218 where: bonds (distance) C4'-P energy: -98.254 bonds (distance) P-C4' energy: -103.288 flat angles C4'-P-C4' energy: -97.816 flat angles P-C4'-P energy: -75.948 tors. eta vs tors. theta energy: -16.907 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: 1, replica: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2200.473058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.473058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.473058 (E_RNA) where: Base-Base interactions energy: -1546.345 where: short stacking energy: -611.142 Base-Backbone interact. energy: -3.477 local terms energy: -650.651223 where: bonds (distance) C4'-P energy: -118.220 bonds (distance) P-C4' energy: -132.646 flat angles C4'-P-C4' energy: -132.743 flat angles P-C4'-P energy: -87.985 tors. eta vs tors. theta energy: -179.057 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: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2056.871084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.871084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.871084 (E_RNA) where: Base-Base interactions energy: -1410.036 where: short stacking energy: -604.643 Base-Backbone interact. energy: -0.425 local terms energy: -646.409735 where: bonds (distance) C4'-P energy: -108.999 bonds (distance) P-C4' energy: -114.117 flat angles C4'-P-C4' energy: -141.749 flat angles P-C4'-P energy: -107.749 tors. eta vs tors. theta energy: -173.796 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: 3, replica: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2021.175945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.175945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.175945 (E_RNA) where: Base-Base interactions energy: -1389.726 where: short stacking energy: -612.051 Base-Backbone interact. energy: -1.165 local terms energy: -630.285261 where: bonds (distance) C4'-P energy: -110.709 bonds (distance) P-C4' energy: -117.079 flat angles C4'-P-C4' energy: -137.423 flat angles P-C4'-P energy: -95.961 tors. eta vs tors. theta energy: -169.113 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: 4, replica: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1895.176353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.176353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.176353 (E_RNA) where: Base-Base interactions energy: -1294.660 where: short stacking energy: -556.454 Base-Backbone interact. energy: -1.775 local terms energy: -598.741345 where: bonds (distance) C4'-P energy: -125.095 bonds (distance) P-C4' energy: -123.168 flat angles C4'-P-C4' energy: -120.629 flat angles P-C4'-P energy: -81.692 tors. eta vs tors. theta energy: -148.157 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: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1798.588579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.588579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.588579 (E_RNA) where: Base-Base interactions energy: -1214.545 where: short stacking energy: -515.237 Base-Backbone interact. energy: 0.575 local terms energy: -584.619136 where: bonds (distance) C4'-P energy: -100.964 bonds (distance) P-C4' energy: -117.776 flat angles C4'-P-C4' energy: -139.737 flat angles P-C4'-P energy: -79.738 tors. eta vs tors. theta energy: -146.404 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: 6, replica: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1568.538449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.538449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.538449 (E_RNA) where: Base-Base interactions energy: -1055.869 where: short stacking energy: -435.925 Base-Backbone interact. energy: -3.050 local terms energy: -509.619543 where: bonds (distance) C4'-P energy: -97.853 bonds (distance) P-C4' energy: -111.913 flat angles C4'-P-C4' energy: -124.107 flat angles P-C4'-P energy: -77.271 tors. eta vs tors. theta energy: -98.476 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: 7, replica: 8 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1369.833643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.833643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.833643 (E_RNA) where: Base-Base interactions energy: -875.641 where: short stacking energy: -389.775 Base-Backbone interact. energy: 7.571 local terms energy: -501.763358 where: bonds (distance) C4'-P energy: -96.213 bonds (distance) P-C4' energy: -118.075 flat angles C4'-P-C4' energy: -111.109 flat angles P-C4'-P energy: -87.259 tors. eta vs tors. theta energy: -89.107 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: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1161.458455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.458455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.458455 (E_RNA) where: Base-Base interactions energy: -735.227 where: short stacking energy: -300.055 Base-Backbone interact. energy: -0.760 local terms energy: -425.471661 where: bonds (distance) C4'-P energy: -87.728 bonds (distance) P-C4' energy: -114.815 flat angles C4'-P-C4' energy: -97.954 flat angles P-C4'-P energy: -74.522 tors. eta vs tors. theta energy: -50.453 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: 9, replica: 3 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -959.522243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.522243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.522243 (E_RNA) where: Base-Base interactions energy: -552.069 where: short stacking energy: -272.686 Base-Backbone interact. energy: -1.133 local terms energy: -406.320698 where: bonds (distance) C4'-P energy: -91.476 bonds (distance) P-C4' energy: -122.865 flat angles C4'-P-C4' energy: -97.872 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -41.536 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: 5 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -830.580790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.580790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.580790 (E_RNA) where: Base-Base interactions energy: -485.895 where: short stacking energy: -257.300 Base-Backbone interact. energy: 2.611 local terms energy: -347.297284 where: bonds (distance) C4'-P energy: -106.249 bonds (distance) P-C4' energy: -100.125 flat angles C4'-P-C4' energy: -93.438 flat angles P-C4'-P energy: -26.225 tors. eta vs tors. theta energy: -21.261 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: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2214.450950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.450950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.450950 (E_RNA) where: Base-Base interactions energy: -1541.397 where: short stacking energy: -618.839 Base-Backbone interact. energy: -4.984 local terms energy: -668.069054 where: bonds (distance) C4'-P energy: -121.832 bonds (distance) P-C4' energy: -119.617 flat angles C4'-P-C4' energy: -149.673 flat angles P-C4'-P energy: -98.520 tors. eta vs tors. theta energy: -178.428 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: 2, replica: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2074.537219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.537219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.537219 (E_RNA) where: Base-Base interactions energy: -1418.167 where: short stacking energy: -618.661 Base-Backbone interact. energy: -2.198 local terms energy: -654.173015 where: bonds (distance) C4'-P energy: -122.194 bonds (distance) P-C4' energy: -125.412 flat angles C4'-P-C4' energy: -133.068 flat angles P-C4'-P energy: -85.531 tors. eta vs tors. theta energy: -187.968 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: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2053.040938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.040938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.040938 (E_RNA) where: Base-Base interactions energy: -1397.303 where: short stacking energy: -612.895 Base-Backbone interact. energy: -1.629 local terms energy: -654.109162 where: bonds (distance) C4'-P energy: -116.143 bonds (distance) P-C4' energy: -120.855 flat angles C4'-P-C4' energy: -137.395 flat angles P-C4'-P energy: -97.335 tors. eta vs tors. theta energy: -182.380 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: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1874.063036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.063036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.063036 (E_RNA) where: Base-Base interactions energy: -1284.249 where: short stacking energy: -531.152 Base-Backbone interact. energy: -3.367 local terms energy: -586.446338 where: bonds (distance) C4'-P energy: -114.532 bonds (distance) P-C4' energy: -115.621 flat angles C4'-P-C4' energy: -129.028 flat angles P-C4'-P energy: -86.753 tors. eta vs tors. theta energy: -140.513 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: 5, replica: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1750.795555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.795555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.795555 (E_RNA) where: Base-Base interactions energy: -1197.308 where: short stacking energy: -534.399 Base-Backbone interact. energy: 0.202 local terms energy: -553.689669 where: bonds (distance) C4'-P energy: -98.653 bonds (distance) P-C4' energy: -99.814 flat angles C4'-P-C4' energy: -122.149 flat angles P-C4'-P energy: -85.346 tors. eta vs tors. theta energy: -147.729 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: 6, replica: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1590.862242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.862242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.862242 (E_RNA) where: Base-Base interactions energy: -1089.250 where: short stacking energy: -456.376 Base-Backbone interact. energy: 3.046 local terms energy: -504.658137 where: bonds (distance) C4'-P energy: -97.856 bonds (distance) P-C4' energy: -92.288 flat angles C4'-P-C4' energy: -114.677 flat angles P-C4'-P energy: -76.652 tors. eta vs tors. theta energy: -123.185 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: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1400.101586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.101586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.101586 (E_RNA) where: Base-Base interactions energy: -888.470 where: short stacking energy: -415.019 Base-Backbone interact. energy: 3.945 local terms energy: -515.576296 where: bonds (distance) C4'-P energy: -99.198 bonds (distance) P-C4' energy: -114.462 flat angles C4'-P-C4' energy: -116.293 flat angles P-C4'-P energy: -79.322 tors. eta vs tors. theta energy: -106.300 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: 2 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1190.897598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.897598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.897598 (E_RNA) where: Base-Base interactions energy: -735.569 where: short stacking energy: -345.567 Base-Backbone interact. energy: -1.175 local terms energy: -454.153399 where: bonds (distance) C4'-P energy: -107.498 bonds (distance) P-C4' energy: -114.645 flat angles C4'-P-C4' energy: -110.373 flat angles P-C4'-P energy: -59.330 tors. eta vs tors. theta energy: -62.307 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: 3 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -980.060962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.060962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.060962 (E_RNA) where: Base-Base interactions energy: -528.865 where: short stacking energy: -244.412 Base-Backbone interact. energy: -2.385 local terms energy: -448.811228 where: bonds (distance) C4'-P energy: -108.783 bonds (distance) P-C4' energy: -120.780 flat angles C4'-P-C4' energy: -107.928 flat angles P-C4'-P energy: -72.562 tors. eta vs tors. theta energy: -38.758 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: 5 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -787.601491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.601491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.601491 (E_RNA) where: Base-Base interactions energy: -395.717 where: short stacking energy: -197.797 Base-Backbone interact. energy: 0.312 local terms energy: -392.196954 where: bonds (distance) C4'-P energy: -81.002 bonds (distance) P-C4' energy: -118.692 flat angles C4'-P-C4' energy: -108.428 flat angles P-C4'-P energy: -69.234 tors. eta vs tors. theta energy: -14.841 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: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2214.347105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.347105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.347105 (E_RNA) where: Base-Base interactions energy: -1539.178 where: short stacking energy: -643.272 Base-Backbone interact. energy: -0.471 local terms energy: -674.698479 where: bonds (distance) C4'-P energy: -122.064 bonds (distance) P-C4' energy: -125.473 flat angles C4'-P-C4' energy: -141.159 flat angles P-C4'-P energy: -100.502 tors. eta vs tors. theta energy: -185.502 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: 222 Temperature: 0.950000 Total energy: -2124.741656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.741656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.741656 (E_RNA) where: Base-Base interactions energy: -1468.334 where: short stacking energy: -630.121 Base-Backbone interact. energy: 0.995 local terms energy: -657.402824 where: bonds (distance) C4'-P energy: -110.202 bonds (distance) P-C4' energy: -119.106 flat angles C4'-P-C4' energy: -144.291 flat angles P-C4'-P energy: -90.867 tors. eta vs tors. theta energy: -192.938 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: 3, replica: 7 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2006.858728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.858728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.858728 (E_RNA) where: Base-Base interactions energy: -1368.996 where: short stacking energy: -604.068 Base-Backbone interact. energy: -3.980 local terms energy: -633.882867 where: bonds (distance) C4'-P energy: -118.560 bonds (distance) P-C4' energy: -114.833 flat angles C4'-P-C4' energy: -127.893 flat angles P-C4'-P energy: -83.959 tors. eta vs tors. theta energy: -188.637 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: 4, replica: 6 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1876.763666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.763666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.763666 (E_RNA) where: Base-Base interactions energy: -1269.441 where: short stacking energy: -564.036 Base-Backbone interact. energy: -4.011 local terms energy: -603.312179 where: bonds (distance) C4'-P energy: -112.114 bonds (distance) P-C4' energy: -117.924 flat angles C4'-P-C4' energy: -126.650 flat angles P-C4'-P energy: -75.186 tors. eta vs tors. theta energy: -171.439 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: 5, replica: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1726.867682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.867682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.867682 (E_RNA) where: Base-Base interactions energy: -1124.460 where: short stacking energy: -500.053 Base-Backbone interact. energy: 1.806 local terms energy: -604.213874 where: bonds (distance) C4'-P energy: -120.340 bonds (distance) P-C4' energy: -129.456 flat angles C4'-P-C4' energy: -134.195 flat angles P-C4'-P energy: -75.637 tors. eta vs tors. theta energy: -144.585 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: 4 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1669.613071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.613071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.613071 (E_RNA) where: Base-Base interactions energy: -1125.237 where: short stacking energy: -484.556 Base-Backbone interact. energy: -1.522 local terms energy: -542.854080 where: bonds (distance) C4'-P energy: -125.540 bonds (distance) P-C4' energy: -105.068 flat angles C4'-P-C4' energy: -113.930 flat angles P-C4'-P energy: -70.829 tors. eta vs tors. theta energy: -127.487 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: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1403.431124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.431124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.431124 (E_RNA) where: Base-Base interactions energy: -902.098 where: short stacking energy: -414.984 Base-Backbone interact. energy: 0.072 local terms energy: -501.405356 where: bonds (distance) C4'-P energy: -116.676 bonds (distance) P-C4' energy: -117.198 flat angles C4'-P-C4' energy: -122.042 flat angles P-C4'-P energy: -58.909 tors. eta vs tors. theta energy: -86.580 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: 2 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1197.748692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.748692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.748692 (E_RNA) where: Base-Base interactions energy: -746.535 where: short stacking energy: -337.202 Base-Backbone interact. energy: 2.419 local terms energy: -453.633178 where: bonds (distance) C4'-P energy: -101.248 bonds (distance) P-C4' energy: -120.514 flat angles C4'-P-C4' energy: -104.054 flat angles P-C4'-P energy: -54.953 tors. eta vs tors. theta energy: -72.864 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: 3 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -966.545265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.545265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.545265 (E_RNA) where: Base-Base interactions energy: -549.293 where: short stacking energy: -263.006 Base-Backbone interact. energy: -2.646 local terms energy: -414.606410 where: bonds (distance) C4'-P energy: -90.868 bonds (distance) P-C4' energy: -110.869 flat angles C4'-P-C4' energy: -94.461 flat angles P-C4'-P energy: -82.051 tors. eta vs tors. theta energy: -36.357 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: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -775.192993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.192993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.192993 (E_RNA) where: Base-Base interactions energy: -441.422 where: short stacking energy: -222.618 Base-Backbone interact. energy: 4.237 local terms energy: -338.007903 where: bonds (distance) C4'-P energy: -85.175 bonds (distance) P-C4' energy: -113.432 flat angles C4'-P-C4' energy: -77.092 flat angles P-C4'-P energy: -48.615 tors. eta vs tors. theta energy: -13.695 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: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2242.605968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.605968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.605968 (E_RNA) where: Base-Base interactions energy: -1574.138 where: short stacking energy: -617.353 Base-Backbone interact. energy: -2.291 local terms energy: -666.176778 where: bonds (distance) C4'-P energy: -135.188 bonds (distance) P-C4' energy: -132.074 flat angles C4'-P-C4' energy: -144.419 flat angles P-C4'-P energy: -84.399 tors. eta vs tors. theta energy: -170.096 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: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2072.661913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.661913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.661913 (E_RNA) where: Base-Base interactions energy: -1405.919 where: short stacking energy: -618.645 Base-Backbone interact. energy: -2.389 local terms energy: -664.353372 where: bonds (distance) C4'-P energy: -128.644 bonds (distance) P-C4' energy: -117.986 flat angles C4'-P-C4' energy: -140.970 flat angles P-C4'-P energy: -89.099 tors. eta vs tors. theta energy: -187.654 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: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2041.370096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.370096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.370096 (E_RNA) where: Base-Base interactions energy: -1416.301 where: short stacking energy: -602.325 Base-Backbone interact. energy: 0.647 local terms energy: -625.716039 where: bonds (distance) C4'-P energy: -116.974 bonds (distance) P-C4' energy: -112.053 flat angles C4'-P-C4' energy: -135.231 flat angles P-C4'-P energy: -83.821 tors. eta vs tors. theta energy: -177.637 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: 4, replica: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1867.101993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.101993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.101993 (E_RNA) where: Base-Base interactions energy: -1265.295 where: short stacking energy: -522.079 Base-Backbone interact. energy: 4.755 local terms energy: -606.561517 where: bonds (distance) C4'-P energy: -121.742 bonds (distance) P-C4' energy: -117.577 flat angles C4'-P-C4' energy: -130.640 flat angles P-C4'-P energy: -86.160 tors. eta vs tors. theta energy: -150.443 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: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1721.525639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.525639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.525639 (E_RNA) where: Base-Base interactions energy: -1176.149 where: short stacking energy: -506.126 Base-Backbone interact. energy: -1.378 local terms energy: -543.998002 where: bonds (distance) C4'-P energy: -99.062 bonds (distance) P-C4' energy: -119.032 flat angles C4'-P-C4' energy: -117.071 flat angles P-C4'-P energy: -77.015 tors. eta vs tors. theta energy: -131.818 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: 6, replica: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1678.292930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.292930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.292930 (E_RNA) where: Base-Base interactions energy: -1148.536 where: short stacking energy: -475.149 Base-Backbone interact. energy: -3.565 local terms energy: -526.191894 where: bonds (distance) C4'-P energy: -99.808 bonds (distance) P-C4' energy: -110.480 flat angles C4'-P-C4' energy: -111.620 flat angles P-C4'-P energy: -70.656 tors. eta vs tors. theta energy: -133.628 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: 8 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1404.478560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.478560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.478560 (E_RNA) where: Base-Base interactions energy: -914.887 where: short stacking energy: -419.275 Base-Backbone interact. energy: -2.811 local terms energy: -486.779944 where: bonds (distance) C4'-P energy: -111.049 bonds (distance) P-C4' energy: -93.039 flat angles C4'-P-C4' energy: -104.165 flat angles P-C4'-P energy: -79.439 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: 8, replica: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1207.290547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.290547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.290547 (E_RNA) where: Base-Base interactions energy: -724.744 where: short stacking energy: -360.895 Base-Backbone interact. energy: -3.040 local terms energy: -479.505752 where: bonds (distance) C4'-P energy: -105.321 bonds (distance) P-C4' energy: -108.291 flat angles C4'-P-C4' energy: -107.324 flat angles P-C4'-P energy: -65.532 tors. eta vs tors. theta energy: -93.038 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: 9, replica: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -922.916814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.916814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.916814 (E_RNA) where: Base-Base interactions energy: -541.868 where: short stacking energy: -283.912 Base-Backbone interact. energy: -2.410 local terms energy: -378.638701 where: bonds (distance) C4'-P energy: -90.962 bonds (distance) P-C4' energy: -92.972 flat angles C4'-P-C4' energy: -102.291 flat angles P-C4'-P energy: -54.492 tors. eta vs tors. theta energy: -37.922 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: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -783.088018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.088018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.088018 (E_RNA) where: Base-Base interactions energy: -408.330 where: short stacking energy: -197.747 Base-Backbone interact. energy: 0.190 local terms energy: -374.947992 where: bonds (distance) C4'-P energy: -113.267 bonds (distance) P-C4' energy: -120.262 flat angles C4'-P-C4' energy: -83.622 flat angles P-C4'-P energy: -52.594 tors. eta vs tors. theta energy: -5.203 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: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2211.244990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.244990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.244990 (E_RNA) where: Base-Base interactions energy: -1571.026 where: short stacking energy: -653.682 Base-Backbone interact. energy: -2.864 local terms energy: -637.354597 where: bonds (distance) C4'-P energy: -116.357 bonds (distance) P-C4' energy: -104.968 flat angles C4'-P-C4' energy: -146.527 flat angles P-C4'-P energy: -88.480 tors. eta vs tors. theta energy: -181.023 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: 2, replica: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2118.828801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.828801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.828801 (E_RNA) where: Base-Base interactions energy: -1468.661 where: short stacking energy: -608.112 Base-Backbone interact. energy: -1.545 local terms energy: -648.623369 where: bonds (distance) C4'-P energy: -127.949 bonds (distance) P-C4' energy: -107.939 flat angles C4'-P-C4' energy: -139.450 flat angles P-C4'-P energy: -92.334 tors. eta vs tors. theta energy: -180.952 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: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2041.456133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.456133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.456133 (E_RNA) where: Base-Base interactions energy: -1382.345 where: short stacking energy: -585.399 Base-Backbone interact. energy: -1.648 local terms energy: -657.462989 where: bonds (distance) C4'-P energy: -118.880 bonds (distance) P-C4' energy: -125.061 flat angles C4'-P-C4' energy: -140.067 flat angles P-C4'-P energy: -100.154 tors. eta vs tors. theta energy: -173.301 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: 4, replica: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1825.337265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.337265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.337265 (E_RNA) where: Base-Base interactions energy: -1255.873 where: short stacking energy: -534.928 Base-Backbone interact. energy: 0.893 local terms energy: -570.356574 where: bonds (distance) C4'-P energy: -102.057 bonds (distance) P-C4' energy: -117.338 flat angles C4'-P-C4' energy: -134.526 flat angles P-C4'-P energy: -81.424 tors. eta vs tors. theta energy: -135.012 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: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1719.596265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.596265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.596265 (E_RNA) where: Base-Base interactions energy: -1169.280 where: short stacking energy: -509.288 Base-Backbone interact. energy: -5.620 local terms energy: -544.696557 where: bonds (distance) C4'-P energy: -109.415 bonds (distance) P-C4' energy: -108.600 flat angles C4'-P-C4' energy: -118.986 flat angles P-C4'-P energy: -72.838 tors. eta vs tors. theta energy: -134.858 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: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1661.687238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.687238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.687238 (E_RNA) where: Base-Base interactions energy: -1128.275 where: short stacking energy: -474.145 Base-Backbone interact. energy: -2.075 local terms energy: -531.337118 where: bonds (distance) C4'-P energy: -88.288 bonds (distance) P-C4' energy: -112.441 flat angles C4'-P-C4' energy: -113.476 flat angles P-C4'-P energy: -86.767 tors. eta vs tors. theta energy: -130.365 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: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1352.751681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.751681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.751681 (E_RNA) where: Base-Base interactions energy: -891.479 where: short stacking energy: -395.375 Base-Backbone interact. energy: -0.771 local terms energy: -460.502212 where: bonds (distance) C4'-P energy: -102.024 bonds (distance) P-C4' energy: -101.072 flat angles C4'-P-C4' energy: -96.705 flat angles P-C4'-P energy: -76.597 tors. eta vs tors. theta energy: -84.103 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: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1222.831744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.831744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.831744 (E_RNA) where: Base-Base interactions energy: -756.358 where: short stacking energy: -337.116 Base-Backbone interact. energy: 0.618 local terms energy: -467.091859 where: bonds (distance) C4'-P energy: -117.042 bonds (distance) P-C4' energy: -115.303 flat angles C4'-P-C4' energy: -107.271 flat angles P-C4'-P energy: -66.364 tors. eta vs tors. theta energy: -61.112 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: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -914.642180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.642180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.642180 (E_RNA) where: Base-Base interactions energy: -528.218 where: short stacking energy: -241.947 Base-Backbone interact. energy: 0.613 local terms energy: -387.037452 where: bonds (distance) C4'-P energy: -99.646 bonds (distance) P-C4' energy: -98.519 flat angles C4'-P-C4' energy: -102.603 flat angles P-C4'-P energy: -64.104 tors. eta vs tors. theta energy: -22.165 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: 10, replica: 5 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -809.918107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.918107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.918107 (E_RNA) where: Base-Base interactions energy: -434.840 where: short stacking energy: -215.767 Base-Backbone interact. energy: 2.935 local terms energy: -378.013080 where: bonds (distance) C4'-P energy: -82.870 bonds (distance) P-C4' energy: -99.457 flat angles C4'-P-C4' energy: -104.139 flat angles P-C4'-P energy: -66.336 tors. eta vs tors. theta energy: -25.211 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: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2238.996744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.996744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.996744 (E_RNA) where: Base-Base interactions energy: -1566.624 where: short stacking energy: -650.773 Base-Backbone interact. energy: -2.600 local terms energy: -669.772487 where: bonds (distance) C4'-P energy: -126.109 bonds (distance) P-C4' energy: -117.690 flat angles C4'-P-C4' energy: -149.190 flat angles P-C4'-P energy: -87.866 tors. eta vs tors. theta energy: -188.918 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: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2121.445292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.445292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.445292 (E_RNA) where: Base-Base interactions energy: -1419.367 where: short stacking energy: -611.707 Base-Backbone interact. energy: -0.135 local terms energy: -701.943311 where: bonds (distance) C4'-P energy: -123.940 bonds (distance) P-C4' energy: -136.597 flat angles C4'-P-C4' energy: -148.091 flat angles P-C4'-P energy: -110.730 tors. eta vs tors. theta energy: -182.585 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: 3, replica: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2026.523778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.523778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.523778 (E_RNA) where: Base-Base interactions energy: -1390.411 where: short stacking energy: -599.686 Base-Backbone interact. energy: -0.837 local terms energy: -635.275288 where: bonds (distance) C4'-P energy: -116.351 bonds (distance) P-C4' energy: -125.107 flat angles C4'-P-C4' energy: -133.418 flat angles P-C4'-P energy: -88.578 tors. eta vs tors. theta energy: -171.821 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: 4, replica: 6 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1879.773158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.773158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.773158 (E_RNA) where: Base-Base interactions energy: -1269.098 where: short stacking energy: -530.890 Base-Backbone interact. energy: -1.720 local terms energy: -608.954790 where: bonds (distance) C4'-P energy: -109.776 bonds (distance) P-C4' energy: -109.359 flat angles C4'-P-C4' energy: -141.175 flat angles P-C4'-P energy: -96.642 tors. eta vs tors. theta energy: -152.003 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: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1752.893053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.893053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.893053 (E_RNA) where: Base-Base interactions energy: -1188.075 where: short stacking energy: -528.447 Base-Backbone interact. energy: -2.375 local terms energy: -562.442441 where: bonds (distance) C4'-P energy: -103.600 bonds (distance) P-C4' energy: -118.033 flat angles C4'-P-C4' energy: -128.884 flat angles P-C4'-P energy: -77.840 tors. eta vs tors. theta energy: -134.085 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: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1703.797961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.797961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.797961 (E_RNA) where: Base-Base interactions energy: -1147.035 where: short stacking energy: -498.017 Base-Backbone interact. energy: -1.928 local terms energy: -554.835165 where: bonds (distance) C4'-P energy: -109.619 bonds (distance) P-C4' energy: -116.501 flat angles C4'-P-C4' energy: -122.212 flat angles P-C4'-P energy: -72.301 tors. eta vs tors. theta energy: -134.202 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: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1371.547360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.547360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.547360 (E_RNA) where: Base-Base interactions energy: -855.704 where: short stacking energy: -420.961 Base-Backbone interact. energy: -0.937 local terms energy: -514.906422 where: bonds (distance) C4'-P energy: -104.272 bonds (distance) P-C4' energy: -104.022 flat angles C4'-P-C4' energy: -112.508 flat angles P-C4'-P energy: -85.253 tors. eta vs tors. theta energy: -108.851 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: 8, replica: 2 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1132.366532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.366532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.366532 (E_RNA) where: Base-Base interactions energy: -707.797 where: short stacking energy: -322.894 Base-Backbone interact. energy: -4.442 local terms energy: -420.127374 where: bonds (distance) C4'-P energy: -104.754 bonds (distance) P-C4' energy: -99.700 flat angles C4'-P-C4' energy: -97.115 flat angles P-C4'-P energy: -61.196 tors. eta vs tors. theta energy: -57.363 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: 9, replica: 3 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -971.083665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.083665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.083665 (E_RNA) where: Base-Base interactions energy: -537.261 where: short stacking energy: -278.131 Base-Backbone interact. energy: 2.567 local terms energy: -436.389250 where: bonds (distance) C4'-P energy: -96.978 bonds (distance) P-C4' energy: -112.642 flat angles C4'-P-C4' energy: -106.182 flat angles P-C4'-P energy: -76.289 tors. eta vs tors. theta energy: -44.299 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: 10, replica: 5 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -805.961598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.961598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.961598 (E_RNA) where: Base-Base interactions energy: -451.787 where: short stacking energy: -218.168 Base-Backbone interact. energy: 0.974 local terms energy: -355.148960 where: bonds (distance) C4'-P energy: -98.039 bonds (distance) P-C4' energy: -89.369 flat angles C4'-P-C4' energy: -99.608 flat angles P-C4'-P energy: -44.287 tors. eta vs tors. theta energy: -23.847 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: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2217.260925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.260925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.260925 (E_RNA) where: Base-Base interactions energy: -1551.942 where: short stacking energy: -599.478 Base-Backbone interact. energy: -2.000 local terms energy: -663.318410 where: bonds (distance) C4'-P energy: -127.480 bonds (distance) P-C4' energy: -109.320 flat angles C4'-P-C4' energy: -141.268 flat angles P-C4'-P energy: -107.682 tors. eta vs tors. theta energy: -177.569 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: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2112.020512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.020512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.020512 (E_RNA) where: Base-Base interactions energy: -1434.836 where: short stacking energy: -629.114 Base-Backbone interact. energy: -3.938 local terms energy: -673.246762 where: bonds (distance) C4'-P energy: -125.066 bonds (distance) P-C4' energy: -137.622 flat angles C4'-P-C4' energy: -139.671 flat angles P-C4'-P energy: -96.089 tors. eta vs tors. theta energy: -174.799 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: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1983.076473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.076473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.076473 (E_RNA) where: Base-Base interactions energy: -1386.687 where: short stacking energy: -570.567 Base-Backbone interact. energy: 1.236 local terms energy: -597.624956 where: bonds (distance) C4'-P energy: -98.297 bonds (distance) P-C4' energy: -121.484 flat angles C4'-P-C4' energy: -132.400 flat angles P-C4'-P energy: -94.421 tors. eta vs tors. theta energy: -151.024 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: 6 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1835.270213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.270213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.270213 (E_RNA) where: Base-Base interactions energy: -1230.906 where: short stacking energy: -534.021 Base-Backbone interact. energy: -2.268 local terms energy: -602.096012 where: bonds (distance) C4'-P energy: -124.847 bonds (distance) P-C4' energy: -113.104 flat angles C4'-P-C4' energy: -124.627 flat angles P-C4'-P energy: -92.932 tors. eta vs tors. theta energy: -146.586 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: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1737.661954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.661954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.661954 (E_RNA) where: Base-Base interactions energy: -1207.138 where: short stacking energy: -464.244 Base-Backbone interact. energy: -0.717 local terms energy: -529.807372 where: bonds (distance) C4'-P energy: -97.117 bonds (distance) P-C4' energy: -109.223 flat angles C4'-P-C4' energy: -125.355 flat angles P-C4'-P energy: -72.776 tors. eta vs tors. theta energy: -125.337 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: 6, replica: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1684.713899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.713899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.713899 (E_RNA) where: Base-Base interactions energy: -1160.978 where: short stacking energy: -474.538 Base-Backbone interact. energy: 1.537 local terms energy: -525.273529 where: bonds (distance) C4'-P energy: -91.600 bonds (distance) P-C4' energy: -111.718 flat angles C4'-P-C4' energy: -125.100 flat angles P-C4'-P energy: -72.466 tors. eta vs tors. theta energy: -124.388 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: 226 Temperature: 1.200000 Total energy: -1337.747985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.747985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.747985 (E_RNA) where: Base-Base interactions energy: -859.498 where: short stacking energy: -399.106 Base-Backbone interact. energy: 5.112 local terms energy: -483.362744 where: bonds (distance) C4'-P energy: -94.246 bonds (distance) P-C4' energy: -111.507 flat angles C4'-P-C4' energy: -117.425 flat angles P-C4'-P energy: -71.073 tors. eta vs tors. theta energy: -89.111 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: 2 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1180.543333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.543333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.543333 (E_RNA) where: Base-Base interactions energy: -736.967 where: short stacking energy: -337.824 Base-Backbone interact. energy: -2.441 local terms energy: -441.135126 where: bonds (distance) C4'-P energy: -104.004 bonds (distance) P-C4' energy: -108.286 flat angles C4'-P-C4' energy: -98.550 flat angles P-C4'-P energy: -72.312 tors. eta vs tors. theta energy: -57.983 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: 9, replica: 3 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -967.261952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.261952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.261952 (E_RNA) where: Base-Base interactions energy: -574.146 where: short stacking energy: -288.548 Base-Backbone interact. energy: 3.970 local terms energy: -397.085277 where: bonds (distance) C4'-P energy: -84.275 bonds (distance) P-C4' energy: -114.077 flat angles C4'-P-C4' energy: -109.182 flat angles P-C4'-P energy: -39.469 tors. eta vs tors. theta energy: -50.083 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: 10, replica: 5 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -749.982712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.982712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.982712 (E_RNA) where: Base-Base interactions energy: -384.480 where: short stacking energy: -186.837 Base-Backbone interact. energy: -1.224 local terms energy: -364.279293 where: bonds (distance) C4'-P energy: -111.422 bonds (distance) P-C4' energy: -120.206 flat angles C4'-P-C4' energy: -65.968 flat angles P-C4'-P energy: -66.399 tors. eta vs tors. theta energy: -0.284 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: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2236.710240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.710240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.710240 (E_RNA) where: Base-Base interactions energy: -1577.950 where: short stacking energy: -638.565 Base-Backbone interact. energy: -2.139 local terms energy: -656.621208 where: bonds (distance) C4'-P energy: -124.459 bonds (distance) P-C4' energy: -119.700 flat angles C4'-P-C4' energy: -141.476 flat angles P-C4'-P energy: -93.111 tors. eta vs tors. theta energy: -177.875 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: 2, replica: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2038.620629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.620629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.620629 (E_RNA) where: Base-Base interactions energy: -1394.622 where: short stacking energy: -605.554 Base-Backbone interact. energy: -3.544 local terms energy: -640.454667 where: bonds (distance) C4'-P energy: -108.177 bonds (distance) P-C4' energy: -125.512 flat angles C4'-P-C4' energy: -134.437 flat angles P-C4'-P energy: -91.745 tors. eta vs tors. theta energy: -180.583 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: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2093.268512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.268512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.268512 (E_RNA) where: Base-Base interactions energy: -1424.188 where: short stacking energy: -626.445 Base-Backbone interact. energy: -4.586 local terms energy: -664.494787 where: bonds (distance) C4'-P energy: -120.720 bonds (distance) P-C4' energy: -119.014 flat angles C4'-P-C4' energy: -147.025 flat angles P-C4'-P energy: -100.481 tors. eta vs tors. theta energy: -177.254 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: 4, replica: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1838.457915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.457915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.457915 (E_RNA) where: Base-Base interactions energy: -1263.206 where: short stacking energy: -516.023 Base-Backbone interact. energy: -0.629 local terms energy: -574.622916 where: bonds (distance) C4'-P energy: -111.707 bonds (distance) P-C4' energy: -109.600 flat angles C4'-P-C4' energy: -129.293 flat angles P-C4'-P energy: -88.728 tors. eta vs tors. theta energy: -135.294 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: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1742.641255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.641255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.641255 (E_RNA) where: Base-Base interactions energy: -1148.569 where: short stacking energy: -476.290 Base-Backbone interact. energy: 0.122 local terms energy: -594.193968 where: bonds (distance) C4'-P energy: -121.114 bonds (distance) P-C4' energy: -134.130 flat angles C4'-P-C4' energy: -125.139 flat angles P-C4'-P energy: -89.154 tors. eta vs tors. theta energy: -124.657 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: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1726.347980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.347980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.347980 (E_RNA) where: Base-Base interactions energy: -1199.334 where: short stacking energy: -501.048 Base-Backbone interact. energy: -2.136 local terms energy: -524.877968 where: bonds (distance) C4'-P energy: -98.426 bonds (distance) P-C4' energy: -101.866 flat angles C4'-P-C4' energy: -119.558 flat angles P-C4'-P energy: -73.589 tors. eta vs tors. theta energy: -131.439 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: 7, replica: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1281.275457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.275457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.275457 (E_RNA) where: Base-Base interactions energy: -835.847 where: short stacking energy: -370.033 Base-Backbone interact. energy: 0.107 local terms energy: -445.535778 where: bonds (distance) C4'-P energy: -81.337 bonds (distance) P-C4' energy: -114.398 flat angles C4'-P-C4' energy: -107.277 flat angles P-C4'-P energy: -69.546 tors. eta vs tors. theta energy: -72.978 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: 2 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1143.438900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.438900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.438900 (E_RNA) where: Base-Base interactions energy: -708.702 where: short stacking energy: -323.188 Base-Backbone interact. energy: 0.244 local terms energy: -434.980713 where: bonds (distance) C4'-P energy: -93.458 bonds (distance) P-C4' energy: -110.612 flat angles C4'-P-C4' energy: -103.831 flat angles P-C4'-P energy: -77.345 tors. eta vs tors. theta energy: -49.735 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: 9, replica: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -988.227055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.227055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.227055 (E_RNA) where: Base-Base interactions energy: -601.077 where: short stacking energy: -295.131 Base-Backbone interact. energy: 0.537 local terms energy: -387.686570 where: bonds (distance) C4'-P energy: -86.204 bonds (distance) P-C4' energy: -108.377 flat angles C4'-P-C4' energy: -99.504 flat angles P-C4'-P energy: -56.844 tors. eta vs tors. theta energy: -36.757 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: 10, replica: 5 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -791.833843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.833843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.833843 (E_RNA) where: Base-Base interactions energy: -470.842 where: short stacking energy: -242.522 Base-Backbone interact. energy: -1.018 local terms energy: -319.973562 where: bonds (distance) C4'-P energy: -86.726 bonds (distance) P-C4' energy: -105.609 flat angles C4'-P-C4' energy: -86.142 flat angles P-C4'-P energy: -34.323 tors. eta vs tors. theta energy: -7.174 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: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2238.954223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.954223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.954223 (E_RNA) where: Base-Base interactions energy: -1570.472 where: short stacking energy: -647.023 Base-Backbone interact. energy: -1.780 local terms energy: -666.702270 where: bonds (distance) C4'-P energy: -115.988 bonds (distance) P-C4' energy: -130.277 flat angles C4'-P-C4' energy: -143.092 flat angles P-C4'-P energy: -93.494 tors. eta vs tors. theta energy: -183.851 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: 2, replica: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2096.745330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.745330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.745330 (E_RNA) where: Base-Base interactions energy: -1436.501 where: short stacking energy: -629.722 Base-Backbone interact. energy: -1.672 local terms energy: -658.571536 where: bonds (distance) C4'-P energy: -127.779 bonds (distance) P-C4' energy: -122.925 flat angles C4'-P-C4' energy: -140.036 flat angles P-C4'-P energy: -85.468 tors. eta vs tors. theta energy: -182.363 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: 3, replica: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2097.140011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.140011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.140011 (E_RNA) where: Base-Base interactions energy: -1433.547 where: short stacking energy: -604.093 Base-Backbone interact. energy: -1.139 local terms energy: -662.453820 where: bonds (distance) C4'-P energy: -120.922 bonds (distance) P-C4' energy: -114.267 flat angles C4'-P-C4' energy: -147.709 flat angles P-C4'-P energy: -99.942 tors. eta vs tors. theta energy: -179.615 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: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1818.901160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.901160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.901160 (E_RNA) where: Base-Base interactions energy: -1253.639 where: short stacking energy: -538.081 Base-Backbone interact. energy: -1.315 local terms energy: -563.947372 where: bonds (distance) C4'-P energy: -99.588 bonds (distance) P-C4' energy: -108.348 flat angles C4'-P-C4' energy: -128.239 flat angles P-C4'-P energy: -80.098 tors. eta vs tors. theta energy: -147.674 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: 5, replica: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1779.464875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.464875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.464875 (E_RNA) where: Base-Base interactions energy: -1222.562 where: short stacking energy: -539.437 Base-Backbone interact. energy: -5.881 local terms energy: -551.022406 where: bonds (distance) C4'-P energy: -101.180 bonds (distance) P-C4' energy: -100.321 flat angles C4'-P-C4' energy: -126.189 flat angles P-C4'-P energy: -76.937 tors. eta vs tors. theta energy: -146.396 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: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1651.337854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.337854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.337854 (E_RNA) where: Base-Base interactions energy: -1108.657 where: short stacking energy: -481.652 Base-Backbone interact. energy: -2.738 local terms energy: -539.942292 where: bonds (distance) C4'-P energy: -105.250 bonds (distance) P-C4' energy: -112.478 flat angles C4'-P-C4' energy: -120.707 flat angles P-C4'-P energy: -70.906 tors. eta vs tors. theta energy: -130.602 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: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1293.174840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.174840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.174840 (E_RNA) where: Base-Base interactions energy: -808.763 where: short stacking energy: -363.833 Base-Backbone interact. energy: -1.160 local terms energy: -483.252108 where: bonds (distance) C4'-P energy: -103.449 bonds (distance) P-C4' energy: -112.699 flat angles C4'-P-C4' energy: -109.908 flat angles P-C4'-P energy: -62.382 tors. eta vs tors. theta energy: -94.814 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: 8, replica: 2 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1112.634170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.634170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.634170 (E_RNA) where: Base-Base interactions energy: -699.916 where: short stacking energy: -324.736 Base-Backbone interact. energy: 1.224 local terms energy: -413.942749 where: bonds (distance) C4'-P energy: -77.659 bonds (distance) P-C4' energy: -114.201 flat angles C4'-P-C4' energy: -116.791 flat angles P-C4'-P energy: -60.463 tors. eta vs tors. theta energy: -44.828 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: 9, replica: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -920.974236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.974236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.974236 (E_RNA) where: Base-Base interactions energy: -525.312 where: short stacking energy: -242.503 Base-Backbone interact. energy: 0.537 local terms energy: -396.198965 where: bonds (distance) C4'-P energy: -106.652 bonds (distance) P-C4' energy: -114.240 flat angles C4'-P-C4' energy: -89.103 flat angles P-C4'-P energy: -53.394 tors. eta vs tors. theta energy: -32.810 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: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -780.849617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.849617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.849617 (E_RNA) where: Base-Base interactions energy: -423.070 where: short stacking energy: -213.223 Base-Backbone interact. energy: 1.522 local terms energy: -359.301641 where: bonds (distance) C4'-P energy: -89.244 bonds (distance) P-C4' energy: -114.076 flat angles C4'-P-C4' energy: -76.043 flat angles P-C4'-P energy: -72.857 tors. eta vs tors. theta energy: -7.081 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: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2240.238622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.238622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.238622 (E_RNA) where: Base-Base interactions energy: -1546.495 where: short stacking energy: -645.844 Base-Backbone interact. energy: -0.878 local terms energy: -692.865731 where: bonds (distance) C4'-P energy: -130.746 bonds (distance) P-C4' energy: -131.028 flat angles C4'-P-C4' energy: -146.795 flat angles P-C4'-P energy: -98.908 tors. eta vs tors. theta energy: -185.388 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: 2, replica: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2113.414035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.414035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.414035 (E_RNA) where: Base-Base interactions energy: -1458.945 where: short stacking energy: -612.558 Base-Backbone interact. energy: -2.925 local terms energy: -651.543702 where: bonds (distance) C4'-P energy: -119.756 bonds (distance) P-C4' energy: -119.343 flat angles C4'-P-C4' energy: -145.543 flat angles P-C4'-P energy: -88.562 tors. eta vs tors. theta energy: -178.340 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: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2083.133524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.133524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.133524 (E_RNA) where: Base-Base interactions energy: -1421.499 where: short stacking energy: -598.183 Base-Backbone interact. energy: 0.471 local terms energy: -662.106357 where: bonds (distance) C4'-P energy: -103.052 bonds (distance) P-C4' energy: -135.166 flat angles C4'-P-C4' energy: -141.033 flat angles P-C4'-P energy: -91.798 tors. eta vs tors. theta energy: -191.057 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: 4, replica: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1811.831104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.831104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.831104 (E_RNA) where: Base-Base interactions energy: -1241.008 where: short stacking energy: -529.884 Base-Backbone interact. energy: -1.839 local terms energy: -568.983962 where: bonds (distance) C4'-P energy: -108.106 bonds (distance) P-C4' energy: -119.171 flat angles C4'-P-C4' energy: -125.899 flat angles P-C4'-P energy: -78.574 tors. eta vs tors. theta energy: -137.234 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: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1769.066759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.066759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.066759 (E_RNA) where: Base-Base interactions energy: -1201.114 where: short stacking energy: -541.103 Base-Backbone interact. energy: 3.412 local terms energy: -571.364377 where: bonds (distance) C4'-P energy: -99.322 bonds (distance) P-C4' energy: -110.181 flat angles C4'-P-C4' energy: -133.256 flat angles P-C4'-P energy: -81.595 tors. eta vs tors. theta energy: -147.010 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: 6, replica: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1648.825538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.825538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.825538 (E_RNA) where: Base-Base interactions energy: -1086.020 where: short stacking energy: -493.441 Base-Backbone interact. energy: -1.388 local terms energy: -561.417525 where: bonds (distance) C4'-P energy: -111.353 bonds (distance) P-C4' energy: -111.606 flat angles C4'-P-C4' energy: -123.799 flat angles P-C4'-P energy: -79.847 tors. eta vs tors. theta energy: -134.813 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: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1333.033090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.033090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.033090 (E_RNA) where: Base-Base interactions energy: -854.404 where: short stacking energy: -400.029 Base-Backbone interact. energy: -2.348 local terms energy: -476.280393 where: bonds (distance) C4'-P energy: -90.674 bonds (distance) P-C4' energy: -112.506 flat angles C4'-P-C4' energy: -123.222 flat angles P-C4'-P energy: -60.680 tors. eta vs tors. theta energy: -89.198 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: 8, replica: 2 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1167.010631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.010631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.010631 (E_RNA) where: Base-Base interactions energy: -717.018 where: short stacking energy: -335.888 Base-Backbone interact. energy: -2.265 local terms energy: -447.727819 where: bonds (distance) C4'-P energy: -103.692 bonds (distance) P-C4' energy: -105.310 flat angles C4'-P-C4' energy: -107.538 flat angles P-C4'-P energy: -72.558 tors. eta vs tors. theta energy: -58.629 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: 3 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -912.656333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.656333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.656333 (E_RNA) where: Base-Base interactions energy: -527.573 where: short stacking energy: -227.924 Base-Backbone interact. energy: -0.132 local terms energy: -384.951932 where: bonds (distance) C4'-P energy: -115.049 bonds (distance) P-C4' energy: -98.843 flat angles C4'-P-C4' energy: -100.058 flat angles P-C4'-P energy: -46.528 tors. eta vs tors. theta energy: -24.473 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: 10, replica: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -857.674096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.674096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.674096 (E_RNA) where: Base-Base interactions energy: -462.196 where: short stacking energy: -249.080 Base-Backbone interact. energy: -1.371 local terms energy: -394.107046 where: bonds (distance) C4'-P energy: -98.149 bonds (distance) P-C4' energy: -97.068 flat angles C4'-P-C4' energy: -104.522 flat angles P-C4'-P energy: -73.351 tors. eta vs tors. theta energy: -21.017 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: 1 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2228.434463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.434463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.434463 (E_RNA) where: Base-Base interactions energy: -1535.104 where: short stacking energy: -641.603 Base-Backbone interact. energy: -1.340 local terms energy: -691.991136 where: bonds (distance) C4'-P energy: -128.461 bonds (distance) P-C4' energy: -128.230 flat angles C4'-P-C4' energy: -145.001 flat angles P-C4'-P energy: -97.555 tors. eta vs tors. theta energy: -192.745 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: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2083.894105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.894105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.894105 (E_RNA) where: Base-Base interactions energy: -1436.582 where: short stacking energy: -604.766 Base-Backbone interact. energy: -1.175 local terms energy: -646.137457 where: bonds (distance) C4'-P energy: -121.654 bonds (distance) P-C4' energy: -124.185 flat angles C4'-P-C4' energy: -133.039 flat angles P-C4'-P energy: -81.926 tors. eta vs tors. theta energy: -185.334 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: 3, replica: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2064.461828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.461828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.461828 (E_RNA) where: Base-Base interactions energy: -1415.292 where: short stacking energy: -611.100 Base-Backbone interact. energy: -0.772 local terms energy: -648.398209 where: bonds (distance) C4'-P energy: -120.869 bonds (distance) P-C4' energy: -128.168 flat angles C4'-P-C4' energy: -144.998 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -167.327 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: 4, replica: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1823.297756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.297756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.297756 (E_RNA) where: Base-Base interactions energy: -1239.966 where: short stacking energy: -511.361 Base-Backbone interact. energy: -1.004 local terms energy: -582.327265 where: bonds (distance) C4'-P energy: -101.676 bonds (distance) P-C4' energy: -120.669 flat angles C4'-P-C4' energy: -129.827 flat angles P-C4'-P energy: -86.759 tors. eta vs tors. theta energy: -143.398 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: 9 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1740.327936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.327936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.327936 (E_RNA) where: Base-Base interactions energy: -1158.301 where: short stacking energy: -521.058 Base-Backbone interact. energy: 3.312 local terms energy: -585.339337 where: bonds (distance) C4'-P energy: -110.187 bonds (distance) P-C4' energy: -118.527 flat angles C4'-P-C4' energy: -142.930 flat angles P-C4'-P energy: -70.902 tors. eta vs tors. theta energy: -142.793 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: 6, replica: 4 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1676.999962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.999962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.999962 (E_RNA) where: Base-Base interactions energy: -1144.108 where: short stacking energy: -477.289 Base-Backbone interact. energy: -3.390 local terms energy: -529.501499 where: bonds (distance) C4'-P energy: -94.752 bonds (distance) P-C4' energy: -101.710 flat angles C4'-P-C4' energy: -114.355 flat angles P-C4'-P energy: -82.644 tors. eta vs tors. theta energy: -136.039 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: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1322.848297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.848297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.848297 (E_RNA) where: Base-Base interactions energy: -855.761 where: short stacking energy: -387.369 Base-Backbone interact. energy: -2.022 local terms energy: -465.065738 where: bonds (distance) C4'-P energy: -98.459 bonds (distance) P-C4' energy: -99.247 flat angles C4'-P-C4' energy: -106.448 flat angles P-C4'-P energy: -71.815 tors. eta vs tors. theta energy: -89.096 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: 2 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1168.692296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.692296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.692296 (E_RNA) where: Base-Base interactions energy: -722.491 where: short stacking energy: -316.764 Base-Backbone interact. energy: 1.755 local terms energy: -447.956668 where: bonds (distance) C4'-P energy: -102.019 bonds (distance) P-C4' energy: -106.939 flat angles C4'-P-C4' energy: -122.771 flat angles P-C4'-P energy: -65.055 tors. eta vs tors. theta energy: -51.173 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: 9, replica: 3 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -933.720884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.720884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.720884 (E_RNA) where: Base-Base interactions energy: -582.158 where: short stacking energy: -262.203 Base-Backbone interact. energy: 4.998 local terms energy: -356.561741 where: bonds (distance) C4'-P energy: -74.967 bonds (distance) P-C4' energy: -113.643 flat angles C4'-P-C4' energy: -93.522 flat angles P-C4'-P energy: -50.126 tors. eta vs tors. theta energy: -24.304 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: 10, replica: 5 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -787.324312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.324312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.324312 (E_RNA) where: Base-Base interactions energy: -417.835 where: short stacking energy: -211.804 Base-Backbone interact. energy: 6.886 local terms energy: -376.375039 where: bonds (distance) C4'-P energy: -88.227 bonds (distance) P-C4' energy: -100.329 flat angles C4'-P-C4' energy: -85.995 flat angles P-C4'-P energy: -76.818 tors. eta vs tors. theta energy: -25.006 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: 1, replica: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2217.374564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.374564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.374564 (E_RNA) where: Base-Base interactions energy: -1538.264 where: short stacking energy: -652.683 Base-Backbone interact. energy: -3.506 local terms energy: -675.604463 where: bonds (distance) C4'-P energy: -122.300 bonds (distance) P-C4' energy: -126.264 flat angles C4'-P-C4' energy: -135.840 flat angles P-C4'-P energy: -99.495 tors. eta vs tors. theta energy: -191.706 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: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2149.481978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.481978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.481978 (E_RNA) where: Base-Base interactions energy: -1465.956 where: short stacking energy: -621.113 Base-Backbone interact. energy: -1.554 local terms energy: -681.971995 where: bonds (distance) C4'-P energy: -126.098 bonds (distance) P-C4' energy: -126.097 flat angles C4'-P-C4' energy: -139.987 flat angles P-C4'-P energy: -102.924 tors. eta vs tors. theta energy: -186.866 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: 3, replica: 7 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2033.989123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.989123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.989123 (E_RNA) where: Base-Base interactions energy: -1387.571 where: short stacking energy: -619.081 Base-Backbone interact. energy: -1.572 local terms energy: -644.846297 where: bonds (distance) C4'-P energy: -103.858 bonds (distance) P-C4' energy: -124.460 flat angles C4'-P-C4' energy: -137.797 flat angles P-C4'-P energy: -94.434 tors. eta vs tors. theta energy: -184.297 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: 4, replica: 6 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1878.967374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.967374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.967374 (E_RNA) where: Base-Base interactions energy: -1291.566 where: short stacking energy: -567.039 Base-Backbone interact. energy: -2.353 local terms energy: -585.047841 where: bonds (distance) C4'-P energy: -98.785 bonds (distance) P-C4' energy: -124.458 flat angles C4'-P-C4' energy: -133.177 flat angles P-C4'-P energy: -77.654 tors. eta vs tors. theta energy: -150.974 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: 5, replica: 9 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1706.081463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.081463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.081463 (E_RNA) where: Base-Base interactions energy: -1140.233 where: short stacking energy: -500.010 Base-Backbone interact. energy: -2.148 local terms energy: -563.700135 where: bonds (distance) C4'-P energy: -111.191 bonds (distance) P-C4' energy: -115.282 flat angles C4'-P-C4' energy: -121.075 flat angles P-C4'-P energy: -81.788 tors. eta vs tors. theta energy: -134.364 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: 6, replica: 4 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1632.103865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.103865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.103865 (E_RNA) where: Base-Base interactions energy: -1078.468 where: short stacking energy: -456.421 Base-Backbone interact. energy: -2.884 local terms energy: -550.752168 where: bonds (distance) C4'-P energy: -112.091 bonds (distance) P-C4' energy: -112.147 flat angles C4'-P-C4' energy: -123.999 flat angles P-C4'-P energy: -71.339 tors. eta vs tors. theta energy: -131.176 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: 8 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1368.051710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.051710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.051710 (E_RNA) where: Base-Base interactions energy: -890.201 where: short stacking energy: -407.138 Base-Backbone interact. energy: -1.470 local terms energy: -476.380976 where: bonds (distance) C4'-P energy: -100.410 bonds (distance) P-C4' energy: -108.264 flat angles C4'-P-C4' energy: -107.587 flat angles P-C4'-P energy: -69.462 tors. eta vs tors. theta energy: -90.656 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: 8, replica: 2 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1167.108851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.108851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.108851 (E_RNA) where: Base-Base interactions energy: -735.675 where: short stacking energy: -338.220 Base-Backbone interact. energy: -1.059 local terms energy: -430.374916 where: bonds (distance) C4'-P energy: -88.533 bonds (distance) P-C4' energy: -111.728 flat angles C4'-P-C4' energy: -97.569 flat angles P-C4'-P energy: -58.710 tors. eta vs tors. theta energy: -73.834 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: 9, replica: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -931.521055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.521055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.521055 (E_RNA) where: Base-Base interactions energy: -559.702 where: short stacking energy: -258.421 Base-Backbone interact. energy: 2.425 local terms energy: -374.243192 where: bonds (distance) C4'-P energy: -105.116 bonds (distance) P-C4' energy: -96.250 flat angles C4'-P-C4' energy: -85.696 flat angles P-C4'-P energy: -55.792 tors. eta vs tors. theta energy: -31.389 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: 10, replica: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -803.711303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.711303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.711303 (E_RNA) where: Base-Base interactions energy: -464.529 where: short stacking energy: -238.611 Base-Backbone interact. energy: 3.424 local terms energy: -342.606080 where: bonds (distance) C4'-P energy: -87.981 bonds (distance) P-C4' energy: -111.183 flat angles C4'-P-C4' energy: -95.731 flat angles P-C4'-P energy: -35.970 tors. eta vs tors. theta energy: -11.741 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: 1, replica: 1 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2220.410687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.410687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.410687 (E_RNA) where: Base-Base interactions energy: -1560.105 where: short stacking energy: -645.032 Base-Backbone interact. energy: 1.719 local terms energy: -662.024012 where: bonds (distance) C4'-P energy: -122.381 bonds (distance) P-C4' energy: -133.166 flat angles C4'-P-C4' energy: -132.966 flat angles P-C4'-P energy: -93.660 tors. eta vs tors. theta energy: -179.851 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: 2, replica: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2107.672099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.672099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.672099 (E_RNA) where: Base-Base interactions energy: -1456.196 where: short stacking energy: -625.335 Base-Backbone interact. energy: -3.306 local terms energy: -648.169906 where: bonds (distance) C4'-P energy: -107.185 bonds (distance) P-C4' energy: -120.546 flat angles C4'-P-C4' energy: -134.463 flat angles P-C4'-P energy: -100.177 tors. eta vs tors. theta energy: -185.799 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: 7 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2040.058663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.058663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.058663 (E_RNA) where: Base-Base interactions energy: -1429.690 where: short stacking energy: -623.315 Base-Backbone interact. energy: -2.338 local terms energy: -608.030808 where: bonds (distance) C4'-P energy: -115.106 bonds (distance) P-C4' energy: -110.956 flat angles C4'-P-C4' energy: -138.091 flat angles P-C4'-P energy: -70.855 tors. eta vs tors. theta energy: -173.023 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: 6 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1871.695319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.695319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.695319 (E_RNA) where: Base-Base interactions energy: -1286.597 where: short stacking energy: -543.849 Base-Backbone interact. energy: -2.046 local terms energy: -583.051612 where: bonds (distance) C4'-P energy: -115.779 bonds (distance) P-C4' energy: -121.792 flat angles C4'-P-C4' energy: -115.919 flat angles P-C4'-P energy: -79.900 tors. eta vs tors. theta energy: -149.662 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: 5, replica: 9 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1684.409475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.409475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.409475 (E_RNA) where: Base-Base interactions energy: -1125.698 where: short stacking energy: -511.361 Base-Backbone interact. energy: -4.062 local terms energy: -554.649537 where: bonds (distance) C4'-P energy: -96.452 bonds (distance) P-C4' energy: -119.095 flat angles C4'-P-C4' energy: -116.074 flat angles P-C4'-P energy: -85.771 tors. eta vs tors. theta energy: -137.257 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: 6, replica: 4 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1575.597550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.597550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.597550 (E_RNA) where: Base-Base interactions energy: -1054.938 where: short stacking energy: -458.761 Base-Backbone interact. energy: -0.409 local terms energy: -520.250660 where: bonds (distance) C4'-P energy: -112.593 bonds (distance) P-C4' energy: -113.216 flat angles C4'-P-C4' energy: -97.951 flat angles P-C4'-P energy: -72.326 tors. eta vs tors. theta energy: -124.165 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: 8 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1377.959580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.959580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.959580 (E_RNA) where: Base-Base interactions energy: -891.850 where: short stacking energy: -421.174 Base-Backbone interact. energy: 4.466 local terms energy: -490.575695 where: bonds (distance) C4'-P energy: -79.741 bonds (distance) P-C4' energy: -109.391 flat angles C4'-P-C4' energy: -120.990 flat angles P-C4'-P energy: -77.324 tors. eta vs tors. theta energy: -103.128 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: 8, replica: 2 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1185.016050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.016050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.016050 (E_RNA) where: Base-Base interactions energy: -730.020 where: short stacking energy: -329.213 Base-Backbone interact. energy: -1.902 local terms energy: -453.094778 where: bonds (distance) C4'-P energy: -81.134 bonds (distance) P-C4' energy: -108.219 flat angles C4'-P-C4' energy: -120.755 flat angles P-C4'-P energy: -70.974 tors. eta vs tors. theta energy: -72.012 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: 9, replica: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -919.233168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.233168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.233168 (E_RNA) where: Base-Base interactions energy: -501.519 where: short stacking energy: -239.021 Base-Backbone interact. energy: -3.602 local terms energy: -414.112469 where: bonds (distance) C4'-P energy: -104.376 bonds (distance) P-C4' energy: -125.607 flat angles C4'-P-C4' energy: -88.875 flat angles P-C4'-P energy: -67.236 tors. eta vs tors. theta energy: -28.019 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: 5 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -806.009980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.009980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.009980 (E_RNA) where: Base-Base interactions energy: -472.867 where: short stacking energy: -258.185 Base-Backbone interact. energy: 0.441 local terms energy: -333.584496 where: bonds (distance) C4'-P energy: -84.242 bonds (distance) P-C4' energy: -99.927 flat angles C4'-P-C4' energy: -89.222 flat angles P-C4'-P energy: -36.577 tors. eta vs tors. theta energy: -23.617 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: 1, replica: 1 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2238.403326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.403326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.403326 (E_RNA) where: Base-Base interactions energy: -1567.693 where: short stacking energy: -636.657 Base-Backbone interact. energy: 0.964 local terms energy: -671.674209 where: bonds (distance) C4'-P energy: -121.016 bonds (distance) P-C4' energy: -136.570 flat angles C4'-P-C4' energy: -142.764 flat angles P-C4'-P energy: -87.074 tors. eta vs tors. theta energy: -184.250 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: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2133.262729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.262729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.262729 (E_RNA) where: Base-Base interactions energy: -1441.721 where: short stacking energy: -615.526 Base-Backbone interact. energy: -3.485 local terms energy: -688.056830 where: bonds (distance) C4'-P energy: -128.125 bonds (distance) P-C4' energy: -131.145 flat angles C4'-P-C4' energy: -148.652 flat angles P-C4'-P energy: -92.526 tors. eta vs tors. theta energy: -187.608 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: 7 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2056.761061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.761061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.761061 (E_RNA) where: Base-Base interactions energy: -1395.510 where: short stacking energy: -623.582 Base-Backbone interact. energy: -2.976 local terms energy: -658.275506 where: bonds (distance) C4'-P energy: -119.000 bonds (distance) P-C4' energy: -117.661 flat angles C4'-P-C4' energy: -138.575 flat angles P-C4'-P energy: -105.555 tors. eta vs tors. theta energy: -177.485 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: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1842.331437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.331437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.331437 (E_RNA) where: Base-Base interactions energy: -1254.640 where: short stacking energy: -525.255 Base-Backbone interact. energy: 0.549 local terms energy: -588.240474 where: bonds (distance) C4'-P energy: -123.550 bonds (distance) P-C4' energy: -111.333 flat angles C4'-P-C4' energy: -135.022 flat angles P-C4'-P energy: -86.461 tors. eta vs tors. theta energy: -131.874 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: 9 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1700.994746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.994746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.994746 (E_RNA) where: Base-Base interactions energy: -1157.593 where: short stacking energy: -520.422 Base-Backbone interact. energy: 2.509 local terms energy: -545.910618 where: bonds (distance) C4'-P energy: -94.463 bonds (distance) P-C4' energy: -109.143 flat angles C4'-P-C4' energy: -128.249 flat angles P-C4'-P energy: -86.019 tors. eta vs tors. theta energy: -128.036 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: 4 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1577.195388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.195388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.195388 (E_RNA) where: Base-Base interactions energy: -1046.276 where: short stacking energy: -475.056 Base-Backbone interact. energy: 6.076 local terms energy: -536.994932 where: bonds (distance) C4'-P energy: -100.458 bonds (distance) P-C4' energy: -118.807 flat angles C4'-P-C4' energy: -114.558 flat angles P-C4'-P energy: -68.662 tors. eta vs tors. theta energy: -134.511 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: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1356.102463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.102463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.102463 (E_RNA) where: Base-Base interactions energy: -880.478 where: short stacking energy: -396.668 Base-Backbone interact. energy: -2.113 local terms energy: -473.511352 where: bonds (distance) C4'-P energy: -80.208 bonds (distance) P-C4' energy: -109.879 flat angles C4'-P-C4' energy: -103.012 flat angles P-C4'-P energy: -74.669 tors. eta vs tors. theta energy: -105.745 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: 2 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1240.511804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.511804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.511804 (E_RNA) where: Base-Base interactions energy: -786.364 where: short stacking energy: -369.885 Base-Backbone interact. energy: 1.213 local terms energy: -455.361137 where: bonds (distance) C4'-P energy: -95.821 bonds (distance) P-C4' energy: -111.301 flat angles C4'-P-C4' energy: -107.998 flat angles P-C4'-P energy: -60.297 tors. eta vs tors. theta energy: -79.943 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: 9, replica: 3 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -965.694677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.694677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.694677 (E_RNA) where: Base-Base interactions energy: -584.308 where: short stacking energy: -276.588 Base-Backbone interact. energy: -0.513 local terms energy: -380.873434 where: bonds (distance) C4'-P energy: -98.560 bonds (distance) P-C4' energy: -106.711 flat angles C4'-P-C4' energy: -103.394 flat angles P-C4'-P energy: -49.030 tors. eta vs tors. theta energy: -23.179 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: 10, replica: 5 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -802.905459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.905459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.905459 (E_RNA) where: Base-Base interactions energy: -434.265 where: short stacking energy: -216.933 Base-Backbone interact. energy: 3.526 local terms energy: -372.166859 where: bonds (distance) C4'-P energy: -79.939 bonds (distance) P-C4' energy: -111.147 flat angles C4'-P-C4' energy: -100.639 flat angles P-C4'-P energy: -61.155 tors. eta vs tors. theta energy: -19.287 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: 1, replica: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2220.780343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.780343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.780343 (E_RNA) where: Base-Base interactions energy: -1552.388 where: short stacking energy: -620.921 Base-Backbone interact. energy: -3.858 local terms energy: -664.534333 where: bonds (distance) C4'-P energy: -121.957 bonds (distance) P-C4' energy: -124.335 flat angles C4'-P-C4' energy: -146.729 flat angles P-C4'-P energy: -89.500 tors. eta vs tors. theta energy: -182.013 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: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2137.870061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.870061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.870061 (E_RNA) where: Base-Base interactions energy: -1469.543 where: short stacking energy: -652.454 Base-Backbone interact. energy: -3.127 local terms energy: -665.200298 where: bonds (distance) C4'-P energy: -119.728 bonds (distance) P-C4' energy: -116.423 flat angles C4'-P-C4' energy: -144.452 flat angles P-C4'-P energy: -90.747 tors. eta vs tors. theta energy: -193.849 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: 7 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2042.780124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.780124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.780124 (E_RNA) where: Base-Base interactions energy: -1399.142 where: short stacking energy: -594.094 Base-Backbone interact. energy: -5.671 local terms energy: -637.967016 where: bonds (distance) C4'-P energy: -110.364 bonds (distance) P-C4' energy: -127.845 flat angles C4'-P-C4' energy: -143.821 flat angles P-C4'-P energy: -76.224 tors. eta vs tors. theta energy: -179.713 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: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1800.466517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.466517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.466517 (E_RNA) where: Base-Base interactions energy: -1231.165 where: short stacking energy: -532.404 Base-Backbone interact. energy: -2.336 local terms energy: -566.966315 where: bonds (distance) C4'-P energy: -105.107 bonds (distance) P-C4' energy: -105.513 flat angles C4'-P-C4' energy: -129.640 flat angles P-C4'-P energy: -90.810 tors. eta vs tors. theta energy: -135.897 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: 5, replica: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1727.735872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.735872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.735872 (E_RNA) where: Base-Base interactions energy: -1144.504 where: short stacking energy: -523.603 Base-Backbone interact. energy: -3.650 local terms energy: -579.582244 where: bonds (distance) C4'-P energy: -113.697 bonds (distance) P-C4' energy: -117.585 flat angles C4'-P-C4' energy: -116.760 flat angles P-C4'-P energy: -88.515 tors. eta vs tors. theta energy: -143.025 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: 6, replica: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1658.599425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.599425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.599425 (E_RNA) where: Base-Base interactions energy: -1133.864 where: short stacking energy: -485.917 Base-Backbone interact. energy: -2.058 local terms energy: -522.677686 where: bonds (distance) C4'-P energy: -99.659 bonds (distance) P-C4' energy: -95.399 flat angles C4'-P-C4' energy: -118.787 flat angles P-C4'-P energy: -69.958 tors. eta vs tors. theta energy: -138.875 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: 7, replica: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1352.294024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.294024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.294024 (E_RNA) where: Base-Base interactions energy: -852.885 where: short stacking energy: -389.427 Base-Backbone interact. energy: 0.369 local terms energy: -499.777396 where: bonds (distance) C4'-P energy: -98.421 bonds (distance) P-C4' energy: -118.479 flat angles C4'-P-C4' energy: -114.605 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -99.152 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: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1185.870440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.870440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.870440 (E_RNA) where: Base-Base interactions energy: -742.855 where: short stacking energy: -330.353 Base-Backbone interact. energy: 3.285 local terms energy: -446.300564 where: bonds (distance) C4'-P energy: -112.488 bonds (distance) P-C4' energy: -110.256 flat angles C4'-P-C4' energy: -110.072 flat angles P-C4'-P energy: -60.368 tors. eta vs tors. theta energy: -53.118 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: 9, replica: 3 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -964.333024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.333024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.333024 (E_RNA) where: Base-Base interactions energy: -557.919 where: short stacking energy: -263.233 Base-Backbone interact. energy: 0.516 local terms energy: -406.929969 where: bonds (distance) C4'-P energy: -95.011 bonds (distance) P-C4' energy: -119.058 flat angles C4'-P-C4' energy: -100.849 flat angles P-C4'-P energy: -54.064 tors. eta vs tors. theta energy: -37.948 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: 10, replica: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -870.853669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.853669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.853669 (E_RNA) where: Base-Base interactions energy: -500.060 where: short stacking energy: -235.940 Base-Backbone interact. energy: -3.195 local terms energy: -367.598136 where: bonds (distance) C4'-P energy: -102.115 bonds (distance) P-C4' energy: -102.833 flat angles C4'-P-C4' energy: -93.177 flat angles P-C4'-P energy: -45.355 tors. eta vs tors. theta energy: -24.118 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: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2200.032381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.032381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.032381 (E_RNA) where: Base-Base interactions energy: -1537.347 where: short stacking energy: -630.083 Base-Backbone interact. energy: -3.468 local terms energy: -659.217034 where: bonds (distance) C4'-P energy: -122.965 bonds (distance) P-C4' energy: -126.887 flat angles C4'-P-C4' energy: -137.189 flat angles P-C4'-P energy: -89.120 tors. eta vs tors. theta energy: -183.056 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: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2131.873570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.873570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.873570 (E_RNA) where: Base-Base interactions energy: -1476.579 where: short stacking energy: -643.470 Base-Backbone interact. energy: -0.846 local terms energy: -654.448353 where: bonds (distance) C4'-P energy: -117.333 bonds (distance) P-C4' energy: -122.190 flat angles C4'-P-C4' energy: -134.459 flat angles P-C4'-P energy: -91.471 tors. eta vs tors. theta energy: -188.995 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: 3, replica: 7 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2035.691663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.691663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.691663 (E_RNA) where: Base-Base interactions energy: -1390.760 where: short stacking energy: -598.717 Base-Backbone interact. energy: -1.586 local terms energy: -643.346498 where: bonds (distance) C4'-P energy: -122.623 bonds (distance) P-C4' energy: -116.567 flat angles C4'-P-C4' energy: -130.769 flat angles P-C4'-P energy: -92.479 tors. eta vs tors. theta energy: -180.909 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: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1876.309240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.309240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.309240 (E_RNA) where: Base-Base interactions energy: -1270.234 where: short stacking energy: -519.909 Base-Backbone interact. energy: -0.947 local terms energy: -605.128568 where: bonds (distance) C4'-P energy: -116.178 bonds (distance) P-C4' energy: -128.986 flat angles C4'-P-C4' energy: -135.694 flat angles P-C4'-P energy: -76.619 tors. eta vs tors. theta energy: -147.651 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: 5, replica: 9 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1690.553145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.553145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.553145 (E_RNA) where: Base-Base interactions energy: -1123.242 where: short stacking energy: -511.457 Base-Backbone interact. energy: -1.657 local terms energy: -565.654622 where: bonds (distance) C4'-P energy: -101.630 bonds (distance) P-C4' energy: -111.658 flat angles C4'-P-C4' energy: -129.031 flat angles P-C4'-P energy: -90.239 tors. eta vs tors. theta energy: -133.097 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: 6, replica: 4 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1668.600249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.600249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.600249 (E_RNA) where: Base-Base interactions energy: -1106.262 where: short stacking energy: -490.949 Base-Backbone interact. energy: 4.322 local terms energy: -566.659816 where: bonds (distance) C4'-P energy: -121.950 bonds (distance) P-C4' energy: -114.600 flat angles C4'-P-C4' energy: -115.578 flat angles P-C4'-P energy: -76.444 tors. eta vs tors. theta energy: -138.088 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: 8 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1300.421617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.421617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.421617 (E_RNA) where: Base-Base interactions energy: -835.088 where: short stacking energy: -390.362 Base-Backbone interact. energy: -1.895 local terms energy: -463.438560 where: bonds (distance) C4'-P energy: -97.822 bonds (distance) P-C4' energy: -104.565 flat angles C4'-P-C4' energy: -94.173 flat angles P-C4'-P energy: -70.866 tors. eta vs tors. theta energy: -96.012 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: 8, replica: 2 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1240.522500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.522500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.522500 (E_RNA) where: Base-Base interactions energy: -812.317 where: short stacking energy: -346.578 Base-Backbone interact. energy: 5.176 local terms energy: -433.381688 where: bonds (distance) C4'-P energy: -95.305 bonds (distance) P-C4' energy: -105.123 flat angles C4'-P-C4' energy: -105.942 flat angles P-C4'-P energy: -58.974 tors. eta vs tors. theta energy: -68.038 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: 9, replica: 3 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -920.870029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.870029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.870029 (E_RNA) where: Base-Base interactions energy: -521.017 where: short stacking energy: -260.434 Base-Backbone interact. energy: -1.509 local terms energy: -398.344448 where: bonds (distance) C4'-P energy: -113.253 bonds (distance) P-C4' energy: -99.930 flat angles C4'-P-C4' energy: -98.420 flat angles P-C4'-P energy: -55.775 tors. eta vs tors. theta energy: -30.966 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: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -899.124644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.124644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.124644 (E_RNA) where: Base-Base interactions energy: -527.566 where: short stacking energy: -246.982 Base-Backbone interact. energy: -3.180 local terms energy: -368.378358 where: bonds (distance) C4'-P energy: -88.814 bonds (distance) P-C4' energy: -89.706 flat angles C4'-P-C4' energy: -93.116 flat angles P-C4'-P energy: -68.342 tors. eta vs tors. theta energy: -28.400 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: 1, replica: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2202.469235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.469235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.469235 (E_RNA) where: Base-Base interactions energy: -1540.390 where: short stacking energy: -620.500 Base-Backbone interact. energy: 0.063 local terms energy: -662.142249 where: bonds (distance) C4'-P energy: -131.023 bonds (distance) P-C4' energy: -133.114 flat angles C4'-P-C4' energy: -132.715 flat angles P-C4'-P energy: -87.228 tors. eta vs tors. theta energy: -178.062 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: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2115.500311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.500311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.500311 (E_RNA) where: Base-Base interactions energy: -1448.896 where: short stacking energy: -630.640 Base-Backbone interact. energy: 0.147 local terms energy: -666.751309 where: bonds (distance) C4'-P energy: -119.613 bonds (distance) P-C4' energy: -126.268 flat angles C4'-P-C4' energy: -130.830 flat angles P-C4'-P energy: -105.133 tors. eta vs tors. theta energy: -184.908 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: 3, replica: 7 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2071.958009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.958009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.958009 (E_RNA) where: Base-Base interactions energy: -1419.952 where: short stacking energy: -617.223 Base-Backbone interact. energy: -2.957 local terms energy: -649.049116 where: bonds (distance) C4'-P energy: -109.274 bonds (distance) P-C4' energy: -104.906 flat angles C4'-P-C4' energy: -146.983 flat angles P-C4'-P energy: -89.695 tors. eta vs tors. theta energy: -198.191 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: 4, replica: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1825.869605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.869605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.869605 (E_RNA) where: Base-Base interactions energy: -1263.146 where: short stacking energy: -513.134 Base-Backbone interact. energy: -4.062 local terms energy: -558.661816 where: bonds (distance) C4'-P energy: -108.844 bonds (distance) P-C4' energy: -106.232 flat angles C4'-P-C4' energy: -123.153 flat angles P-C4'-P energy: -87.677 tors. eta vs tors. theta energy: -132.756 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: 5, replica: 9 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1676.467398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.467398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.467398 (E_RNA) where: Base-Base interactions energy: -1114.350 where: short stacking energy: -510.026 Base-Backbone interact. energy: -3.351 local terms energy: -558.767150 where: bonds (distance) C4'-P energy: -104.014 bonds (distance) P-C4' energy: -125.036 flat angles C4'-P-C4' energy: -114.236 flat angles P-C4'-P energy: -81.772 tors. eta vs tors. theta energy: -133.709 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: 6, replica: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1645.753587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.753587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.753587 (E_RNA) where: Base-Base interactions energy: -1095.707 where: short stacking energy: -498.559 Base-Backbone interact. energy: 0.722 local terms energy: -550.768444 where: bonds (distance) C4'-P energy: -100.934 bonds (distance) P-C4' energy: -106.937 flat angles C4'-P-C4' energy: -110.932 flat angles P-C4'-P energy: -86.784 tors. eta vs tors. theta energy: -145.182 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: 7, replica: 2 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1383.692244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.692244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.692244 (E_RNA) where: Base-Base interactions energy: -898.903 where: short stacking energy: -371.626 Base-Backbone interact. energy: -0.623 local terms energy: -484.166422 where: bonds (distance) C4'-P energy: -96.262 bonds (distance) P-C4' energy: -126.893 flat angles C4'-P-C4' energy: -118.259 flat angles P-C4'-P energy: -61.661 tors. eta vs tors. theta energy: -81.092 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: 8 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1208.170065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.170065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.170065 (E_RNA) where: Base-Base interactions energy: -751.366 where: short stacking energy: -344.663 Base-Backbone interact. energy: -1.218 local terms energy: -455.585957 where: bonds (distance) C4'-P energy: -97.172 bonds (distance) P-C4' energy: -105.492 flat angles C4'-P-C4' energy: -113.856 flat angles P-C4'-P energy: -63.112 tors. eta vs tors. theta energy: -75.954 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: 9, replica: 3 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -922.505827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.505827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.505827 (E_RNA) where: Base-Base interactions energy: -546.789 where: short stacking energy: -258.991 Base-Backbone interact. energy: -0.221 local terms energy: -375.495632 where: bonds (distance) C4'-P energy: -110.790 bonds (distance) P-C4' energy: -87.671 flat angles C4'-P-C4' energy: -90.194 flat angles P-C4'-P energy: -60.300 tors. eta vs tors. theta energy: -26.541 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: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -832.708801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.708801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.708801 (E_RNA) where: Base-Base interactions energy: -476.633 where: short stacking energy: -229.379 Base-Backbone interact. energy: -2.356 local terms energy: -353.720287 where: bonds (distance) C4'-P energy: -96.250 bonds (distance) P-C4' energy: -104.795 flat angles C4'-P-C4' energy: -100.079 flat angles P-C4'-P energy: -30.430 tors. eta vs tors. theta energy: -22.167 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: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2205.925239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.925239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.925239 (E_RNA) where: Base-Base interactions energy: -1544.155 where: short stacking energy: -624.337 Base-Backbone interact. energy: -2.463 local terms energy: -659.307385 where: bonds (distance) C4'-P energy: -118.937 bonds (distance) P-C4' energy: -123.677 flat angles C4'-P-C4' energy: -142.004 flat angles P-C4'-P energy: -94.508 tors. eta vs tors. theta energy: -180.181 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: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2100.559726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.559726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.559726 (E_RNA) where: Base-Base interactions energy: -1443.031 where: short stacking energy: -627.315 Base-Backbone interact. energy: 1.244 local terms energy: -658.772501 where: bonds (distance) C4'-P energy: -128.784 bonds (distance) P-C4' energy: -125.062 flat angles C4'-P-C4' energy: -136.980 flat angles P-C4'-P energy: -87.624 tors. eta vs tors. theta energy: -180.322 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: 3, replica: 7 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2080.350420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.350420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.350420 (E_RNA) where: Base-Base interactions energy: -1425.744 where: short stacking energy: -598.582 Base-Backbone interact. energy: -1.904 local terms energy: -652.702076 where: bonds (distance) C4'-P energy: -118.026 bonds (distance) P-C4' energy: -119.307 flat angles C4'-P-C4' energy: -141.277 flat angles P-C4'-P energy: -94.056 tors. eta vs tors. theta energy: -180.036 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: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1856.347688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.347688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.347688 (E_RNA) where: Base-Base interactions energy: -1256.481 where: short stacking energy: -521.733 Base-Backbone interact. energy: -0.369 local terms energy: -599.497654 where: bonds (distance) C4'-P energy: -111.879 bonds (distance) P-C4' energy: -114.760 flat angles C4'-P-C4' energy: -128.758 flat angles P-C4'-P energy: -89.703 tors. eta vs tors. theta energy: -154.397 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: 5, replica: 9 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1719.702952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.702952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.702952 (E_RNA) where: Base-Base interactions energy: -1149.341 where: short stacking energy: -497.738 Base-Backbone interact. energy: -0.655 local terms energy: -569.707066 where: bonds (distance) C4'-P energy: -105.268 bonds (distance) P-C4' energy: -130.455 flat angles C4'-P-C4' energy: -116.278 flat angles P-C4'-P energy: -79.412 tors. eta vs tors. theta energy: -138.293 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: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1590.394758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.394758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.394758 (E_RNA) where: Base-Base interactions energy: -1073.706 where: short stacking energy: -464.390 Base-Backbone interact. energy: -2.650 local terms energy: -514.038831 where: bonds (distance) C4'-P energy: -96.042 bonds (distance) P-C4' energy: -110.006 flat angles C4'-P-C4' energy: -117.858 flat angles P-C4'-P energy: -67.627 tors. eta vs tors. theta energy: -122.506 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: 7, replica: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1376.637213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.637213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.637213 (E_RNA) where: Base-Base interactions energy: -899.346 where: short stacking energy: -398.880 Base-Backbone interact. energy: -0.773 local terms energy: -476.517853 where: bonds (distance) C4'-P energy: -97.584 bonds (distance) P-C4' energy: -117.237 flat angles C4'-P-C4' energy: -123.954 flat angles P-C4'-P energy: -49.618 tors. eta vs tors. theta energy: -88.125 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: 237 Temperature: 1.250000 Total energy: -1194.386973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.386973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.386973 (E_RNA) where: Base-Base interactions energy: -746.579 where: short stacking energy: -364.253 Base-Backbone interact. energy: -1.191 local terms energy: -446.617518 where: bonds (distance) C4'-P energy: -98.479 bonds (distance) P-C4' energy: -106.288 flat angles C4'-P-C4' energy: -114.005 flat angles P-C4'-P energy: -61.955 tors. eta vs tors. theta energy: -65.890 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: 9, replica: 3 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -904.115975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.115975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.115975 (E_RNA) where: Base-Base interactions energy: -577.287 where: short stacking energy: -271.742 Base-Backbone interact. energy: 4.348 local terms energy: -331.177397 where: bonds (distance) C4'-P energy: -105.145 bonds (distance) P-C4' energy: -90.212 flat angles C4'-P-C4' energy: -78.238 flat angles P-C4'-P energy: -44.488 tors. eta vs tors. theta energy: -13.095 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: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -794.089909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.089909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.089909 (E_RNA) where: Base-Base interactions energy: -435.244 where: short stacking energy: -214.705 Base-Backbone interact. energy: -1.651 local terms energy: -357.194971 where: bonds (distance) C4'-P energy: -87.494 bonds (distance) P-C4' energy: -98.995 flat angles C4'-P-C4' energy: -113.447 flat angles P-C4'-P energy: -33.397 tors. eta vs tors. theta energy: -23.861 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: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2221.457519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.457519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.457519 (E_RNA) where: Base-Base interactions energy: -1558.361 where: short stacking energy: -644.991 Base-Backbone interact. energy: -2.183 local terms energy: -660.914067 where: bonds (distance) C4'-P energy: -109.229 bonds (distance) P-C4' energy: -122.870 flat angles C4'-P-C4' energy: -144.644 flat angles P-C4'-P energy: -98.355 tors. eta vs tors. theta energy: -185.815 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: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2103.250218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.250218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.250218 (E_RNA) where: Base-Base interactions energy: -1428.342 where: short stacking energy: -600.538 Base-Backbone interact. energy: -5.455 local terms energy: -669.453138 where: bonds (distance) C4'-P energy: -129.311 bonds (distance) P-C4' energy: -127.620 flat angles C4'-P-C4' energy: -146.770 flat angles P-C4'-P energy: -93.679 tors. eta vs tors. theta energy: -172.073 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: 3, replica: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2042.561292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.561292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.561292 (E_RNA) where: Base-Base interactions energy: -1414.807 where: short stacking energy: -597.334 Base-Backbone interact. energy: -0.772 local terms energy: -626.981860 where: bonds (distance) C4'-P energy: -112.362 bonds (distance) P-C4' energy: -116.446 flat angles C4'-P-C4' energy: -130.374 flat angles P-C4'-P energy: -96.810 tors. eta vs tors. theta energy: -170.990 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: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1767.506403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.506403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.506403 (E_RNA) where: Base-Base interactions energy: -1210.597 where: short stacking energy: -495.148 Base-Backbone interact. energy: -2.898 local terms energy: -554.011044 where: bonds (distance) C4'-P energy: -110.093 bonds (distance) P-C4' energy: -102.886 flat angles C4'-P-C4' energy: -125.625 flat angles P-C4'-P energy: -77.686 tors. eta vs tors. theta energy: -137.721 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: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1714.108783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.108783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.108783 (E_RNA) where: Base-Base interactions energy: -1165.417 where: short stacking energy: -521.799 Base-Backbone interact. energy: 1.658 local terms energy: -550.349951 where: bonds (distance) C4'-P energy: -99.923 bonds (distance) P-C4' energy: -123.664 flat angles C4'-P-C4' energy: -120.017 flat angles P-C4'-P energy: -74.291 tors. eta vs tors. theta energy: -132.455 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: 6, replica: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1565.284682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.284682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.284682 (E_RNA) where: Base-Base interactions energy: -1033.814 where: short stacking energy: -454.712 Base-Backbone interact. energy: -1.794 local terms energy: -529.676892 where: bonds (distance) C4'-P energy: -94.670 bonds (distance) P-C4' energy: -128.419 flat angles C4'-P-C4' energy: -123.556 flat angles P-C4'-P energy: -64.647 tors. eta vs tors. theta energy: -118.385 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: 7, replica: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1351.348055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.348055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.348055 (E_RNA) where: Base-Base interactions energy: -866.692 where: short stacking energy: -373.272 Base-Backbone interact. energy: 2.273 local terms energy: -486.929718 where: bonds (distance) C4'-P energy: -110.212 bonds (distance) P-C4' energy: -108.631 flat angles C4'-P-C4' energy: -108.240 flat angles P-C4'-P energy: -74.578 tors. eta vs tors. theta energy: -85.270 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: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1256.602822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.602822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.602822 (E_RNA) where: Base-Base interactions energy: -808.576 where: short stacking energy: -355.605 Base-Backbone interact. energy: -3.812 local terms energy: -444.214944 where: bonds (distance) C4'-P energy: -88.974 bonds (distance) P-C4' energy: -106.198 flat angles C4'-P-C4' energy: -107.284 flat angles P-C4'-P energy: -60.360 tors. eta vs tors. theta energy: -81.399 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: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -932.464730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.464730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.464730 (E_RNA) where: Base-Base interactions energy: -560.389 where: short stacking energy: -278.577 Base-Backbone interact. energy: 2.878 local terms energy: -374.953725 where: bonds (distance) C4'-P energy: -94.636 bonds (distance) P-C4' energy: -76.363 flat angles C4'-P-C4' energy: -98.674 flat angles P-C4'-P energy: -66.162 tors. eta vs tors. theta energy: -39.119 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: 10, replica: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -827.369089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.369089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.369089 (E_RNA) where: Base-Base interactions energy: -492.232 where: short stacking energy: -267.274 Base-Backbone interact. energy: 2.061 local terms energy: -337.198099 where: bonds (distance) C4'-P energy: -77.821 bonds (distance) P-C4' energy: -95.051 flat angles C4'-P-C4' energy: -73.699 flat angles P-C4'-P energy: -56.205 tors. eta vs tors. theta energy: -34.422 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: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2245.299854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.299854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.299854 (E_RNA) where: Base-Base interactions energy: -1570.782 where: short stacking energy: -633.825 Base-Backbone interact. energy: -3.730 local terms energy: -670.787813 where: bonds (distance) C4'-P energy: -128.692 bonds (distance) P-C4' energy: -122.670 flat angles C4'-P-C4' energy: -130.080 flat angles P-C4'-P energy: -103.623 tors. eta vs tors. theta energy: -185.723 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: 239 Temperature: 0.950000 Total energy: -2141.285449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.285449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.285449 (E_RNA) where: Base-Base interactions energy: -1468.822 where: short stacking energy: -638.361 Base-Backbone interact. energy: -2.196 local terms energy: -670.267172 where: bonds (distance) C4'-P energy: -122.395 bonds (distance) P-C4' energy: -129.898 flat angles C4'-P-C4' energy: -133.044 flat angles P-C4'-P energy: -100.307 tors. eta vs tors. theta energy: -184.623 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: 7 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2038.321307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.321307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.321307 (E_RNA) where: Base-Base interactions energy: -1438.176 where: short stacking energy: -620.042 Base-Backbone interact. energy: -1.985 local terms energy: -598.160559 where: bonds (distance) C4'-P energy: -105.696 bonds (distance) P-C4' energy: -96.326 flat angles C4'-P-C4' energy: -126.108 flat angles P-C4'-P energy: -83.988 tors. eta vs tors. theta energy: -186.042 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: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1810.988294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.988294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.988294 (E_RNA) where: Base-Base interactions energy: -1249.028 where: short stacking energy: -552.642 Base-Backbone interact. energy: -2.668 local terms energy: -559.292264 where: bonds (distance) C4'-P energy: -102.493 bonds (distance) P-C4' energy: -116.337 flat angles C4'-P-C4' energy: -121.084 flat angles P-C4'-P energy: -75.620 tors. eta vs tors. theta energy: -143.758 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: 9 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1674.104664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.104664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.104664 (E_RNA) where: Base-Base interactions energy: -1145.787 where: short stacking energy: -500.975 Base-Backbone interact. energy: -3.559 local terms energy: -524.759053 where: bonds (distance) C4'-P energy: -101.256 bonds (distance) P-C4' energy: -104.730 flat angles C4'-P-C4' energy: -119.724 flat angles P-C4'-P energy: -77.287 tors. eta vs tors. theta energy: -121.763 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: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1571.935993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.935993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.935993 (E_RNA) where: Base-Base interactions energy: -1054.368 where: short stacking energy: -474.227 Base-Backbone interact. energy: -2.831 local terms energy: -514.736886 where: bonds (distance) C4'-P energy: -101.124 bonds (distance) P-C4' energy: -113.883 flat angles C4'-P-C4' energy: -113.747 flat angles P-C4'-P energy: -52.422 tors. eta vs tors. theta energy: -133.561 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: 7, replica: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1318.685812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.685812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.685812 (E_RNA) where: Base-Base interactions energy: -824.307 where: short stacking energy: -370.229 Base-Backbone interact. energy: -2.603 local terms energy: -491.775682 where: bonds (distance) C4'-P energy: -95.211 bonds (distance) P-C4' energy: -122.638 flat angles C4'-P-C4' energy: -97.346 flat angles P-C4'-P energy: -79.449 tors. eta vs tors. theta energy: -97.132 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: 8, replica: 8 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1182.998251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.998251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.998251 (E_RNA) where: Base-Base interactions energy: -740.045 where: short stacking energy: -331.489 Base-Backbone interact. energy: -0.874 local terms energy: -442.079617 where: bonds (distance) C4'-P energy: -92.123 bonds (distance) P-C4' energy: -111.066 flat angles C4'-P-C4' energy: -92.182 flat angles P-C4'-P energy: -75.191 tors. eta vs tors. theta energy: -71.519 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: 9, replica: 3 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -993.620684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.620684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.620684 (E_RNA) where: Base-Base interactions energy: -582.157 where: short stacking energy: -278.246 Base-Backbone interact. energy: -0.731 local terms energy: -410.731760 where: bonds (distance) C4'-P energy: -101.317 bonds (distance) P-C4' energy: -110.185 flat angles C4'-P-C4' energy: -108.345 flat angles P-C4'-P energy: -59.329 tors. eta vs tors. theta energy: -31.555 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: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -804.462661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.462661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.462661 (E_RNA) where: Base-Base interactions energy: -429.991 where: short stacking energy: -208.251 Base-Backbone interact. energy: 1.769 local terms energy: -376.240653 where: bonds (distance) C4'-P energy: -84.218 bonds (distance) P-C4' energy: -122.040 flat angles C4'-P-C4' energy: -85.978 flat angles P-C4'-P energy: -71.058 tors. eta vs tors. theta energy: -12.947 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: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2245.111899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.111899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.111899 (E_RNA) where: Base-Base interactions energy: -1577.025 where: short stacking energy: -652.315 Base-Backbone interact. energy: -2.689 local terms energy: -665.397630 where: bonds (distance) C4'-P energy: -128.982 bonds (distance) P-C4' energy: -129.130 flat angles C4'-P-C4' energy: -145.368 flat angles P-C4'-P energy: -80.126 tors. eta vs tors. theta energy: -181.792 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: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2112.921675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.921675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.921675 (E_RNA) where: Base-Base interactions energy: -1460.840 where: short stacking energy: -628.499 Base-Backbone interact. energy: -3.730 local terms energy: -648.350891 where: bonds (distance) C4'-P energy: -114.033 bonds (distance) P-C4' energy: -132.663 flat angles C4'-P-C4' energy: -141.493 flat angles P-C4'-P energy: -80.080 tors. eta vs tors. theta energy: -180.082 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: 7 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2009.882345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.882345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.882345 (E_RNA) where: Base-Base interactions energy: -1375.228 where: short stacking energy: -607.579 Base-Backbone interact. energy: -1.774 local terms energy: -632.880015 where: bonds (distance) C4'-P energy: -104.931 bonds (distance) P-C4' energy: -127.006 flat angles C4'-P-C4' energy: -134.008 flat angles P-C4'-P energy: -92.327 tors. eta vs tors. theta energy: -174.609 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: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1875.206945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.206945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.206945 (E_RNA) where: Base-Base interactions energy: -1266.318 where: short stacking energy: -542.895 Base-Backbone interact. energy: -2.980 local terms energy: -605.908768 where: bonds (distance) C4'-P energy: -117.980 bonds (distance) P-C4' energy: -116.040 flat angles C4'-P-C4' energy: -124.946 flat angles P-C4'-P energy: -94.769 tors. eta vs tors. theta energy: -152.175 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: 5, replica: 9 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1700.995006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.995006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.995006 (E_RNA) where: Base-Base interactions energy: -1149.569 where: short stacking energy: -500.762 Base-Backbone interact. energy: 1.916 local terms energy: -553.342387 where: bonds (distance) C4'-P energy: -107.758 bonds (distance) P-C4' energy: -110.762 flat angles C4'-P-C4' energy: -127.008 flat angles P-C4'-P energy: -78.502 tors. eta vs tors. theta energy: -129.312 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: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1599.889926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.889926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.889926 (E_RNA) where: Base-Base interactions energy: -1074.331 where: short stacking energy: -457.484 Base-Backbone interact. energy: -1.808 local terms energy: -523.751054 where: bonds (distance) C4'-P energy: -93.355 bonds (distance) P-C4' energy: -111.567 flat angles C4'-P-C4' energy: -133.178 flat angles P-C4'-P energy: -70.300 tors. eta vs tors. theta energy: -115.351 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: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1251.066774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.066774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.066774 (E_RNA) where: Base-Base interactions energy: -770.967 where: short stacking energy: -357.120 Base-Backbone interact. energy: -1.329 local terms energy: -478.771293 where: bonds (distance) C4'-P energy: -118.678 bonds (distance) P-C4' energy: -104.433 flat angles C4'-P-C4' energy: -110.831 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -82.163 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: 8, replica: 8 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1257.510403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.510403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.510403 (E_RNA) where: Base-Base interactions energy: -771.336 where: short stacking energy: -351.368 Base-Backbone interact. energy: 4.400 local terms energy: -490.575170 where: bonds (distance) C4'-P energy: -116.720 bonds (distance) P-C4' energy: -94.715 flat angles C4'-P-C4' energy: -117.001 flat angles P-C4'-P energy: -76.788 tors. eta vs tors. theta energy: -85.351 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: 9, replica: 3 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1030.491237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.491237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.491237 (E_RNA) where: Base-Base interactions energy: -608.756 where: short stacking energy: -277.709 Base-Backbone interact. energy: 1.184 local terms energy: -422.919195 where: bonds (distance) C4'-P energy: -100.721 bonds (distance) P-C4' energy: -113.708 flat angles C4'-P-C4' energy: -107.522 flat angles P-C4'-P energy: -60.787 tors. eta vs tors. theta energy: -40.181 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: 5 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -767.807669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.807669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.807669 (E_RNA) where: Base-Base interactions energy: -408.679 where: short stacking energy: -224.939 Base-Backbone interact. energy: 1.898 local terms energy: -361.026658 where: bonds (distance) C4'-P energy: -93.166 bonds (distance) P-C4' energy: -118.420 flat angles C4'-P-C4' energy: -96.033 flat angles P-C4'-P energy: -51.176 tors. eta vs tors. theta energy: -2.231 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: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2251.116788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.116788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.116788 (E_RNA) where: Base-Base interactions energy: -1537.053 where: short stacking energy: -629.628 Base-Backbone interact. energy: -1.512 local terms energy: -712.551866 where: bonds (distance) C4'-P energy: -134.236 bonds (distance) P-C4' energy: -131.848 flat angles C4'-P-C4' energy: -152.249 flat angles P-C4'-P energy: -104.787 tors. eta vs tors. theta energy: -189.431 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: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2141.633202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.633202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.633202 (E_RNA) where: Base-Base interactions energy: -1455.883 where: short stacking energy: -639.124 Base-Backbone interact. energy: -2.530 local terms energy: -683.219316 where: bonds (distance) C4'-P energy: -105.500 bonds (distance) P-C4' energy: -124.155 flat angles C4'-P-C4' energy: -152.924 flat angles P-C4'-P energy: -95.795 tors. eta vs tors. theta energy: -204.844 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: 3, replica: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2045.702896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.702896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.702896 (E_RNA) where: Base-Base interactions energy: -1407.302 where: short stacking energy: -594.177 Base-Backbone interact. energy: -0.431 local terms energy: -637.969464 where: bonds (distance) C4'-P energy: -124.879 bonds (distance) P-C4' energy: -125.188 flat angles C4'-P-C4' energy: -128.574 flat angles P-C4'-P energy: -87.190 tors. eta vs tors. theta energy: -172.138 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: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1859.513671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.513671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.513671 (E_RNA) where: Base-Base interactions energy: -1255.946 where: short stacking energy: -552.427 Base-Backbone interact. energy: -0.275 local terms energy: -603.292472 where: bonds (distance) C4'-P energy: -112.128 bonds (distance) P-C4' energy: -117.863 flat angles C4'-P-C4' energy: -144.574 flat angles P-C4'-P energy: -80.754 tors. eta vs tors. theta energy: -147.973 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: 5, replica: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1707.466167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.466167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.466167 (E_RNA) where: Base-Base interactions energy: -1169.890 where: short stacking energy: -502.000 Base-Backbone interact. energy: 2.064 local terms energy: -539.639638 where: bonds (distance) C4'-P energy: -108.402 bonds (distance) P-C4' energy: -112.016 flat angles C4'-P-C4' energy: -122.921 flat angles P-C4'-P energy: -74.436 tors. eta vs tors. theta energy: -121.865 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: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1635.625863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.625863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.625863 (E_RNA) where: Base-Base interactions energy: -1098.508 where: short stacking energy: -464.395 Base-Backbone interact. energy: 1.014 local terms energy: -538.131609 where: bonds (distance) C4'-P energy: -110.239 bonds (distance) P-C4' energy: -94.534 flat angles C4'-P-C4' energy: -128.671 flat angles P-C4'-P energy: -83.388 tors. eta vs tors. theta energy: -121.299 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: 7, replica: 2 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1234.937347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.937347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.937347 (E_RNA) where: Base-Base interactions energy: -775.107 where: short stacking energy: -366.885 Base-Backbone interact. energy: -0.903 local terms energy: -458.927628 where: bonds (distance) C4'-P energy: -98.852 bonds (distance) P-C4' energy: -111.923 flat angles C4'-P-C4' energy: -94.098 flat angles P-C4'-P energy: -73.882 tors. eta vs tors. theta energy: -80.172 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: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1261.934270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.934270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.934270 (E_RNA) where: Base-Base interactions energy: -800.941 where: short stacking energy: -380.457 Base-Backbone interact. energy: -0.043 local terms energy: -460.950057 where: bonds (distance) C4'-P energy: -98.679 bonds (distance) P-C4' energy: -103.311 flat angles C4'-P-C4' energy: -100.652 flat angles P-C4'-P energy: -68.995 tors. eta vs tors. theta energy: -89.314 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: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -980.922023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.922023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.922023 (E_RNA) where: Base-Base interactions energy: -571.759 where: short stacking energy: -240.237 Base-Backbone interact. energy: -1.456 local terms energy: -407.707217 where: bonds (distance) C4'-P energy: -93.188 bonds (distance) P-C4' energy: -111.666 flat angles C4'-P-C4' energy: -106.626 flat angles P-C4'-P energy: -75.899 tors. eta vs tors. theta energy: -20.329 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: 10, replica: 5 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -777.779485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.779485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.779485 (E_RNA) where: Base-Base interactions energy: -402.134 where: short stacking energy: -219.934 Base-Backbone interact. energy: -0.457 local terms energy: -375.187793 where: bonds (distance) C4'-P energy: -107.009 bonds (distance) P-C4' energy: -101.316 flat angles C4'-P-C4' energy: -102.690 flat angles P-C4'-P energy: -50.042 tors. eta vs tors. theta energy: -14.131 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: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2219.378922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.378922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.378922 (E_RNA) where: Base-Base interactions energy: -1524.236 where: short stacking energy: -638.643 Base-Backbone interact. energy: -7.168 local terms energy: -687.975622 where: bonds (distance) C4'-P energy: -119.489 bonds (distance) P-C4' energy: -126.081 flat angles C4'-P-C4' energy: -148.529 flat angles P-C4'-P energy: -103.978 tors. eta vs tors. theta energy: -189.900 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: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2107.916362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.916362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.916362 (E_RNA) where: Base-Base interactions energy: -1439.605 where: short stacking energy: -613.430 Base-Backbone interact. energy: -2.759 local terms energy: -665.552392 where: bonds (distance) C4'-P energy: -126.393 bonds (distance) P-C4' energy: -122.083 flat angles C4'-P-C4' energy: -137.534 flat angles P-C4'-P energy: -83.457 tors. eta vs tors. theta energy: -196.086 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: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2090.556085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.556085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.556085 (E_RNA) where: Base-Base interactions energy: -1447.973 where: short stacking energy: -606.988 Base-Backbone interact. energy: -2.347 local terms energy: -640.236364 where: bonds (distance) C4'-P energy: -123.634 bonds (distance) P-C4' energy: -121.943 flat angles C4'-P-C4' energy: -129.110 flat angles P-C4'-P energy: -84.792 tors. eta vs tors. theta energy: -180.758 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: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1864.048964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.048964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.048964 (E_RNA) where: Base-Base interactions energy: -1266.959 where: short stacking energy: -541.983 Base-Backbone interact. energy: -2.057 local terms energy: -595.033218 where: bonds (distance) C4'-P energy: -101.861 bonds (distance) P-C4' energy: -106.276 flat angles C4'-P-C4' energy: -137.827 flat angles P-C4'-P energy: -93.138 tors. eta vs tors. theta energy: -155.932 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: 5, replica: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1724.010361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.010361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.010361 (E_RNA) where: Base-Base interactions energy: -1154.525 where: short stacking energy: -483.851 Base-Backbone interact. energy: -3.655 local terms energy: -565.830958 where: bonds (distance) C4'-P energy: -106.497 bonds (distance) P-C4' energy: -121.122 flat angles C4'-P-C4' energy: -134.242 flat angles P-C4'-P energy: -80.692 tors. eta vs tors. theta energy: -123.278 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: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1636.115227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.115227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.115227 (E_RNA) where: Base-Base interactions energy: -1094.373 where: short stacking energy: -458.500 Base-Backbone interact. energy: 4.283 local terms energy: -546.025250 where: bonds (distance) C4'-P energy: -110.376 bonds (distance) P-C4' energy: -111.718 flat angles C4'-P-C4' energy: -126.014 flat angles P-C4'-P energy: -68.338 tors. eta vs tors. theta energy: -129.580 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: 8 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1274.885567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.885567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.885567 (E_RNA) where: Base-Base interactions energy: -789.146 where: short stacking energy: -342.417 Base-Backbone interact. energy: 1.511 local terms energy: -487.250916 where: bonds (distance) C4'-P energy: -127.277 bonds (distance) P-C4' energy: -123.014 flat angles C4'-P-C4' energy: -93.991 flat angles P-C4'-P energy: -66.442 tors. eta vs tors. theta energy: -76.528 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: 8, replica: 2 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1185.512759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.512759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.512759 (E_RNA) where: Base-Base interactions energy: -744.115 where: short stacking energy: -369.206 Base-Backbone interact. energy: -0.724 local terms energy: -440.673641 where: bonds (distance) C4'-P energy: -102.897 bonds (distance) P-C4' energy: -99.189 flat angles C4'-P-C4' energy: -121.539 flat angles P-C4'-P energy: -46.156 tors. eta vs tors. theta energy: -70.894 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: 9, replica: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -984.976624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.976624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.976624 (E_RNA) where: Base-Base interactions energy: -596.275 where: short stacking energy: -288.965 Base-Backbone interact. energy: -1.757 local terms energy: -386.944056 where: bonds (distance) C4'-P energy: -101.012 bonds (distance) P-C4' energy: -104.256 flat angles C4'-P-C4' energy: -97.853 flat angles P-C4'-P energy: -52.968 tors. eta vs tors. theta energy: -30.855 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: 5 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -765.922069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.922069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.922069 (E_RNA) where: Base-Base interactions energy: -406.130 where: short stacking energy: -202.484 Base-Backbone interact. energy: 1.946 local terms energy: -361.737508 where: bonds (distance) C4'-P energy: -89.919 bonds (distance) P-C4' energy: -117.406 flat angles C4'-P-C4' energy: -94.194 flat angles P-C4'-P energy: -45.109 tors. eta vs tors. theta energy: -15.109 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: 1, replica: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2216.419632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.419632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.419632 (E_RNA) where: Base-Base interactions energy: -1553.783 where: short stacking energy: -616.005 Base-Backbone interact. energy: -5.962 local terms energy: -656.675222 where: bonds (distance) C4'-P energy: -126.466 bonds (distance) P-C4' energy: -119.879 flat angles C4'-P-C4' energy: -143.098 flat angles P-C4'-P energy: -90.758 tors. eta vs tors. theta energy: -176.474 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: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2143.851903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.851903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.851903 (E_RNA) where: Base-Base interactions energy: -1465.877 where: short stacking energy: -645.167 Base-Backbone interact. energy: -3.075 local terms energy: -674.900185 where: bonds (distance) C4'-P energy: -116.820 bonds (distance) P-C4' energy: -118.393 flat angles C4'-P-C4' energy: -147.526 flat angles P-C4'-P energy: -98.223 tors. eta vs tors. theta energy: -193.938 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: 3, replica: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2095.594434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.594434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.594434 (E_RNA) where: Base-Base interactions energy: -1435.549 where: short stacking energy: -617.149 Base-Backbone interact. energy: 3.179 local terms energy: -663.223702 where: bonds (distance) C4'-P energy: -122.179 bonds (distance) P-C4' energy: -118.406 flat angles C4'-P-C4' energy: -147.238 flat angles P-C4'-P energy: -93.954 tors. eta vs tors. theta energy: -181.448 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: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1863.534559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.534559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.534559 (E_RNA) where: Base-Base interactions energy: -1266.069 where: short stacking energy: -552.735 Base-Backbone interact. energy: 7.581 local terms energy: -605.046127 where: bonds (distance) C4'-P energy: -129.234 bonds (distance) P-C4' energy: -111.714 flat angles C4'-P-C4' energy: -128.895 flat angles P-C4'-P energy: -85.408 tors. eta vs tors. theta energy: -149.795 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: 9 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1694.720664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.720664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.720664 (E_RNA) where: Base-Base interactions energy: -1116.711 where: short stacking energy: -503.778 Base-Backbone interact. energy: 0.785 local terms energy: -578.794690 where: bonds (distance) C4'-P energy: -100.304 bonds (distance) P-C4' energy: -120.389 flat angles C4'-P-C4' energy: -131.099 flat angles P-C4'-P energy: -91.915 tors. eta vs tors. theta energy: -135.089 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: 243 Temperature: 1.150000 Total energy: -1642.123547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.123547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.123547 (E_RNA) where: Base-Base interactions energy: -1067.666 where: short stacking energy: -462.608 Base-Backbone interact. energy: -3.527 local terms energy: -570.930205 where: bonds (distance) C4'-P energy: -104.221 bonds (distance) P-C4' energy: -104.475 flat angles C4'-P-C4' energy: -133.791 flat angles P-C4'-P energy: -90.142 tors. eta vs tors. theta energy: -138.301 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: 7, replica: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1310.866388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.866388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.866388 (E_RNA) where: Base-Base interactions energy: -822.568 where: short stacking energy: -354.914 Base-Backbone interact. energy: 1.486 local terms energy: -489.784346 where: bonds (distance) C4'-P energy: -103.893 bonds (distance) P-C4' energy: -102.993 flat angles C4'-P-C4' energy: -117.289 flat angles P-C4'-P energy: -82.435 tors. eta vs tors. theta energy: -83.174 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: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1171.094093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.094093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.094093 (E_RNA) where: Base-Base interactions energy: -721.350 where: short stacking energy: -330.729 Base-Backbone interact. energy: 0.627 local terms energy: -450.370274 where: bonds (distance) C4'-P energy: -94.060 bonds (distance) P-C4' energy: -116.270 flat angles C4'-P-C4' energy: -105.559 flat angles P-C4'-P energy: -71.858 tors. eta vs tors. theta energy: -62.624 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: 9, replica: 3 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -997.060868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.060868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.060868 (E_RNA) where: Base-Base interactions energy: -596.235 where: short stacking energy: -275.891 Base-Backbone interact. energy: -1.027 local terms energy: -399.797959 where: bonds (distance) C4'-P energy: -90.202 bonds (distance) P-C4' energy: -107.809 flat angles C4'-P-C4' energy: -91.888 flat angles P-C4'-P energy: -57.657 tors. eta vs tors. theta energy: -52.241 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: 10, replica: 5 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -765.637842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.637842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.637842 (E_RNA) where: Base-Base interactions energy: -421.931 where: short stacking energy: -201.972 Base-Backbone interact. energy: -0.349 local terms energy: -343.357810 where: bonds (distance) C4'-P energy: -97.904 bonds (distance) P-C4' energy: -99.141 flat angles C4'-P-C4' energy: -87.515 flat angles P-C4'-P energy: -57.751 tors. eta vs tors. theta energy: -1.047 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: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2241.882871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.882871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.882871 (E_RNA) where: Base-Base interactions energy: -1560.128 where: short stacking energy: -675.396 Base-Backbone interact. energy: -2.351 local terms energy: -679.403767 where: bonds (distance) C4'-P energy: -133.555 bonds (distance) P-C4' energy: -118.561 flat angles C4'-P-C4' energy: -143.376 flat angles P-C4'-P energy: -98.999 tors. eta vs tors. theta energy: -184.913 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: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2107.805120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.805120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.805120 (E_RNA) where: Base-Base interactions energy: -1447.339 where: short stacking energy: -636.768 Base-Backbone interact. energy: -3.291 local terms energy: -657.175633 where: bonds (distance) C4'-P energy: -117.060 bonds (distance) P-C4' energy: -129.932 flat angles C4'-P-C4' energy: -143.271 flat angles P-C4'-P energy: -81.368 tors. eta vs tors. theta energy: -185.545 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: 3, replica: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2104.142354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.142354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.142354 (E_RNA) where: Base-Base interactions energy: -1440.737 where: short stacking energy: -611.018 Base-Backbone interact. energy: -1.801 local terms energy: -661.604411 where: bonds (distance) C4'-P energy: -126.493 bonds (distance) P-C4' energy: -118.332 flat angles C4'-P-C4' energy: -145.288 flat angles P-C4'-P energy: -81.684 tors. eta vs tors. theta energy: -189.808 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: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1860.521282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.521282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.521282 (E_RNA) where: Base-Base interactions energy: -1253.721 where: short stacking energy: -529.826 Base-Backbone interact. energy: -2.739 local terms energy: -604.061080 where: bonds (distance) C4'-P energy: -119.910 bonds (distance) P-C4' energy: -112.649 flat angles C4'-P-C4' energy: -142.005 flat angles P-C4'-P energy: -80.911 tors. eta vs tors. theta energy: -148.587 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: 5, replica: 9 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1704.282077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.282077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.282077 (E_RNA) where: Base-Base interactions energy: -1164.413 where: short stacking energy: -490.784 Base-Backbone interact. energy: 3.863 local terms energy: -543.731730 where: bonds (distance) C4'-P energy: -104.576 bonds (distance) P-C4' energy: -101.107 flat angles C4'-P-C4' energy: -133.760 flat angles P-C4'-P energy: -68.925 tors. eta vs tors. theta energy: -135.364 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: 6, replica: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1610.616581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.616581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.616581 (E_RNA) where: Base-Base interactions energy: -1082.047 where: short stacking energy: -475.658 Base-Backbone interact. energy: 1.931 local terms energy: -530.499770 where: bonds (distance) C4'-P energy: -115.969 bonds (distance) P-C4' energy: -105.577 flat angles C4'-P-C4' energy: -123.516 flat angles P-C4'-P energy: -60.250 tors. eta vs tors. theta energy: -125.187 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: 244 Temperature: 1.200000 Total energy: -1351.389892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.389892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.389892 (E_RNA) where: Base-Base interactions energy: -878.937 where: short stacking energy: -390.106 Base-Backbone interact. energy: -4.046 local terms energy: -468.407286 where: bonds (distance) C4'-P energy: -103.372 bonds (distance) P-C4' energy: -96.709 flat angles C4'-P-C4' energy: -109.010 flat angles P-C4'-P energy: -85.078 tors. eta vs tors. theta energy: -74.238 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: 8, replica: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1176.447353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.447353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.447353 (E_RNA) where: Base-Base interactions energy: -734.351 where: short stacking energy: -329.701 Base-Backbone interact. energy: -2.606 local terms energy: -439.490048 where: bonds (distance) C4'-P energy: -102.219 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -97.365 flat angles P-C4'-P energy: -83.533 tors. eta vs tors. theta energy: -49.979 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: 9, replica: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -949.860221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.860221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.860221 (E_RNA) where: Base-Base interactions energy: -553.351 where: short stacking energy: -263.549 Base-Backbone interact. energy: 1.058 local terms energy: -397.567600 where: bonds (distance) C4'-P energy: -100.976 bonds (distance) P-C4' energy: -110.459 flat angles C4'-P-C4' energy: -84.213 flat angles P-C4'-P energy: -56.723 tors. eta vs tors. theta energy: -45.196 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: 5 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -808.946547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.946547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.946547 (E_RNA) where: Base-Base interactions energy: -468.386 where: short stacking energy: -239.813 Base-Backbone interact. energy: -0.016 local terms energy: -340.544560 where: bonds (distance) C4'-P energy: -81.806 bonds (distance) P-C4' energy: -96.321 flat angles C4'-P-C4' energy: -81.994 flat angles P-C4'-P energy: -55.182 tors. eta vs tors. theta energy: -25.241 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: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2195.295108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.295108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.295108 (E_RNA) where: Base-Base interactions energy: -1538.956 where: short stacking energy: -649.402 Base-Backbone interact. energy: -4.892 local terms energy: -651.447449 where: bonds (distance) C4'-P energy: -107.718 bonds (distance) P-C4' energy: -122.194 flat angles C4'-P-C4' energy: -142.252 flat angles P-C4'-P energy: -92.751 tors. eta vs tors. theta energy: -186.533 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: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2135.699089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.699089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.699089 (E_RNA) where: Base-Base interactions energy: -1445.132 where: short stacking energy: -636.976 Base-Backbone interact. energy: -3.425 local terms energy: -687.142213 where: bonds (distance) C4'-P energy: -128.361 bonds (distance) P-C4' energy: -126.393 flat angles C4'-P-C4' energy: -141.014 flat angles P-C4'-P energy: -92.653 tors. eta vs tors. theta energy: -198.722 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: 3, replica: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2102.492333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.492333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.492333 (E_RNA) where: Base-Base interactions energy: -1441.856 where: short stacking energy: -592.608 Base-Backbone interact. energy: -4.758 local terms energy: -655.877923 where: bonds (distance) C4'-P energy: -123.107 bonds (distance) P-C4' energy: -120.874 flat angles C4'-P-C4' energy: -142.610 flat angles P-C4'-P energy: -91.749 tors. eta vs tors. theta energy: -177.537 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: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1832.664742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.664742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.664742 (E_RNA) where: Base-Base interactions energy: -1270.434 where: short stacking energy: -543.248 Base-Backbone interact. energy: 3.638 local terms energy: -565.868283 where: bonds (distance) C4'-P energy: -86.748 bonds (distance) P-C4' energy: -104.681 flat angles C4'-P-C4' energy: -127.234 flat angles P-C4'-P energy: -89.684 tors. eta vs tors. theta energy: -157.522 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: 5, replica: 9 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1708.498930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.498930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.498930 (E_RNA) where: Base-Base interactions energy: -1144.670 where: short stacking energy: -483.334 Base-Backbone interact. energy: -0.102 local terms energy: -563.726468 where: bonds (distance) C4'-P energy: -111.444 bonds (distance) P-C4' energy: -117.621 flat angles C4'-P-C4' energy: -116.715 flat angles P-C4'-P energy: -100.498 tors. eta vs tors. theta energy: -117.448 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: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1696.978771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.978771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.978771 (E_RNA) where: Base-Base interactions energy: -1165.286 where: short stacking energy: -510.088 Base-Backbone interact. energy: 1.035 local terms energy: -532.727433 where: bonds (distance) C4'-P energy: -96.940 bonds (distance) P-C4' energy: -97.760 flat angles C4'-P-C4' energy: -120.552 flat angles P-C4'-P energy: -80.535 tors. eta vs tors. theta energy: -136.940 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: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1290.211074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.211074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.211074 (E_RNA) where: Base-Base interactions energy: -792.624 where: short stacking energy: -367.574 Base-Backbone interact. energy: 1.025 local terms energy: -498.612188 where: bonds (distance) C4'-P energy: -105.885 bonds (distance) P-C4' energy: -104.086 flat angles C4'-P-C4' energy: -110.569 flat angles P-C4'-P energy: -89.627 tors. eta vs tors. theta energy: -88.446 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: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1146.963970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.963970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.963970 (E_RNA) where: Base-Base interactions energy: -727.636 where: short stacking energy: -335.904 Base-Backbone interact. energy: 0.572 local terms energy: -419.899656 where: bonds (distance) C4'-P energy: -92.329 bonds (distance) P-C4' energy: -99.777 flat angles C4'-P-C4' energy: -104.589 flat angles P-C4'-P energy: -61.403 tors. eta vs tors. theta energy: -61.801 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: 9, replica: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -959.872378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.872378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.872378 (E_RNA) where: Base-Base interactions energy: -576.915 where: short stacking energy: -273.505 Base-Backbone interact. energy: 6.238 local terms energy: -389.195047 where: bonds (distance) C4'-P energy: -99.636 bonds (distance) P-C4' energy: -111.903 flat angles C4'-P-C4' energy: -88.892 flat angles P-C4'-P energy: -64.013 tors. eta vs tors. theta energy: -24.753 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: 5 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -817.342413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.342413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.342413 (E_RNA) where: Base-Base interactions energy: -469.081 where: short stacking energy: -236.197 Base-Backbone interact. energy: -1.583 local terms energy: -346.678083 where: bonds (distance) C4'-P energy: -87.538 bonds (distance) P-C4' energy: -104.355 flat angles C4'-P-C4' energy: -74.602 flat angles P-C4'-P energy: -54.821 tors. eta vs tors. theta energy: -25.362 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: 1, replica: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2191.598256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.598256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.598256 (E_RNA) where: Base-Base interactions energy: -1512.417 where: short stacking energy: -618.114 Base-Backbone interact. energy: -2.492 local terms energy: -676.688964 where: bonds (distance) C4'-P energy: -118.598 bonds (distance) P-C4' energy: -127.545 flat angles C4'-P-C4' energy: -149.968 flat angles P-C4'-P energy: -93.414 tors. eta vs tors. theta energy: -187.164 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: 2, replica: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2110.155610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.155610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.155610 (E_RNA) where: Base-Base interactions energy: -1446.025 where: short stacking energy: -634.917 Base-Backbone interact. energy: -4.777 local terms energy: -659.353577 where: bonds (distance) C4'-P energy: -113.117 bonds (distance) P-C4' energy: -118.486 flat angles C4'-P-C4' energy: -147.930 flat angles P-C4'-P energy: -85.603 tors. eta vs tors. theta energy: -194.218 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: 3, replica: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2099.093853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.093853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.093853 (E_RNA) where: Base-Base interactions energy: -1435.185 where: short stacking energy: -611.710 Base-Backbone interact. energy: -3.613 local terms energy: -660.296028 where: bonds (distance) C4'-P energy: -108.914 bonds (distance) P-C4' energy: -117.555 flat angles C4'-P-C4' energy: -143.590 flat angles P-C4'-P energy: -101.446 tors. eta vs tors. theta energy: -188.791 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: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1861.014583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.014583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.014583 (E_RNA) where: Base-Base interactions energy: -1247.283 where: short stacking energy: -535.860 Base-Backbone interact. energy: -1.480 local terms energy: -612.251289 where: bonds (distance) C4'-P energy: -117.460 bonds (distance) P-C4' energy: -124.230 flat angles C4'-P-C4' energy: -127.370 flat angles P-C4'-P energy: -90.556 tors. eta vs tors. theta energy: -152.635 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: 5, replica: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1764.795444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.795444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.795444 (E_RNA) where: Base-Base interactions energy: -1195.157 where: short stacking energy: -513.868 Base-Backbone interact. energy: -0.209 local terms energy: -569.429246 where: bonds (distance) C4'-P energy: -117.597 bonds (distance) P-C4' energy: -110.240 flat angles C4'-P-C4' energy: -128.818 flat angles P-C4'-P energy: -62.918 tors. eta vs tors. theta energy: -149.856 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: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1675.252897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.252897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.252897 (E_RNA) where: Base-Base interactions energy: -1144.251 where: short stacking energy: -491.896 Base-Backbone interact. energy: 2.865 local terms energy: -533.866928 where: bonds (distance) C4'-P energy: -113.860 bonds (distance) P-C4' energy: -102.769 flat angles C4'-P-C4' energy: -120.135 flat angles P-C4'-P energy: -74.172 tors. eta vs tors. theta energy: -122.931 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: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1364.837970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.837970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.837970 (E_RNA) where: Base-Base interactions energy: -877.928 where: short stacking energy: -399.552 Base-Backbone interact. energy: 1.549 local terms energy: -488.458838 where: bonds (distance) C4'-P energy: -86.956 bonds (distance) P-C4' energy: -121.470 flat angles C4'-P-C4' energy: -114.342 flat angles P-C4'-P energy: -73.304 tors. eta vs tors. theta energy: -92.386 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: 2 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1113.450526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.450526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.450526 (E_RNA) where: Base-Base interactions energy: -687.742 where: short stacking energy: -307.845 Base-Backbone interact. energy: 4.398 local terms energy: -430.106617 where: bonds (distance) C4'-P energy: -103.830 bonds (distance) P-C4' energy: -108.625 flat angles C4'-P-C4' energy: -97.039 flat angles P-C4'-P energy: -67.091 tors. eta vs tors. theta energy: -53.521 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: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1068.283992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.283992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.283992 (E_RNA) where: Base-Base interactions energy: -657.812 where: short stacking energy: -300.246 Base-Backbone interact. energy: -3.526 local terms energy: -406.945543 where: bonds (distance) C4'-P energy: -79.715 bonds (distance) P-C4' energy: -117.691 flat angles C4'-P-C4' energy: -90.716 flat angles P-C4'-P energy: -73.827 tors. eta vs tors. theta energy: -44.997 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: 10, replica: 5 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -732.354123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.354123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.354123 (E_RNA) where: Base-Base interactions energy: -375.716 where: short stacking energy: -195.704 Base-Backbone interact. energy: 3.201 local terms energy: -359.838593 where: bonds (distance) C4'-P energy: -92.434 bonds (distance) P-C4' energy: -118.313 flat angles C4'-P-C4' energy: -88.295 flat angles P-C4'-P energy: -50.659 tors. eta vs tors. theta energy: -10.138 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: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2196.328903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.328903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.328903 (E_RNA) where: Base-Base interactions energy: -1528.715 where: short stacking energy: -634.597 Base-Backbone interact. energy: -4.151 local terms energy: -663.462994 where: bonds (distance) C4'-P energy: -122.023 bonds (distance) P-C4' energy: -134.346 flat angles C4'-P-C4' energy: -137.597 flat angles P-C4'-P energy: -86.089 tors. eta vs tors. theta energy: -183.408 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: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2143.369745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.369745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.369745 (E_RNA) where: Base-Base interactions energy: -1460.466 where: short stacking energy: -656.673 Base-Backbone interact. energy: -3.057 local terms energy: -679.847174 where: bonds (distance) C4'-P energy: -126.222 bonds (distance) P-C4' energy: -116.173 flat angles C4'-P-C4' energy: -141.236 flat angles P-C4'-P energy: -99.944 tors. eta vs tors. theta energy: -196.272 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: 3, replica: 10 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2062.058014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.058014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.058014 (E_RNA) where: Base-Base interactions energy: -1404.215 where: short stacking energy: -613.659 Base-Backbone interact. energy: -2.432 local terms energy: -655.411145 where: bonds (distance) C4'-P energy: -113.032 bonds (distance) P-C4' energy: -130.840 flat angles C4'-P-C4' energy: -139.247 flat angles P-C4'-P energy: -92.953 tors. eta vs tors. theta energy: -179.338 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: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1800.743042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.743042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.743042 (E_RNA) where: Base-Base interactions energy: -1235.003 where: short stacking energy: -545.489 Base-Backbone interact. energy: 0.228 local terms energy: -565.968897 where: bonds (distance) C4'-P energy: -106.827 bonds (distance) P-C4' energy: -115.842 flat angles C4'-P-C4' energy: -116.761 flat angles P-C4'-P energy: -80.153 tors. eta vs tors. theta energy: -146.385 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: 5, replica: 6 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1824.567265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.567265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.567265 (E_RNA) where: Base-Base interactions energy: -1241.580 where: short stacking energy: -539.831 Base-Backbone interact. energy: -0.802 local terms energy: -582.184960 where: bonds (distance) C4'-P energy: -123.998 bonds (distance) P-C4' energy: -105.322 flat angles C4'-P-C4' energy: -119.866 flat angles P-C4'-P energy: -86.128 tors. eta vs tors. theta energy: -146.871 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: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1669.113489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.113489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.113489 (E_RNA) where: Base-Base interactions energy: -1129.258 where: short stacking energy: -507.543 Base-Backbone interact. energy: -4.010 local terms energy: -535.845137 where: bonds (distance) C4'-P energy: -95.493 bonds (distance) P-C4' energy: -97.846 flat angles C4'-P-C4' energy: -129.436 flat angles P-C4'-P energy: -79.407 tors. eta vs tors. theta energy: -133.663 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: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1392.694807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.694807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.694807 (E_RNA) where: Base-Base interactions energy: -910.411 where: short stacking energy: -417.520 Base-Backbone interact. energy: -3.441 local terms energy: -478.842895 where: bonds (distance) C4'-P energy: -103.420 bonds (distance) P-C4' energy: -98.517 flat angles C4'-P-C4' energy: -107.846 flat angles P-C4'-P energy: -79.791 tors. eta vs tors. theta energy: -89.268 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: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1206.373869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.373869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.373869 (E_RNA) where: Base-Base interactions energy: -748.910 where: short stacking energy: -358.003 Base-Backbone interact. energy: 2.160 local terms energy: -459.623774 where: bonds (distance) C4'-P energy: -105.385 bonds (distance) P-C4' energy: -103.641 flat angles C4'-P-C4' energy: -109.285 flat angles P-C4'-P energy: -66.354 tors. eta vs tors. theta energy: -74.959 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: 2 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1120.299100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.299100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.299100 (E_RNA) where: Base-Base interactions energy: -701.596 where: short stacking energy: -296.509 Base-Backbone interact. energy: 3.838 local terms energy: -422.541231 where: bonds (distance) C4'-P energy: -91.513 bonds (distance) P-C4' energy: -102.152 flat angles C4'-P-C4' energy: -98.664 flat angles P-C4'-P energy: -67.526 tors. eta vs tors. theta energy: -62.687 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: 10, replica: 5 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -761.045497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.045497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.045497 (E_RNA) where: Base-Base interactions energy: -399.060 where: short stacking energy: -202.890 Base-Backbone interact. energy: 2.584 local terms energy: -364.569517 where: bonds (distance) C4'-P energy: -96.676 bonds (distance) P-C4' energy: -103.939 flat angles C4'-P-C4' energy: -94.486 flat angles P-C4'-P energy: -53.174 tors. eta vs tors. theta energy: -16.295 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: 1, replica: 1 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2173.519136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.519136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.519136 (E_RNA) where: Base-Base interactions energy: -1518.607 where: short stacking energy: -609.264 Base-Backbone interact. energy: -4.688 local terms energy: -650.224049 where: bonds (distance) C4'-P energy: -127.721 bonds (distance) P-C4' energy: -130.603 flat angles C4'-P-C4' energy: -135.862 flat angles P-C4'-P energy: -89.611 tors. eta vs tors. theta energy: -166.428 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: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2119.567235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.567235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.567235 (E_RNA) where: Base-Base interactions energy: -1456.303 where: short stacking energy: -647.795 Base-Backbone interact. energy: -3.813 local terms energy: -659.450981 where: bonds (distance) C4'-P energy: -110.735 bonds (distance) P-C4' energy: -125.407 flat angles C4'-P-C4' energy: -140.401 flat angles P-C4'-P energy: -96.206 tors. eta vs tors. theta energy: -186.702 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: 3, replica: 10 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2040.487766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.487766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.487766 (E_RNA) where: Base-Base interactions energy: -1391.841 where: short stacking energy: -612.700 Base-Backbone interact. energy: 3.062 local terms energy: -651.708652 where: bonds (distance) C4'-P energy: -114.127 bonds (distance) P-C4' energy: -118.240 flat angles C4'-P-C4' energy: -143.006 flat angles P-C4'-P energy: -89.013 tors. eta vs tors. theta energy: -187.323 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: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1847.414869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.414869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.414869 (E_RNA) where: Base-Base interactions energy: -1237.896 where: short stacking energy: -545.676 Base-Backbone interact. energy: -4.932 local terms energy: -604.587496 where: bonds (distance) C4'-P energy: -102.528 bonds (distance) P-C4' energy: -116.813 flat angles C4'-P-C4' energy: -138.740 flat angles P-C4'-P energy: -88.186 tors. eta vs tors. theta energy: -158.320 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: 5, replica: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1852.362889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.362889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.362889 (E_RNA) where: Base-Base interactions energy: -1263.330 where: short stacking energy: -529.783 Base-Backbone interact. energy: -0.441 local terms energy: -588.591781 where: bonds (distance) C4'-P energy: -119.589 bonds (distance) P-C4' energy: -109.661 flat angles C4'-P-C4' energy: -135.634 flat angles P-C4'-P energy: -80.523 tors. eta vs tors. theta energy: -143.185 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: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1657.097156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.097156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.097156 (E_RNA) where: Base-Base interactions energy: -1110.245 where: short stacking energy: -477.768 Base-Backbone interact. energy: -1.271 local terms energy: -545.580807 where: bonds (distance) C4'-P energy: -107.578 bonds (distance) P-C4' energy: -112.323 flat angles C4'-P-C4' energy: -130.184 flat angles P-C4'-P energy: -62.079 tors. eta vs tors. theta energy: -133.417 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: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1347.983861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.983861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.983861 (E_RNA) where: Base-Base interactions energy: -864.900 where: short stacking energy: -387.723 Base-Backbone interact. energy: -2.422 local terms energy: -480.661729 where: bonds (distance) C4'-P energy: -97.348 bonds (distance) P-C4' energy: -112.601 flat angles C4'-P-C4' energy: -111.580 flat angles P-C4'-P energy: -67.797 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: 8, replica: 3 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1231.309122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.309122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.309122 (E_RNA) where: Base-Base interactions energy: -785.977 where: short stacking energy: -368.143 Base-Backbone interact. energy: -2.004 local terms energy: -443.328092 where: bonds (distance) C4'-P energy: -110.825 bonds (distance) P-C4' energy: -92.657 flat angles C4'-P-C4' energy: -98.859 flat angles P-C4'-P energy: -53.709 tors. eta vs tors. theta energy: -87.278 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: 2 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -994.650145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.650145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.650145 (E_RNA) where: Base-Base interactions energy: -631.381 where: short stacking energy: -287.499 Base-Backbone interact. energy: -0.231 local terms energy: -363.038345 where: bonds (distance) C4'-P energy: -88.875 bonds (distance) P-C4' energy: -90.331 flat angles C4'-P-C4' energy: -83.567 flat angles P-C4'-P energy: -66.732 tors. eta vs tors. theta energy: -33.534 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: 10, replica: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -716.632577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.632577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.632577 (E_RNA) where: Base-Base interactions energy: -390.193 where: short stacking energy: -200.012 Base-Backbone interact. energy: 3.383 local terms energy: -329.823015 where: bonds (distance) C4'-P energy: -93.992 bonds (distance) P-C4' energy: -90.777 flat angles C4'-P-C4' energy: -75.531 flat angles P-C4'-P energy: -62.378 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: 1 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2196.528986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.528986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.528986 (E_RNA) where: Base-Base interactions energy: -1539.637 where: short stacking energy: -618.278 Base-Backbone interact. energy: -5.386 local terms energy: -651.505996 where: bonds (distance) C4'-P energy: -119.209 bonds (distance) P-C4' energy: -127.734 flat angles C4'-P-C4' energy: -137.616 flat angles P-C4'-P energy: -81.812 tors. eta vs tors. theta energy: -185.135 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: 2, replica: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2111.991275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.991275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.991275 (E_RNA) where: Base-Base interactions energy: -1419.403 where: short stacking energy: -624.670 Base-Backbone interact. energy: -1.238 local terms energy: -691.349477 where: bonds (distance) C4'-P energy: -133.588 bonds (distance) P-C4' energy: -129.511 flat angles C4'-P-C4' energy: -143.239 flat angles P-C4'-P energy: -87.944 tors. eta vs tors. theta energy: -197.068 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: 3, replica: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2028.700840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.700840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.700840 (E_RNA) where: Base-Base interactions energy: -1389.290 where: short stacking energy: -572.681 Base-Backbone interact. energy: -1.875 local terms energy: -637.535723 where: bonds (distance) C4'-P energy: -111.709 bonds (distance) P-C4' energy: -116.369 flat angles C4'-P-C4' energy: -145.244 flat angles P-C4'-P energy: -94.769 tors. eta vs tors. theta energy: -169.444 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: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1877.320420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.320420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.320420 (E_RNA) where: Base-Base interactions energy: -1275.768 where: short stacking energy: -577.342 Base-Backbone interact. energy: -0.076 local terms energy: -601.475774 where: bonds (distance) C4'-P energy: -130.825 bonds (distance) P-C4' energy: -118.305 flat angles C4'-P-C4' energy: -114.577 flat angles P-C4'-P energy: -71.526 tors. eta vs tors. theta energy: -166.243 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: 5, replica: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1754.876115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.876115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.876115 (E_RNA) where: Base-Base interactions energy: -1180.981 where: short stacking energy: -495.338 Base-Backbone interact. energy: -0.134 local terms energy: -573.760767 where: bonds (distance) C4'-P energy: -105.332 bonds (distance) P-C4' energy: -119.733 flat angles C4'-P-C4' energy: -131.030 flat angles P-C4'-P energy: -73.318 tors. eta vs tors. theta energy: -144.348 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: 6, replica: 9 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1624.462740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.462740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.462740 (E_RNA) where: Base-Base interactions energy: -1116.389 where: short stacking energy: -502.221 Base-Backbone interact. energy: 2.393 local terms energy: -510.466008 where: bonds (distance) C4'-P energy: -83.166 bonds (distance) P-C4' energy: -106.871 flat angles C4'-P-C4' energy: -130.934 flat angles P-C4'-P energy: -57.553 tors. eta vs tors. theta energy: -131.942 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: 7, replica: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1362.976063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.976063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.976063 (E_RNA) where: Base-Base interactions energy: -900.217 where: short stacking energy: -383.255 Base-Backbone interact. energy: -1.091 local terms energy: -461.667336 where: bonds (distance) C4'-P energy: -93.041 bonds (distance) P-C4' energy: -106.698 flat angles C4'-P-C4' energy: -117.485 flat angles P-C4'-P energy: -63.100 tors. eta vs tors. theta energy: -81.343 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: 8, replica: 3 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1226.736604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.736604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.736604 (E_RNA) where: Base-Base interactions energy: -766.557 where: short stacking energy: -344.110 Base-Backbone interact. energy: -2.852 local terms energy: -457.327796 where: bonds (distance) C4'-P energy: -101.582 bonds (distance) P-C4' energy: -115.592 flat angles C4'-P-C4' energy: -108.327 flat angles P-C4'-P energy: -57.663 tors. eta vs tors. theta energy: -74.163 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: 9, replica: 2 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -990.236707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.236707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.236707 (E_RNA) where: Base-Base interactions energy: -595.863 where: short stacking energy: -257.457 Base-Backbone interact. energy: -1.393 local terms energy: -392.980839 where: bonds (distance) C4'-P energy: -102.132 bonds (distance) P-C4' energy: -111.738 flat angles C4'-P-C4' energy: -94.532 flat angles P-C4'-P energy: -62.096 tors. eta vs tors. theta energy: -22.483 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: 10, replica: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -754.424039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.424039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.424039 (E_RNA) where: Base-Base interactions energy: -386.167 where: short stacking energy: -214.775 Base-Backbone interact. energy: 1.576 local terms energy: -369.832740 where: bonds (distance) C4'-P energy: -98.335 bonds (distance) P-C4' energy: -95.880 flat angles C4'-P-C4' energy: -93.188 flat angles P-C4'-P energy: -64.287 tors. eta vs tors. theta energy: -18.142 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: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2225.012155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.012155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.012155 (E_RNA) where: Base-Base interactions energy: -1571.192 where: short stacking energy: -638.243 Base-Backbone interact. energy: -7.355 local terms energy: -646.465205 where: bonds (distance) C4'-P energy: -130.172 bonds (distance) P-C4' energy: -112.452 flat angles C4'-P-C4' energy: -138.492 flat angles P-C4'-P energy: -81.030 tors. eta vs tors. theta energy: -184.319 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: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2102.551389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.551389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.551389 (E_RNA) where: Base-Base interactions energy: -1434.845 where: short stacking energy: -635.863 Base-Backbone interact. energy: -0.800 local terms energy: -666.906262 where: bonds (distance) C4'-P energy: -116.244 bonds (distance) P-C4' energy: -121.273 flat angles C4'-P-C4' energy: -139.219 flat angles P-C4'-P energy: -97.314 tors. eta vs tors. theta energy: -192.856 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: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2072.989585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.989585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.989585 (E_RNA) where: Base-Base interactions energy: -1409.599 where: short stacking energy: -602.314 Base-Backbone interact. energy: -1.980 local terms energy: -661.409813 where: bonds (distance) C4'-P energy: -116.646 bonds (distance) P-C4' energy: -130.905 flat angles C4'-P-C4' energy: -138.105 flat angles P-C4'-P energy: -93.369 tors. eta vs tors. theta energy: -182.385 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: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1935.063820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.063820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.063820 (E_RNA) where: Base-Base interactions energy: -1336.003 where: short stacking energy: -569.910 Base-Backbone interact. energy: -4.271 local terms energy: -594.789284 where: bonds (distance) C4'-P energy: -103.377 bonds (distance) P-C4' energy: -107.074 flat angles C4'-P-C4' energy: -131.797 flat angles P-C4'-P energy: -85.018 tors. eta vs tors. theta energy: -167.523 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: 6 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1734.373415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.373415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.373415 (E_RNA) where: Base-Base interactions energy: -1180.030 where: short stacking energy: -503.254 Base-Backbone interact. energy: -2.062 local terms energy: -552.280910 where: bonds (distance) C4'-P energy: -105.240 bonds (distance) P-C4' energy: -109.409 flat angles C4'-P-C4' energy: -132.358 flat angles P-C4'-P energy: -71.611 tors. eta vs tors. theta energy: -133.663 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: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1617.604260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.604260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.604260 (E_RNA) where: Base-Base interactions energy: -1101.505 where: short stacking energy: -461.159 Base-Backbone interact. energy: -3.347 local terms energy: -512.752327 where: bonds (distance) C4'-P energy: -103.190 bonds (distance) P-C4' energy: -99.017 flat angles C4'-P-C4' energy: -115.452 flat angles P-C4'-P energy: -80.478 tors. eta vs tors. theta energy: -114.616 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: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1334.492527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.492527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.492527 (E_RNA) where: Base-Base interactions energy: -837.304 where: short stacking energy: -386.305 Base-Backbone interact. energy: -1.435 local terms energy: -495.753705 where: bonds (distance) C4'-P energy: -106.499 bonds (distance) P-C4' energy: -115.820 flat angles C4'-P-C4' energy: -111.369 flat angles P-C4'-P energy: -72.290 tors. eta vs tors. theta energy: -89.777 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: 8, replica: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1289.603289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.603289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.603289 (E_RNA) where: Base-Base interactions energy: -826.184 where: short stacking energy: -381.689 Base-Backbone interact. energy: -1.685 local terms energy: -461.734230 where: bonds (distance) C4'-P energy: -107.976 bonds (distance) P-C4' energy: -85.070 flat angles C4'-P-C4' energy: -120.698 flat angles P-C4'-P energy: -67.952 tors. eta vs tors. theta energy: -80.039 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: 9, replica: 2 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1057.189942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.189942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.189942 (E_RNA) where: Base-Base interactions energy: -668.271 where: short stacking energy: -309.147 Base-Backbone interact. energy: 1.624 local terms energy: -390.542623 where: bonds (distance) C4'-P energy: -94.273 bonds (distance) P-C4' energy: -97.340 flat angles C4'-P-C4' energy: -100.867 flat angles P-C4'-P energy: -55.459 tors. eta vs tors. theta energy: -42.605 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: 5 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -772.771790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.771790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.771790 (E_RNA) where: Base-Base interactions energy: -406.454 where: short stacking energy: -191.580 Base-Backbone interact. energy: 0.560 local terms energy: -366.877718 where: bonds (distance) C4'-P energy: -87.487 bonds (distance) P-C4' energy: -115.360 flat angles C4'-P-C4' energy: -100.022 flat angles P-C4'-P energy: -46.154 tors. eta vs tors. theta energy: -17.855 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: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2235.094071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.094071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.094071 (E_RNA) where: Base-Base interactions energy: -1560.259 where: short stacking energy: -627.174 Base-Backbone interact. energy: -5.855 local terms energy: -668.980655 where: bonds (distance) C4'-P energy: -122.158 bonds (distance) P-C4' energy: -131.204 flat angles C4'-P-C4' energy: -138.400 flat angles P-C4'-P energy: -100.845 tors. eta vs tors. theta energy: -176.374 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: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2121.131507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.131507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.131507 (E_RNA) where: Base-Base interactions energy: -1469.015 where: short stacking energy: -663.584 Base-Backbone interact. energy: -3.634 local terms energy: -648.482270 where: bonds (distance) C4'-P energy: -120.187 bonds (distance) P-C4' energy: -113.958 flat angles C4'-P-C4' energy: -137.117 flat angles P-C4'-P energy: -79.920 tors. eta vs tors. theta energy: -197.302 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: 10 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2073.846790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.846790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.846790 (E_RNA) where: Base-Base interactions energy: -1430.567 where: short stacking energy: -598.645 Base-Backbone interact. energy: -1.140 local terms energy: -642.139222 where: bonds (distance) C4'-P energy: -126.348 bonds (distance) P-C4' energy: -115.823 flat angles C4'-P-C4' energy: -132.707 flat angles P-C4'-P energy: -83.966 tors. eta vs tors. theta energy: -183.296 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: 4, replica: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1940.672880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.672880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.672880 (E_RNA) where: Base-Base interactions energy: -1290.752 where: short stacking energy: -553.265 Base-Backbone interact. energy: -3.147 local terms energy: -646.774189 where: bonds (distance) C4'-P energy: -126.215 bonds (distance) P-C4' energy: -125.330 flat angles C4'-P-C4' energy: -135.642 flat angles P-C4'-P energy: -92.913 tors. eta vs tors. theta energy: -166.674 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: 5, replica: 6 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1703.039682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.039682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.039682 (E_RNA) where: Base-Base interactions energy: -1158.357 where: short stacking energy: -520.553 Base-Backbone interact. energy: -3.328 local terms energy: -541.354262 where: bonds (distance) C4'-P energy: -112.906 bonds (distance) P-C4' energy: -105.143 flat angles C4'-P-C4' energy: -120.084 flat angles P-C4'-P energy: -72.053 tors. eta vs tors. theta energy: -131.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1545.694506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.694506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.694506 (E_RNA) where: Base-Base interactions energy: -1006.506 where: short stacking energy: -440.135 Base-Backbone interact. energy: -3.178 local terms energy: -536.010367 where: bonds (distance) C4'-P energy: -111.530 bonds (distance) P-C4' energy: -120.312 flat angles C4'-P-C4' energy: -113.983 flat angles P-C4'-P energy: -79.194 tors. eta vs tors. theta energy: -110.991 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: 7, replica: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1387.287712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.287712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.287712 (E_RNA) where: Base-Base interactions energy: -905.565 where: short stacking energy: -403.928 Base-Backbone interact. energy: -2.154 local terms energy: -479.567991 where: bonds (distance) C4'-P energy: -114.576 bonds (distance) P-C4' energy: -104.875 flat angles C4'-P-C4' energy: -107.301 flat angles P-C4'-P energy: -67.511 tors. eta vs tors. theta energy: -85.305 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: 3 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1258.529053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.529053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.529053 (E_RNA) where: Base-Base interactions energy: -786.822 where: short stacking energy: -363.388 Base-Backbone interact. energy: 0.992 local terms energy: -472.698645 where: bonds (distance) C4'-P energy: -109.290 bonds (distance) P-C4' energy: -117.461 flat angles C4'-P-C4' energy: -103.011 flat angles P-C4'-P energy: -56.440 tors. eta vs tors. theta energy: -86.497 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: 9, replica: 2 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -981.348262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.348262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.348262 (E_RNA) where: Base-Base interactions energy: -593.831 where: short stacking energy: -250.123 Base-Backbone interact. energy: -3.780 local terms energy: -383.736753 where: bonds (distance) C4'-P energy: -103.711 bonds (distance) P-C4' energy: -114.208 flat angles C4'-P-C4' energy: -98.969 flat angles P-C4'-P energy: -44.142 tors. eta vs tors. theta energy: -22.707 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: 10, replica: 5 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -756.452130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.452130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.452130 (E_RNA) where: Base-Base interactions energy: -374.549 where: short stacking energy: -212.470 Base-Backbone interact. energy: 4.987 local terms energy: -386.890792 where: bonds (distance) C4'-P energy: -96.192 bonds (distance) P-C4' energy: -114.368 flat angles C4'-P-C4' energy: -107.752 flat angles P-C4'-P energy: -49.543 tors. eta vs tors. theta energy: -19.037 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: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2206.721987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.721987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.721987 (E_RNA) where: Base-Base interactions energy: -1541.155 where: short stacking energy: -631.791 Base-Backbone interact. energy: -3.387 local terms energy: -662.179941 where: bonds (distance) C4'-P energy: -125.686 bonds (distance) P-C4' energy: -129.403 flat angles C4'-P-C4' energy: -142.783 flat angles P-C4'-P energy: -89.930 tors. eta vs tors. theta energy: -174.377 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: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2113.367704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.367704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.367704 (E_RNA) where: Base-Base interactions energy: -1419.410 where: short stacking energy: -622.763 Base-Backbone interact. energy: -1.257 local terms energy: -692.700020 where: bonds (distance) C4'-P energy: -132.757 bonds (distance) P-C4' energy: -110.233 flat angles C4'-P-C4' energy: -145.111 flat angles P-C4'-P energy: -111.157 tors. eta vs tors. theta energy: -193.443 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: 3, replica: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2071.507198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.507198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.507198 (E_RNA) where: Base-Base interactions energy: -1441.229 where: short stacking energy: -617.461 Base-Backbone interact. energy: -3.211 local terms energy: -627.067468 where: bonds (distance) C4'-P energy: -95.428 bonds (distance) P-C4' energy: -120.520 flat angles C4'-P-C4' energy: -144.435 flat angles P-C4'-P energy: -95.704 tors. eta vs tors. theta energy: -170.981 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: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1915.444551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.444551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.444551 (E_RNA) where: Base-Base interactions energy: -1306.650 where: short stacking energy: -577.188 Base-Backbone interact. energy: -2.918 local terms energy: -605.876402 where: bonds (distance) C4'-P energy: -106.876 bonds (distance) P-C4' energy: -108.146 flat angles C4'-P-C4' energy: -126.942 flat angles P-C4'-P energy: -95.210 tors. eta vs tors. theta energy: -168.702 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: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1714.238805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.238805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.238805 (E_RNA) where: Base-Base interactions energy: -1162.822 where: short stacking energy: -510.093 Base-Backbone interact. energy: -0.986 local terms energy: -550.429995 where: bonds (distance) C4'-P energy: -108.420 bonds (distance) P-C4' energy: -120.389 flat angles C4'-P-C4' energy: -123.627 flat angles P-C4'-P energy: -61.299 tors. eta vs tors. theta energy: -136.695 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: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1488.970672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.970672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.970672 (E_RNA) where: Base-Base interactions energy: -995.515 where: short stacking energy: -430.623 Base-Backbone interact. energy: -1.955 local terms energy: -491.501085 where: bonds (distance) C4'-P energy: -107.444 bonds (distance) P-C4' energy: -95.259 flat angles C4'-P-C4' energy: -112.749 flat angles P-C4'-P energy: -68.565 tors. eta vs tors. theta energy: -107.484 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: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1453.613010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.613010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.613010 (E_RNA) where: Base-Base interactions energy: -974.006 where: short stacking energy: -429.413 Base-Backbone interact. energy: 1.062 local terms energy: -480.669530 where: bonds (distance) C4'-P energy: -104.383 bonds (distance) P-C4' energy: -97.600 flat angles C4'-P-C4' energy: -108.754 flat angles P-C4'-P energy: -62.800 tors. eta vs tors. theta energy: -107.132 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: 8, replica: 3 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1264.662141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.662141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.662141 (E_RNA) where: Base-Base interactions energy: -791.029 where: short stacking energy: -333.227 Base-Backbone interact. energy: 3.030 local terms energy: -476.662988 where: bonds (distance) C4'-P energy: -119.248 bonds (distance) P-C4' energy: -106.858 flat angles C4'-P-C4' energy: -104.236 flat angles P-C4'-P energy: -63.517 tors. eta vs tors. theta energy: -82.805 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: 9, replica: 2 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1023.433809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.433809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.433809 (E_RNA) where: Base-Base interactions energy: -632.501 where: short stacking energy: -302.125 Base-Backbone interact. energy: 2.484 local terms energy: -393.417227 where: bonds (distance) C4'-P energy: -100.318 bonds (distance) P-C4' energy: -105.294 flat angles C4'-P-C4' energy: -108.387 flat angles P-C4'-P energy: -48.699 tors. eta vs tors. theta energy: -30.719 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: 5 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -739.180594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.180594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.180594 (E_RNA) where: Base-Base interactions energy: -398.164 where: short stacking energy: -227.629 Base-Backbone interact. energy: 2.192 local terms energy: -343.208716 where: bonds (distance) C4'-P energy: -82.067 bonds (distance) P-C4' energy: -111.651 flat angles C4'-P-C4' energy: -93.693 flat angles P-C4'-P energy: -55.607 tors. eta vs tors. theta energy: -0.190 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: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2187.590060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.590060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.590060 (E_RNA) where: Base-Base interactions energy: -1547.627 where: short stacking energy: -626.694 Base-Backbone interact. energy: -0.220 local terms energy: -639.742709 where: bonds (distance) C4'-P energy: -113.614 bonds (distance) P-C4' energy: -129.151 flat angles C4'-P-C4' energy: -140.294 flat angles P-C4'-P energy: -88.298 tors. eta vs tors. theta energy: -168.386 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: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2131.286076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.286076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.286076 (E_RNA) where: Base-Base interactions energy: -1438.877 where: short stacking energy: -631.878 Base-Backbone interact. energy: -5.180 local terms energy: -687.228799 where: bonds (distance) C4'-P energy: -123.690 bonds (distance) P-C4' energy: -136.716 flat angles C4'-P-C4' energy: -145.362 flat angles P-C4'-P energy: -99.597 tors. eta vs tors. theta energy: -181.863 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: 3, replica: 7 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2074.044944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.044944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.044944 (E_RNA) where: Base-Base interactions energy: -1420.851 where: short stacking energy: -619.444 Base-Backbone interact. energy: -4.712 local terms energy: -648.481807 where: bonds (distance) C4'-P energy: -121.250 bonds (distance) P-C4' energy: -89.580 flat angles C4'-P-C4' energy: -148.727 flat angles P-C4'-P energy: -89.558 tors. eta vs tors. theta energy: -199.367 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: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1868.463370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.463370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.463370 (E_RNA) where: Base-Base interactions energy: -1255.324 where: short stacking energy: -545.149 Base-Backbone interact. energy: 1.204 local terms energy: -614.343483 where: bonds (distance) C4'-P energy: -118.069 bonds (distance) P-C4' energy: -115.659 flat angles C4'-P-C4' energy: -142.167 flat angles P-C4'-P energy: -75.871 tors. eta vs tors. theta energy: -162.578 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: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1691.411562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.411562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.411562 (E_RNA) where: Base-Base interactions energy: -1141.574 where: short stacking energy: -472.828 Base-Backbone interact. energy: -1.855 local terms energy: -547.981894 where: bonds (distance) C4'-P energy: -107.817 bonds (distance) P-C4' energy: -111.663 flat angles C4'-P-C4' energy: -129.266 flat angles P-C4'-P energy: -84.647 tors. eta vs tors. theta energy: -114.588 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: 6, replica: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1456.646148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.646148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.646148 (E_RNA) where: Base-Base interactions energy: -920.777 where: short stacking energy: -444.700 Base-Backbone interact. energy: -1.606 local terms energy: -534.263715 where: bonds (distance) C4'-P energy: -111.600 bonds (distance) P-C4' energy: -120.365 flat angles C4'-P-C4' energy: -127.403 flat angles P-C4'-P energy: -74.037 tors. eta vs tors. theta energy: -100.860 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: 7, replica: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1452.058512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.058512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.058512 (E_RNA) where: Base-Base interactions energy: -909.403 where: short stacking energy: -412.981 Base-Backbone interact. energy: -0.446 local terms energy: -542.209286 where: bonds (distance) C4'-P energy: -119.386 bonds (distance) P-C4' energy: -110.678 flat angles C4'-P-C4' energy: -122.428 flat angles P-C4'-P energy: -75.208 tors. eta vs tors. theta energy: -114.510 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: 8, replica: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1240.914829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.914829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.914829 (E_RNA) where: Base-Base interactions energy: -794.576 where: short stacking energy: -356.588 Base-Backbone interact. energy: 10.282 local terms energy: -456.621256 where: bonds (distance) C4'-P energy: -90.146 bonds (distance) P-C4' energy: -124.930 flat angles C4'-P-C4' energy: -112.753 flat angles P-C4'-P energy: -48.917 tors. eta vs tors. theta energy: -79.875 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: 9, replica: 2 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1032.818910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.818910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.818910 (E_RNA) where: Base-Base interactions energy: -634.847 where: short stacking energy: -298.971 Base-Backbone interact. energy: -2.138 local terms energy: -395.834116 where: bonds (distance) C4'-P energy: -96.127 bonds (distance) P-C4' energy: -99.851 flat angles C4'-P-C4' energy: -94.881 flat angles P-C4'-P energy: -61.025 tors. eta vs tors. theta energy: -43.950 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: 10, replica: 5 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -750.237563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.237563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.237563 (E_RNA) where: Base-Base interactions energy: -406.945 where: short stacking energy: -213.822 Base-Backbone interact. energy: 0.575 local terms energy: -343.867800 where: bonds (distance) C4'-P energy: -95.700 bonds (distance) P-C4' energy: -89.253 flat angles C4'-P-C4' energy: -85.537 flat angles P-C4'-P energy: -52.258 tors. eta vs tors. theta energy: -21.119 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: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2201.059399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.059399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.059399 (E_RNA) where: Base-Base interactions energy: -1535.073 where: short stacking energy: -626.339 Base-Backbone interact. energy: -3.010 local terms energy: -662.976023 where: bonds (distance) C4'-P energy: -126.881 bonds (distance) P-C4' energy: -117.373 flat angles C4'-P-C4' energy: -144.148 flat angles P-C4'-P energy: -96.205 tors. eta vs tors. theta energy: -178.370 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: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2146.106025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.106025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.106025 (E_RNA) where: Base-Base interactions energy: -1468.963 where: short stacking energy: -633.441 Base-Backbone interact. energy: -2.332 local terms energy: -674.810849 where: bonds (distance) C4'-P energy: -107.656 bonds (distance) P-C4' energy: -139.725 flat angles C4'-P-C4' energy: -139.612 flat angles P-C4'-P energy: -98.820 tors. eta vs tors. theta energy: -188.998 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: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2023.310170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.310170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.310170 (E_RNA) where: Base-Base interactions energy: -1352.993 where: short stacking energy: -603.565 Base-Backbone interact. energy: 1.057 local terms energy: -671.373971 where: bonds (distance) C4'-P energy: -117.833 bonds (distance) P-C4' energy: -120.108 flat angles C4'-P-C4' energy: -140.124 flat angles P-C4'-P energy: -97.540 tors. eta vs tors. theta energy: -195.769 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: 4, replica: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1845.853686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.853686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.853686 (E_RNA) where: Base-Base interactions energy: -1260.925 where: short stacking energy: -539.960 Base-Backbone interact. energy: 6.204 local terms energy: -591.132867 where: bonds (distance) C4'-P energy: -107.796 bonds (distance) P-C4' energy: -119.785 flat angles C4'-P-C4' energy: -122.609 flat angles P-C4'-P energy: -79.815 tors. eta vs tors. theta energy: -161.128 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: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1723.990772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.990772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.990772 (E_RNA) where: Base-Base interactions energy: -1177.374 where: short stacking energy: -498.800 Base-Backbone interact. energy: -2.580 local terms energy: -544.036692 where: bonds (distance) C4'-P energy: -108.577 bonds (distance) P-C4' energy: -115.236 flat angles C4'-P-C4' energy: -132.950 flat angles P-C4'-P energy: -74.579 tors. eta vs tors. theta energy: -112.695 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: 9 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1488.166181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.166181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.166181 (E_RNA) where: Base-Base interactions energy: -958.137 where: short stacking energy: -447.873 Base-Backbone interact. energy: -0.629 local terms energy: -529.401003 where: bonds (distance) C4'-P energy: -93.889 bonds (distance) P-C4' energy: -124.978 flat angles C4'-P-C4' energy: -123.402 flat angles P-C4'-P energy: -70.324 tors. eta vs tors. theta energy: -116.808 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: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1404.182364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.182364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.182364 (E_RNA) where: Base-Base interactions energy: -925.015 where: short stacking energy: -400.036 Base-Backbone interact. energy: -0.768 local terms energy: -478.399966 where: bonds (distance) C4'-P energy: -95.429 bonds (distance) P-C4' energy: -106.923 flat angles C4'-P-C4' energy: -115.965 flat angles P-C4'-P energy: -71.532 tors. eta vs tors. theta energy: -88.551 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: 3 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1166.402603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.402603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.402603 (E_RNA) where: Base-Base interactions energy: -720.855 where: short stacking energy: -313.823 Base-Backbone interact. energy: -1.768 local terms energy: -443.778883 where: bonds (distance) C4'-P energy: -116.451 bonds (distance) P-C4' energy: -115.010 flat angles C4'-P-C4' energy: -108.931 flat angles P-C4'-P energy: -39.116 tors. eta vs tors. theta energy: -64.272 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: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -961.200360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.200360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.200360 (E_RNA) where: Base-Base interactions energy: -569.654 where: short stacking energy: -276.954 Base-Backbone interact. energy: 3.298 local terms energy: -394.844598 where: bonds (distance) C4'-P energy: -84.563 bonds (distance) P-C4' energy: -113.399 flat angles C4'-P-C4' energy: -94.428 flat angles P-C4'-P energy: -59.500 tors. eta vs tors. theta energy: -42.954 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: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -727.084684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.084684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.084684 (E_RNA) where: Base-Base interactions energy: -368.235 where: short stacking energy: -187.649 Base-Backbone interact. energy: 1.204 local terms energy: -360.053686 where: bonds (distance) C4'-P energy: -101.858 bonds (distance) P-C4' energy: -107.418 flat angles C4'-P-C4' energy: -83.674 flat angles P-C4'-P energy: -56.393 tors. eta vs tors. theta energy: -10.712 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: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2208.885800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.885800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.885800 (E_RNA) where: Base-Base interactions energy: -1545.908 where: short stacking energy: -627.489 Base-Backbone interact. energy: -1.049 local terms energy: -661.928119 where: bonds (distance) C4'-P energy: -120.092 bonds (distance) P-C4' energy: -127.711 flat angles C4'-P-C4' energy: -144.831 flat angles P-C4'-P energy: -90.734 tors. eta vs tors. theta energy: -178.559 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: 2, replica: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2138.886547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.886547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.886547 (E_RNA) where: Base-Base interactions energy: -1476.123 where: short stacking energy: -638.063 Base-Backbone interact. energy: -2.452 local terms energy: -660.311248 where: bonds (distance) C4'-P energy: -116.462 bonds (distance) P-C4' energy: -116.518 flat angles C4'-P-C4' energy: -145.229 flat angles P-C4'-P energy: -98.165 tors. eta vs tors. theta energy: -183.938 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: 3, replica: 7 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2058.368677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.368677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.368677 (E_RNA) where: Base-Base interactions energy: -1389.140 where: short stacking energy: -603.930 Base-Backbone interact. energy: -2.307 local terms energy: -666.922171 where: bonds (distance) C4'-P energy: -119.996 bonds (distance) P-C4' energy: -117.847 flat angles C4'-P-C4' energy: -150.089 flat angles P-C4'-P energy: -84.559 tors. eta vs tors. theta energy: -194.430 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: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1872.986159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.986159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.986159 (E_RNA) where: Base-Base interactions energy: -1297.112 where: short stacking energy: -544.790 Base-Backbone interact. energy: -2.816 local terms energy: -573.058295 where: bonds (distance) C4'-P energy: -102.913 bonds (distance) P-C4' energy: -109.049 flat angles C4'-P-C4' energy: -118.640 flat angles P-C4'-P energy: -92.083 tors. eta vs tors. theta energy: -150.373 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: 5, replica: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1735.974030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.974030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.974030 (E_RNA) where: Base-Base interactions energy: -1193.099 where: short stacking energy: -479.824 Base-Backbone interact. energy: -2.638 local terms energy: -540.237005 where: bonds (distance) C4'-P energy: -116.431 bonds (distance) P-C4' energy: -105.355 flat angles C4'-P-C4' energy: -130.274 flat angles P-C4'-P energy: -76.831 tors. eta vs tors. theta energy: -111.345 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: 6, replica: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1472.844881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.844881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.844881 (E_RNA) where: Base-Base interactions energy: -940.699 where: short stacking energy: -405.276 Base-Backbone interact. energy: -2.125 local terms energy: -530.021587 where: bonds (distance) C4'-P energy: -119.553 bonds (distance) P-C4' energy: -113.254 flat angles C4'-P-C4' energy: -126.431 flat angles P-C4'-P energy: -81.238 tors. eta vs tors. theta energy: -89.546 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: 9 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1396.565150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.565150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.565150 (E_RNA) where: Base-Base interactions energy: -903.187 where: short stacking energy: -415.294 Base-Backbone interact. energy: -1.858 local terms energy: -491.520110 where: bonds (distance) C4'-P energy: -102.602 bonds (distance) P-C4' energy: -108.351 flat angles C4'-P-C4' energy: -116.677 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: -95.546 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: 3 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1254.862079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.862079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.862079 (E_RNA) where: Base-Base interactions energy: -809.601 where: short stacking energy: -362.162 Base-Backbone interact. energy: 3.640 local terms energy: -448.901859 where: bonds (distance) C4'-P energy: -101.592 bonds (distance) P-C4' energy: -117.052 flat angles C4'-P-C4' energy: -101.490 flat angles P-C4'-P energy: -51.568 tors. eta vs tors. theta energy: -77.199 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: 2 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1059.544422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.544422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.544422 (E_RNA) where: Base-Base interactions energy: -687.624 where: short stacking energy: -330.193 Base-Backbone interact. energy: 3.252 local terms energy: -375.172465 where: bonds (distance) C4'-P energy: -89.374 bonds (distance) P-C4' energy: -101.392 flat angles C4'-P-C4' energy: -83.876 flat angles P-C4'-P energy: -66.377 tors. eta vs tors. theta energy: -34.154 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: 10, replica: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -755.120063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.120063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.120063 (E_RNA) where: Base-Base interactions energy: -401.812 where: short stacking energy: -193.557 Base-Backbone interact. energy: -3.414 local terms energy: -349.894764 where: bonds (distance) C4'-P energy: -116.216 bonds (distance) P-C4' energy: -104.185 flat angles C4'-P-C4' energy: -67.467 flat angles P-C4'-P energy: -64.104 tors. eta vs tors. theta energy: 2.077 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: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2193.947846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.947846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.947846 (E_RNA) where: Base-Base interactions energy: -1528.072 where: short stacking energy: -616.460 Base-Backbone interact. energy: -1.411 local terms energy: -664.465739 where: bonds (distance) C4'-P energy: -129.863 bonds (distance) P-C4' energy: -136.797 flat angles C4'-P-C4' energy: -139.995 flat angles P-C4'-P energy: -88.699 tors. eta vs tors. theta energy: -169.111 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: 10 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2158.439786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.439786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.439786 (E_RNA) where: Base-Base interactions energy: -1486.424 where: short stacking energy: -640.823 Base-Backbone interact. energy: 1.829 local terms energy: -673.845306 where: bonds (distance) C4'-P energy: -118.112 bonds (distance) P-C4' energy: -114.142 flat angles C4'-P-C4' energy: -147.864 flat angles P-C4'-P energy: -99.249 tors. eta vs tors. theta energy: -194.477 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: 3, replica: 7 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2030.160499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.160499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.160499 (E_RNA) where: Base-Base interactions energy: -1391.596 where: short stacking energy: -629.425 Base-Backbone interact. energy: -2.939 local terms energy: -635.625099 where: bonds (distance) C4'-P energy: -103.317 bonds (distance) P-C4' energy: -123.678 flat angles C4'-P-C4' energy: -133.168 flat angles P-C4'-P energy: -89.701 tors. eta vs tors. theta energy: -185.762 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: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1894.639179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.639179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.639179 (E_RNA) where: Base-Base interactions energy: -1286.623 where: short stacking energy: -551.250 Base-Backbone interact. energy: 0.493 local terms energy: -608.509499 where: bonds (distance) C4'-P energy: -112.466 bonds (distance) P-C4' energy: -117.655 flat angles C4'-P-C4' energy: -128.129 flat angles P-C4'-P energy: -84.850 tors. eta vs tors. theta energy: -165.409 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: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1698.911491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.911491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.911491 (E_RNA) where: Base-Base interactions energy: -1178.577 where: short stacking energy: -469.342 Base-Backbone interact. energy: -1.639 local terms energy: -518.695743 where: bonds (distance) C4'-P energy: -96.856 bonds (distance) P-C4' energy: -103.636 flat angles C4'-P-C4' energy: -128.957 flat angles P-C4'-P energy: -76.340 tors. eta vs tors. theta energy: -112.906 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: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1467.054224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.054224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.054224 (E_RNA) where: Base-Base interactions energy: -942.190 where: short stacking energy: -411.012 Base-Backbone interact. energy: 3.752 local terms energy: -528.616012 where: bonds (distance) C4'-P energy: -111.767 bonds (distance) P-C4' energy: -117.238 flat angles C4'-P-C4' energy: -114.279 flat angles P-C4'-P energy: -86.148 tors. eta vs tors. theta energy: -99.183 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: 7, replica: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1422.421485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.421485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.421485 (E_RNA) where: Base-Base interactions energy: -920.128 where: short stacking energy: -417.788 Base-Backbone interact. energy: 1.295 local terms energy: -503.588031 where: bonds (distance) C4'-P energy: -93.040 bonds (distance) P-C4' energy: -101.815 flat angles C4'-P-C4' energy: -120.239 flat angles P-C4'-P energy: -79.793 tors. eta vs tors. theta energy: -108.701 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: 8, replica: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1231.516446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.516446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.516446 (E_RNA) where: Base-Base interactions energy: -785.480 where: short stacking energy: -365.001 Base-Backbone interact. energy: -1.132 local terms energy: -444.904227 where: bonds (distance) C4'-P energy: -101.145 bonds (distance) P-C4' energy: -106.967 flat angles C4'-P-C4' energy: -106.372 flat angles P-C4'-P energy: -55.596 tors. eta vs tors. theta energy: -74.824 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: 2 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1009.761135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.761135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.761135 (E_RNA) where: Base-Base interactions energy: -653.285 where: short stacking energy: -292.198 Base-Backbone interact. energy: 1.240 local terms energy: -357.715755 where: bonds (distance) C4'-P energy: -93.729 bonds (distance) P-C4' energy: -104.213 flat angles C4'-P-C4' energy: -90.418 flat angles P-C4'-P energy: -30.251 tors. eta vs tors. theta energy: -39.106 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: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -740.725631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.725631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.725631 (E_RNA) where: Base-Base interactions energy: -366.465 where: short stacking energy: -188.078 Base-Backbone interact. energy: 2.723 local terms energy: -376.983831 where: bonds (distance) C4'-P energy: -106.182 bonds (distance) P-C4' energy: -123.034 flat angles C4'-P-C4' energy: -92.099 flat angles P-C4'-P energy: -59.497 tors. eta vs tors. theta energy: 3.827 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: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2218.787659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.787659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.787659 (E_RNA) where: Base-Base interactions energy: -1544.368 where: short stacking energy: -628.670 Base-Backbone interact. energy: -4.464 local terms energy: -669.955530 where: bonds (distance) C4'-P energy: -123.490 bonds (distance) P-C4' energy: -132.703 flat angles C4'-P-C4' energy: -140.550 flat angles P-C4'-P energy: -92.467 tors. eta vs tors. theta energy: -180.745 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: 10 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2176.477812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.477812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.477812 (E_RNA) where: Base-Base interactions energy: -1494.250 where: short stacking energy: -646.026 Base-Backbone interact. energy: -1.179 local terms energy: -681.048632 where: bonds (distance) C4'-P energy: -122.479 bonds (distance) P-C4' energy: -117.237 flat angles C4'-P-C4' energy: -142.270 flat angles P-C4'-P energy: -106.500 tors. eta vs tors. theta energy: -192.563 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: 3, replica: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2030.370522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.370522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.370522 (E_RNA) where: Base-Base interactions energy: -1402.919 where: short stacking energy: -627.254 Base-Backbone interact. energy: -1.181 local terms energy: -626.270765 where: bonds (distance) C4'-P energy: -104.368 bonds (distance) P-C4' energy: -109.862 flat angles C4'-P-C4' energy: -132.672 flat angles P-C4'-P energy: -90.794 tors. eta vs tors. theta energy: -188.574 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: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1924.853211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.853211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.853211 (E_RNA) where: Base-Base interactions energy: -1307.276 where: short stacking energy: -585.019 Base-Backbone interact. energy: 0.455 local terms energy: -618.032056 where: bonds (distance) C4'-P energy: -101.240 bonds (distance) P-C4' energy: -117.669 flat angles C4'-P-C4' energy: -144.723 flat angles P-C4'-P energy: -90.581 tors. eta vs tors. theta energy: -163.818 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: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1716.011034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.011034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.011034 (E_RNA) where: Base-Base interactions energy: -1166.543 where: short stacking energy: -485.434 Base-Backbone interact. energy: -2.620 local terms energy: -546.848867 where: bonds (distance) C4'-P energy: -109.913 bonds (distance) P-C4' energy: -104.725 flat angles C4'-P-C4' energy: -130.195 flat angles P-C4'-P energy: -86.892 tors. eta vs tors. theta energy: -115.124 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: 257 Temperature: 1.150000 Total energy: -1493.421180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.421180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.421180 (E_RNA) where: Base-Base interactions energy: -984.503 where: short stacking energy: -458.401 Base-Backbone interact. energy: 1.035 local terms energy: -509.952716 where: bonds (distance) C4'-P energy: -113.433 bonds (distance) P-C4' energy: -109.358 flat angles C4'-P-C4' energy: -103.788 flat angles P-C4'-P energy: -64.816 tors. eta vs tors. theta energy: -118.558 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: 7, replica: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1408.359258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.359258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.359258 (E_RNA) where: Base-Base interactions energy: -945.660 where: short stacking energy: -423.425 Base-Backbone interact. energy: 2.646 local terms energy: -465.345384 where: bonds (distance) C4'-P energy: -95.556 bonds (distance) P-C4' energy: -115.839 flat angles C4'-P-C4' energy: -94.253 flat angles P-C4'-P energy: -56.745 tors. eta vs tors. theta energy: -102.952 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: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1258.249076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.249076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.249076 (E_RNA) where: Base-Base interactions energy: -765.255 where: short stacking energy: -355.507 Base-Backbone interact. energy: -4.495 local terms energy: -488.499157 where: bonds (distance) C4'-P energy: -116.828 bonds (distance) P-C4' energy: -99.101 flat angles C4'-P-C4' energy: -113.856 flat angles P-C4'-P energy: -72.001 tors. eta vs tors. theta energy: -86.713 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: 9, replica: 2 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -975.517832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.517832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.517832 (E_RNA) where: Base-Base interactions energy: -584.200 where: short stacking energy: -269.619 Base-Backbone interact. energy: 0.822 local terms energy: -392.140320 where: bonds (distance) C4'-P energy: -96.322 bonds (distance) P-C4' energy: -104.767 flat angles C4'-P-C4' energy: -114.222 flat angles P-C4'-P energy: -29.862 tors. eta vs tors. theta energy: -46.968 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: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -801.489192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.489192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.489192 (E_RNA) where: Base-Base interactions energy: -480.730 where: short stacking energy: -259.354 Base-Backbone interact. energy: 4.634 local terms energy: -325.393934 where: bonds (distance) C4'-P energy: -95.487 bonds (distance) P-C4' energy: -98.668 flat angles C4'-P-C4' energy: -74.054 flat angles P-C4'-P energy: -46.650 tors. eta vs tors. theta energy: -10.535 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: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2221.276822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.276822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.276822 (E_RNA) where: Base-Base interactions energy: -1553.140 where: short stacking energy: -618.946 Base-Backbone interact. energy: -2.298 local terms energy: -665.838646 where: bonds (distance) C4'-P energy: -124.390 bonds (distance) P-C4' energy: -123.935 flat angles C4'-P-C4' energy: -140.528 flat angles P-C4'-P energy: -96.926 tors. eta vs tors. theta energy: -180.060 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: 2, replica: 10 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2141.145935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.145935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.145935 (E_RNA) where: Base-Base interactions energy: -1485.049 where: short stacking energy: -642.208 Base-Backbone interact. energy: 0.687 local terms energy: -656.783842 where: bonds (distance) C4'-P energy: -114.568 bonds (distance) P-C4' energy: -115.297 flat angles C4'-P-C4' energy: -149.840 flat angles P-C4'-P energy: -93.367 tors. eta vs tors. theta energy: -183.712 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: 7 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2015.106557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.106557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.106557 (E_RNA) where: Base-Base interactions energy: -1367.084 where: short stacking energy: -595.484 Base-Backbone interact. energy: -1.407 local terms energy: -646.616129 where: bonds (distance) C4'-P energy: -112.980 bonds (distance) P-C4' energy: -116.433 flat angles C4'-P-C4' energy: -147.441 flat angles P-C4'-P energy: -91.933 tors. eta vs tors. theta energy: -177.830 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: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1885.440114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.440114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.440114 (E_RNA) where: Base-Base interactions energy: -1282.415 where: short stacking energy: -567.723 Base-Backbone interact. energy: -2.610 local terms energy: -600.414395 where: bonds (distance) C4'-P energy: -105.035 bonds (distance) P-C4' energy: -114.609 flat angles C4'-P-C4' energy: -137.309 flat angles P-C4'-P energy: -89.783 tors. eta vs tors. theta energy: -153.678 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: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1711.630793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.630793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.630793 (E_RNA) where: Base-Base interactions energy: -1171.643 where: short stacking energy: -490.335 Base-Backbone interact. energy: -1.782 local terms energy: -538.206116 where: bonds (distance) C4'-P energy: -122.287 bonds (distance) P-C4' energy: -107.137 flat angles C4'-P-C4' energy: -128.375 flat angles P-C4'-P energy: -67.304 tors. eta vs tors. theta energy: -113.103 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: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1405.074145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.074145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.074145 (E_RNA) where: Base-Base interactions energy: -889.111 where: short stacking energy: -388.082 Base-Backbone interact. energy: -0.633 local terms energy: -515.329868 where: bonds (distance) C4'-P energy: -120.362 bonds (distance) P-C4' energy: -110.300 flat angles C4'-P-C4' energy: -118.309 flat angles P-C4'-P energy: -68.665 tors. eta vs tors. theta energy: -97.694 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: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1393.825552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.825552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.825552 (E_RNA) where: Base-Base interactions energy: -880.204 where: short stacking energy: -413.622 Base-Backbone interact. energy: -0.279 local terms energy: -513.341844 where: bonds (distance) C4'-P energy: -105.116 bonds (distance) P-C4' energy: -97.866 flat angles C4'-P-C4' energy: -128.944 flat angles P-C4'-P energy: -71.972 tors. eta vs tors. theta energy: -109.444 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: 8, replica: 3 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1208.351796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.351796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.351796 (E_RNA) where: Base-Base interactions energy: -767.815 where: short stacking energy: -341.638 Base-Backbone interact. energy: -1.932 local terms energy: -438.604712 where: bonds (distance) C4'-P energy: -91.288 bonds (distance) P-C4' energy: -125.179 flat angles C4'-P-C4' energy: -104.465 flat angles P-C4'-P energy: -57.270 tors. eta vs tors. theta energy: -60.403 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: 9, replica: 2 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -952.017513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.017513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.017513 (E_RNA) where: Base-Base interactions energy: -567.717 where: short stacking energy: -270.867 Base-Backbone interact. energy: 3.916 local terms energy: -388.216897 where: bonds (distance) C4'-P energy: -104.139 bonds (distance) P-C4' energy: -114.647 flat angles C4'-P-C4' energy: -67.814 flat angles P-C4'-P energy: -68.354 tors. eta vs tors. theta energy: -33.263 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: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -836.691598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.691598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.691598 (E_RNA) where: Base-Base interactions energy: -492.593 where: short stacking energy: -219.054 Base-Backbone interact. energy: -2.057 local terms energy: -342.041401 where: bonds (distance) C4'-P energy: -99.145 bonds (distance) P-C4' energy: -98.508 flat angles C4'-P-C4' energy: -88.919 flat angles P-C4'-P energy: -62.665 tors. eta vs tors. theta energy: 7.196 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: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2239.282651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.282651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.282651 (E_RNA) where: Base-Base interactions energy: -1571.607 where: short stacking energy: -631.481 Base-Backbone interact. energy: -2.345 local terms energy: -665.331073 where: bonds (distance) C4'-P energy: -112.729 bonds (distance) P-C4' energy: -127.274 flat angles C4'-P-C4' energy: -142.408 flat angles P-C4'-P energy: -109.247 tors. eta vs tors. theta energy: -173.674 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: 259 Temperature: 0.950000 Total energy: -2122.871274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.871274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.871274 (E_RNA) where: Base-Base interactions energy: -1450.446 where: short stacking energy: -622.190 Base-Backbone interact. energy: -2.959 local terms energy: -669.466428 where: bonds (distance) C4'-P energy: -120.688 bonds (distance) P-C4' energy: -130.192 flat angles C4'-P-C4' energy: -140.988 flat angles P-C4'-P energy: -90.686 tors. eta vs tors. theta energy: -186.912 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: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2075.750069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.750069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.750069 (E_RNA) where: Base-Base interactions energy: -1419.723 where: short stacking energy: -597.377 Base-Backbone interact. energy: -1.947 local terms energy: -654.079811 where: bonds (distance) C4'-P energy: -109.390 bonds (distance) P-C4' energy: -122.288 flat angles C4'-P-C4' energy: -136.843 flat angles P-C4'-P energy: -98.356 tors. eta vs tors. theta energy: -187.203 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: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1917.326985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.326985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.326985 (E_RNA) where: Base-Base interactions energy: -1305.929 where: short stacking energy: -558.459 Base-Backbone interact. energy: 0.127 local terms energy: -611.525414 where: bonds (distance) C4'-P energy: -121.701 bonds (distance) P-C4' energy: -116.512 flat angles C4'-P-C4' energy: -133.007 flat angles P-C4'-P energy: -87.942 tors. eta vs tors. theta energy: -152.364 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: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1663.363024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.363024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.363024 (E_RNA) where: Base-Base interactions energy: -1117.491 where: short stacking energy: -456.936 Base-Backbone interact. energy: -1.654 local terms energy: -544.217653 where: bonds (distance) C4'-P energy: -121.627 bonds (distance) P-C4' energy: -111.653 flat angles C4'-P-C4' energy: -132.494 flat angles P-C4'-P energy: -74.286 tors. eta vs tors. theta energy: -104.158 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: 6, replica: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1464.320756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.320756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.320756 (E_RNA) where: Base-Base interactions energy: -933.378 where: short stacking energy: -431.979 Base-Backbone interact. energy: -3.750 local terms energy: -527.192652 where: bonds (distance) C4'-P energy: -108.920 bonds (distance) P-C4' energy: -119.738 flat angles C4'-P-C4' energy: -138.626 flat angles P-C4'-P energy: -56.337 tors. eta vs tors. theta energy: -103.572 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: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1360.388342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.388342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.388342 (E_RNA) where: Base-Base interactions energy: -875.345 where: short stacking energy: -404.083 Base-Backbone interact. energy: -0.518 local terms energy: -484.525037 where: bonds (distance) C4'-P energy: -101.423 bonds (distance) P-C4' energy: -86.835 flat angles C4'-P-C4' energy: -119.820 flat angles P-C4'-P energy: -75.158 tors. eta vs tors. theta energy: -101.289 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: 8, replica: 3 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1109.281606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.281606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.281606 (E_RNA) where: Base-Base interactions energy: -690.668 where: short stacking energy: -314.351 Base-Backbone interact. energy: -1.688 local terms energy: -416.925959 where: bonds (distance) C4'-P energy: -103.023 bonds (distance) P-C4' energy: -106.460 flat angles C4'-P-C4' energy: -97.882 flat angles P-C4'-P energy: -59.094 tors. eta vs tors. theta energy: -50.467 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: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -874.974850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.974850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.974850 (E_RNA) where: Base-Base interactions energy: -480.403 where: short stacking energy: -256.716 Base-Backbone interact. energy: -1.673 local terms energy: -392.899379 where: bonds (distance) C4'-P energy: -106.661 bonds (distance) P-C4' energy: -113.651 flat angles C4'-P-C4' energy: -100.067 flat angles P-C4'-P energy: -49.768 tors. eta vs tors. theta energy: -22.753 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: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -794.653646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.653646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.653646 (E_RNA) where: Base-Base interactions energy: -442.152 where: short stacking energy: -229.684 Base-Backbone interact. energy: 2.420 local terms energy: -354.921830 where: bonds (distance) C4'-P energy: -84.978 bonds (distance) P-C4' energy: -107.805 flat angles C4'-P-C4' energy: -85.928 flat angles P-C4'-P energy: -48.230 tors. eta vs tors. theta energy: -27.980 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: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2218.000719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.000719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.000719 (E_RNA) where: Base-Base interactions energy: -1566.433 where: short stacking energy: -635.329 Base-Backbone interact. energy: -4.799 local terms energy: -646.768861 where: bonds (distance) C4'-P energy: -112.485 bonds (distance) P-C4' energy: -122.003 flat angles C4'-P-C4' energy: -146.459 flat angles P-C4'-P energy: -92.263 tors. eta vs tors. theta energy: -173.559 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: 2, replica: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2145.440152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.440152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.440152 (E_RNA) where: Base-Base interactions energy: -1488.361 where: short stacking energy: -655.859 Base-Backbone interact. energy: -1.449 local terms energy: -655.630478 where: bonds (distance) C4'-P energy: -107.280 bonds (distance) P-C4' energy: -133.314 flat angles C4'-P-C4' energy: -137.500 flat angles P-C4'-P energy: -84.677 tors. eta vs tors. theta energy: -192.859 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: 3, replica: 7 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2034.663234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.663234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.663234 (E_RNA) where: Base-Base interactions energy: -1380.222 where: short stacking energy: -606.061 Base-Backbone interact. energy: -1.823 local terms energy: -652.618812 where: bonds (distance) C4'-P energy: -119.933 bonds (distance) P-C4' energy: -129.108 flat angles C4'-P-C4' energy: -123.256 flat angles P-C4'-P energy: -92.544 tors. eta vs tors. theta energy: -187.778 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: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1913.935379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.935379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.935379 (E_RNA) where: Base-Base interactions energy: -1302.847 where: short stacking energy: -552.836 Base-Backbone interact. energy: -0.295 local terms energy: -610.792854 where: bonds (distance) C4'-P energy: -125.439 bonds (distance) P-C4' energy: -117.417 flat angles C4'-P-C4' energy: -128.476 flat angles P-C4'-P energy: -79.592 tors. eta vs tors. theta energy: -159.870 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: 5, replica: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1682.277278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.277278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.277278 (E_RNA) where: Base-Base interactions energy: -1138.454 where: short stacking energy: -489.182 Base-Backbone interact. energy: 2.972 local terms energy: -546.795330 where: bonds (distance) C4'-P energy: -106.515 bonds (distance) P-C4' energy: -115.257 flat angles C4'-P-C4' energy: -123.983 flat angles P-C4'-P energy: -61.147 tors. eta vs tors. theta energy: -139.894 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: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1530.829443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.829443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.829443 (E_RNA) where: Base-Base interactions energy: -1009.988 where: short stacking energy: -456.596 Base-Backbone interact. energy: 2.657 local terms energy: -523.498659 where: bonds (distance) C4'-P energy: -113.394 bonds (distance) P-C4' energy: -109.154 flat angles C4'-P-C4' energy: -118.132 flat angles P-C4'-P energy: -53.239 tors. eta vs tors. theta energy: -129.580 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: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1342.081130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.081130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.081130 (E_RNA) where: Base-Base interactions energy: -846.536 where: short stacking energy: -386.161 Base-Backbone interact. energy: -0.251 local terms energy: -495.294670 where: bonds (distance) C4'-P energy: -84.381 bonds (distance) P-C4' energy: -118.388 flat angles C4'-P-C4' energy: -123.696 flat angles P-C4'-P energy: -70.809 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: 8, replica: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1060.919464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.919464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.919464 (E_RNA) where: Base-Base interactions energy: -632.511 where: short stacking energy: -306.258 Base-Backbone interact. energy: -1.816 local terms energy: -426.592356 where: bonds (distance) C4'-P energy: -104.989 bonds (distance) P-C4' energy: -122.603 flat angles C4'-P-C4' energy: -91.046 flat angles P-C4'-P energy: -57.830 tors. eta vs tors. theta energy: -50.123 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: 9, replica: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -915.365046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.365046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.365046 (E_RNA) where: Base-Base interactions energy: -548.446 where: short stacking energy: -256.418 Base-Backbone interact. energy: 2.655 local terms energy: -369.573231 where: bonds (distance) C4'-P energy: -92.942 bonds (distance) P-C4' energy: -99.791 flat angles C4'-P-C4' energy: -108.941 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -15.381 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: 10, replica: 5 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -799.716881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.716881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.716881 (E_RNA) where: Base-Base interactions energy: -472.132 where: short stacking energy: -232.420 Base-Backbone interact. energy: 3.035 local terms energy: -330.619590 where: bonds (distance) C4'-P energy: -73.490 bonds (distance) P-C4' energy: -106.757 flat angles C4'-P-C4' energy: -88.859 flat angles P-C4'-P energy: -47.614 tors. eta vs tors. theta energy: -13.899 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: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2196.810272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.810272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.810272 (E_RNA) where: Base-Base interactions energy: -1537.023 where: short stacking energy: -624.954 Base-Backbone interact. energy: -1.658 local terms energy: -658.128889 where: bonds (distance) C4'-P energy: -121.234 bonds (distance) P-C4' energy: -123.825 flat angles C4'-P-C4' energy: -143.630 flat angles P-C4'-P energy: -89.541 tors. eta vs tors. theta energy: -179.899 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: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2157.574017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.574017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.574017 (E_RNA) where: Base-Base interactions energy: -1463.912 where: short stacking energy: -675.778 Base-Backbone interact. energy: -5.093 local terms energy: -688.568891 where: bonds (distance) C4'-P energy: -123.042 bonds (distance) P-C4' energy: -123.931 flat angles C4'-P-C4' energy: -141.935 flat angles P-C4'-P energy: -100.875 tors. eta vs tors. theta energy: -198.786 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: 3, replica: 7 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2024.589233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.589233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.589233 (E_RNA) where: Base-Base interactions energy: -1386.271 where: short stacking energy: -592.700 Base-Backbone interact. energy: 1.643 local terms energy: -639.960912 where: bonds (distance) C4'-P energy: -108.939 bonds (distance) P-C4' energy: -126.708 flat angles C4'-P-C4' energy: -129.661 flat angles P-C4'-P energy: -94.806 tors. eta vs tors. theta energy: -179.847 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: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1910.264299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.264299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.264299 (E_RNA) where: Base-Base interactions energy: -1315.151 where: short stacking energy: -547.076 Base-Backbone interact. energy: 0.136 local terms energy: -595.249245 where: bonds (distance) C4'-P energy: -105.967 bonds (distance) P-C4' energy: -114.970 flat angles C4'-P-C4' energy: -140.301 flat angles P-C4'-P energy: -79.835 tors. eta vs tors. theta energy: -154.175 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: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1746.504372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.504372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.504372 (E_RNA) where: Base-Base interactions energy: -1192.551 where: short stacking energy: -501.148 Base-Backbone interact. energy: -4.418 local terms energy: -549.535371 where: bonds (distance) C4'-P energy: -103.678 bonds (distance) P-C4' energy: -119.551 flat angles C4'-P-C4' energy: -124.209 flat angles P-C4'-P energy: -71.581 tors. eta vs tors. theta energy: -130.516 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: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1530.453182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.453182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.453182 (E_RNA) where: Base-Base interactions energy: -1002.954 where: short stacking energy: -446.868 Base-Backbone interact. energy: -2.060 local terms energy: -525.439326 where: bonds (distance) C4'-P energy: -100.825 bonds (distance) P-C4' energy: -119.165 flat angles C4'-P-C4' energy: -123.118 flat angles P-C4'-P energy: -74.775 tors. eta vs tors. theta energy: -107.556 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: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1345.667341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.667341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.667341 (E_RNA) where: Base-Base interactions energy: -835.187 where: short stacking energy: -385.470 Base-Backbone interact. energy: -1.312 local terms energy: -509.168486 where: bonds (distance) C4'-P energy: -111.308 bonds (distance) P-C4' energy: -117.354 flat angles C4'-P-C4' energy: -109.802 flat angles P-C4'-P energy: -78.252 tors. eta vs tors. theta energy: -92.451 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: 8, replica: 3 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1102.822979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.822979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.822979 (E_RNA) where: Base-Base interactions energy: -633.441 where: short stacking energy: -314.645 Base-Backbone interact. energy: 2.309 local terms energy: -471.690769 where: bonds (distance) C4'-P energy: -107.283 bonds (distance) P-C4' energy: -111.546 flat angles C4'-P-C4' energy: -116.562 flat angles P-C4'-P energy: -69.506 tors. eta vs tors. theta energy: -66.795 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: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -953.487955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.487955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.487955 (E_RNA) where: Base-Base interactions energy: -568.381 where: short stacking energy: -280.804 Base-Backbone interact. energy: -2.390 local terms energy: -382.716547 where: bonds (distance) C4'-P energy: -104.969 bonds (distance) P-C4' energy: -108.023 flat angles C4'-P-C4' energy: -93.817 flat angles P-C4'-P energy: -43.097 tors. eta vs tors. theta energy: -32.810 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: 10, replica: 5 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -809.693152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.693152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.693152 (E_RNA) where: Base-Base interactions energy: -449.461 where: short stacking energy: -237.415 Base-Backbone interact. energy: -0.367 local terms energy: -359.864652 where: bonds (distance) C4'-P energy: -103.287 bonds (distance) P-C4' energy: -108.673 flat angles C4'-P-C4' energy: -73.709 flat angles P-C4'-P energy: -55.602 tors. eta vs tors. theta energy: -18.594 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: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2161.949739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.949739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.949739 (E_RNA) where: Base-Base interactions energy: -1505.851 where: short stacking energy: -619.075 Base-Backbone interact. energy: 0.550 local terms energy: -656.648804 where: bonds (distance) C4'-P energy: -123.295 bonds (distance) P-C4' energy: -118.095 flat angles C4'-P-C4' energy: -146.874 flat angles P-C4'-P energy: -96.369 tors. eta vs tors. theta energy: -172.016 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: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2144.592215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.592215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.592215 (E_RNA) where: Base-Base interactions energy: -1476.433 where: short stacking energy: -631.380 Base-Backbone interact. energy: -1.978 local terms energy: -666.180900 where: bonds (distance) C4'-P energy: -112.084 bonds (distance) P-C4' energy: -125.543 flat angles C4'-P-C4' energy: -139.475 flat angles P-C4'-P energy: -94.262 tors. eta vs tors. theta energy: -194.816 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: 7 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2059.161914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.161914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.161914 (E_RNA) where: Base-Base interactions energy: -1395.475 where: short stacking energy: -591.194 Base-Backbone interact. energy: -3.201 local terms energy: -660.485700 where: bonds (distance) C4'-P energy: -117.119 bonds (distance) P-C4' energy: -125.487 flat angles C4'-P-C4' energy: -139.486 flat angles P-C4'-P energy: -96.661 tors. eta vs tors. theta energy: -181.734 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: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1918.153202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.153202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.153202 (E_RNA) where: Base-Base interactions energy: -1318.292 where: short stacking energy: -542.461 Base-Backbone interact. energy: -0.037 local terms energy: -599.824197 where: bonds (distance) C4'-P energy: -120.550 bonds (distance) P-C4' energy: -125.799 flat angles C4'-P-C4' energy: -128.228 flat angles P-C4'-P energy: -73.555 tors. eta vs tors. theta energy: -151.692 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: 5, replica: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1751.611025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.611025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.611025 (E_RNA) where: Base-Base interactions energy: -1184.774 where: short stacking energy: -493.854 Base-Backbone interact. energy: -2.246 local terms energy: -564.591008 where: bonds (distance) C4'-P energy: -107.575 bonds (distance) P-C4' energy: -121.094 flat angles C4'-P-C4' energy: -131.755 flat angles P-C4'-P energy: -72.789 tors. eta vs tors. theta energy: -131.378 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: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1620.005342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.005342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.005342 (E_RNA) where: Base-Base interactions energy: -1083.751 where: short stacking energy: -474.860 Base-Backbone interact. energy: -0.029 local terms energy: -536.225549 where: bonds (distance) C4'-P energy: -90.196 bonds (distance) P-C4' energy: -118.142 flat angles C4'-P-C4' energy: -121.197 flat angles P-C4'-P energy: -77.731 tors. eta vs tors. theta energy: -128.960 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: 7, replica: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1275.714572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.714572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.714572 (E_RNA) where: Base-Base interactions energy: -802.510 where: short stacking energy: -381.044 Base-Backbone interact. energy: -4.005 local terms energy: -469.198906 where: bonds (distance) C4'-P energy: -105.346 bonds (distance) P-C4' energy: -103.827 flat angles C4'-P-C4' energy: -104.557 flat angles P-C4'-P energy: -66.069 tors. eta vs tors. theta energy: -89.401 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: 8, replica: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1085.611904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.611904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.611904 (E_RNA) where: Base-Base interactions energy: -665.996 where: short stacking energy: -338.187 Base-Backbone interact. energy: -2.675 local terms energy: -416.941149 where: bonds (distance) C4'-P energy: -82.096 bonds (distance) P-C4' energy: -101.576 flat angles C4'-P-C4' energy: -100.233 flat angles P-C4'-P energy: -72.274 tors. eta vs tors. theta energy: -60.762 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: 9, replica: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -968.637334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.637334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.637334 (E_RNA) where: Base-Base interactions energy: -553.422 where: short stacking energy: -279.951 Base-Backbone interact. energy: 0.156 local terms energy: -415.371660 where: bonds (distance) C4'-P energy: -106.850 bonds (distance) P-C4' energy: -91.489 flat angles C4'-P-C4' energy: -109.364 flat angles P-C4'-P energy: -69.904 tors. eta vs tors. theta energy: -37.766 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: 5 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -850.654627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.654627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.654627 (E_RNA) where: Base-Base interactions energy: -483.859 where: short stacking energy: -251.362 Base-Backbone interact. energy: -0.682 local terms energy: -366.113967 where: bonds (distance) C4'-P energy: -111.741 bonds (distance) P-C4' energy: -78.759 flat angles C4'-P-C4' energy: -82.203 flat angles P-C4'-P energy: -59.131 tors. eta vs tors. theta energy: -34.280 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: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2181.270198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.270198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.270198 (E_RNA) where: Base-Base interactions energy: -1515.319 where: short stacking energy: -631.743 Base-Backbone interact. energy: -4.682 local terms energy: -661.268627 where: bonds (distance) C4'-P energy: -130.264 bonds (distance) P-C4' energy: -127.690 flat angles C4'-P-C4' energy: -140.516 flat angles P-C4'-P energy: -84.957 tors. eta vs tors. theta energy: -177.841 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: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2117.056056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.056056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.056056 (E_RNA) where: Base-Base interactions energy: -1455.821 where: short stacking energy: -627.634 Base-Backbone interact. energy: -2.989 local terms energy: -658.246456 where: bonds (distance) C4'-P energy: -107.486 bonds (distance) P-C4' energy: -135.706 flat angles C4'-P-C4' energy: -140.223 flat angles P-C4'-P energy: -87.586 tors. eta vs tors. theta energy: -187.245 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: 3, replica: 7 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2042.266822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.266822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.266822 (E_RNA) where: Base-Base interactions energy: -1385.702 where: short stacking energy: -602.909 Base-Backbone interact. energy: 0.302 local terms energy: -656.866624 where: bonds (distance) C4'-P energy: -113.553 bonds (distance) P-C4' energy: -126.997 flat angles C4'-P-C4' energy: -141.026 flat angles P-C4'-P energy: -87.516 tors. eta vs tors. theta energy: -187.774 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: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1919.180011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.180011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.180011 (E_RNA) where: Base-Base interactions energy: -1311.864 where: short stacking energy: -571.095 Base-Backbone interact. energy: -0.318 local terms energy: -606.997111 where: bonds (distance) C4'-P energy: -103.755 bonds (distance) P-C4' energy: -114.655 flat angles C4'-P-C4' energy: -140.324 flat angles P-C4'-P energy: -85.245 tors. eta vs tors. theta energy: -163.017 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: 5, replica: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1760.674270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.674270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.674270 (E_RNA) where: Base-Base interactions energy: -1197.152 where: short stacking energy: -532.793 Base-Backbone interact. energy: -2.819 local terms energy: -560.703271 where: bonds (distance) C4'-P energy: -111.604 bonds (distance) P-C4' energy: -112.432 flat angles C4'-P-C4' energy: -124.759 flat angles P-C4'-P energy: -75.602 tors. eta vs tors. theta energy: -136.307 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: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1564.038168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.038168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.038168 (E_RNA) where: Base-Base interactions energy: -1028.954 where: short stacking energy: -459.614 Base-Backbone interact. energy: -2.071 local terms energy: -533.012691 where: bonds (distance) C4'-P energy: -78.395 bonds (distance) P-C4' energy: -125.035 flat angles C4'-P-C4' energy: -130.846 flat angles P-C4'-P energy: -77.171 tors. eta vs tors. theta energy: -121.566 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: 7, replica: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1323.648834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.648834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.648834 (E_RNA) where: Base-Base interactions energy: -840.716 where: short stacking energy: -405.586 Base-Backbone interact. energy: -3.089 local terms energy: -479.843724 where: bonds (distance) C4'-P energy: -101.997 bonds (distance) P-C4' energy: -106.988 flat angles C4'-P-C4' energy: -110.681 flat angles P-C4'-P energy: -68.352 tors. eta vs tors. theta energy: -91.826 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: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1079.795523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.795523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.795523 (E_RNA) where: Base-Base interactions energy: -650.374 where: short stacking energy: -323.620 Base-Backbone interact. energy: 1.616 local terms energy: -431.037702 where: bonds (distance) C4'-P energy: -122.152 bonds (distance) P-C4' energy: -101.958 flat angles C4'-P-C4' energy: -103.720 flat angles P-C4'-P energy: -46.522 tors. eta vs tors. theta energy: -56.686 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: 9, replica: 2 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -947.419238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.419238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.419238 (E_RNA) where: Base-Base interactions energy: -556.495 where: short stacking energy: -271.585 Base-Backbone interact. energy: 4.370 local terms energy: -395.294379 where: bonds (distance) C4'-P energy: -90.841 bonds (distance) P-C4' energy: -102.044 flat angles C4'-P-C4' energy: -107.246 flat angles P-C4'-P energy: -50.736 tors. eta vs tors. theta energy: -44.427 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: 5 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -817.473990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.473990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.473990 (E_RNA) where: Base-Base interactions energy: -457.655 where: short stacking energy: -229.912 Base-Backbone interact. energy: -2.271 local terms energy: -357.547826 where: bonds (distance) C4'-P energy: -103.514 bonds (distance) P-C4' energy: -103.323 flat angles C4'-P-C4' energy: -88.138 flat angles P-C4'-P energy: -39.882 tors. eta vs tors. theta energy: -22.690 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: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2195.754895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.754895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.754895 (E_RNA) where: Base-Base interactions energy: -1521.446 where: short stacking energy: -598.511 Base-Backbone interact. energy: -4.889 local terms energy: -669.420001 where: bonds (distance) C4'-P energy: -121.478 bonds (distance) P-C4' energy: -130.210 flat angles C4'-P-C4' energy: -147.880 flat angles P-C4'-P energy: -94.313 tors. eta vs tors. theta energy: -175.538 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: 2, replica: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2158.601009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.601009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.601009 (E_RNA) where: Base-Base interactions energy: -1487.652 where: short stacking energy: -660.350 Base-Backbone interact. energy: 1.922 local terms energy: -672.871681 where: bonds (distance) C4'-P energy: -122.288 bonds (distance) P-C4' energy: -117.050 flat angles C4'-P-C4' energy: -141.626 flat angles P-C4'-P energy: -93.275 tors. eta vs tors. theta energy: -198.632 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: 3, replica: 7 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2017.173901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.173901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.173901 (E_RNA) where: Base-Base interactions energy: -1366.927 where: short stacking energy: -614.775 Base-Backbone interact. energy: -2.973 local terms energy: -647.274752 where: bonds (distance) C4'-P energy: -109.330 bonds (distance) P-C4' energy: -135.902 flat angles C4'-P-C4' energy: -134.631 flat angles P-C4'-P energy: -84.121 tors. eta vs tors. theta energy: -183.290 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: 4, replica: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1915.556700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.556700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.556700 (E_RNA) where: Base-Base interactions energy: -1309.932 where: short stacking energy: -543.704 Base-Backbone interact. energy: -2.179 local terms energy: -603.445835 where: bonds (distance) C4'-P energy: -111.661 bonds (distance) P-C4' energy: -118.838 flat angles C4'-P-C4' energy: -125.148 flat angles P-C4'-P energy: -87.413 tors. eta vs tors. theta energy: -160.387 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: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1762.604312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.604312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.604312 (E_RNA) where: Base-Base interactions energy: -1191.829 where: short stacking energy: -494.601 Base-Backbone interact. energy: 3.216 local terms energy: -573.990731 where: bonds (distance) C4'-P energy: -113.529 bonds (distance) P-C4' energy: -122.697 flat angles C4'-P-C4' energy: -118.000 flat angles P-C4'-P energy: -81.381 tors. eta vs tors. theta energy: -138.384 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: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1561.385121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.385121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.385121 (E_RNA) where: Base-Base interactions energy: -1040.071 where: short stacking energy: -475.629 Base-Backbone interact. energy: -2.159 local terms energy: -519.155256 where: bonds (distance) C4'-P energy: -113.718 bonds (distance) P-C4' energy: -100.654 flat angles C4'-P-C4' energy: -112.120 flat angles P-C4'-P energy: -79.114 tors. eta vs tors. theta energy: -113.549 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: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1304.398662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.398662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.398662 (E_RNA) where: Base-Base interactions energy: -822.029 where: short stacking energy: -377.866 Base-Backbone interact. energy: -0.121 local terms energy: -482.249050 where: bonds (distance) C4'-P energy: -99.972 bonds (distance) P-C4' energy: -106.611 flat angles C4'-P-C4' energy: -110.568 flat angles P-C4'-P energy: -75.514 tors. eta vs tors. theta energy: -89.584 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: 8, replica: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1058.141635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.141635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.141635 (E_RNA) where: Base-Base interactions energy: -636.146 where: short stacking energy: -315.542 Base-Backbone interact. energy: -1.032 local terms energy: -420.963700 where: bonds (distance) C4'-P energy: -90.800 bonds (distance) P-C4' energy: -110.254 flat angles C4'-P-C4' energy: -98.921 flat angles P-C4'-P energy: -72.040 tors. eta vs tors. theta energy: -48.948 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: 2 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -967.189774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.189774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.189774 (E_RNA) where: Base-Base interactions energy: -583.780 where: short stacking energy: -272.421 Base-Backbone interact. energy: -2.463 local terms energy: -380.946710 where: bonds (distance) C4'-P energy: -69.379 bonds (distance) P-C4' energy: -99.362 flat angles C4'-P-C4' energy: -110.384 flat angles P-C4'-P energy: -78.679 tors. eta vs tors. theta energy: -23.142 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: 10, replica: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -790.535895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.535895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.535895 (E_RNA) where: Base-Base interactions energy: -434.641 where: short stacking energy: -213.606 Base-Backbone interact. energy: 10.839 local terms energy: -366.733573 where: bonds (distance) C4'-P energy: -88.190 bonds (distance) P-C4' energy: -109.528 flat angles C4'-P-C4' energy: -88.796 flat angles P-C4'-P energy: -60.855 tors. eta vs tors. theta energy: -19.366 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: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2208.880662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.880662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.880662 (E_RNA) where: Base-Base interactions energy: -1528.079 where: short stacking energy: -611.684 Base-Backbone interact. energy: -3.303 local terms energy: -677.499105 where: bonds (distance) C4'-P energy: -125.678 bonds (distance) P-C4' energy: -133.613 flat angles C4'-P-C4' energy: -148.624 flat angles P-C4'-P energy: -96.088 tors. eta vs tors. theta energy: -173.495 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: 2, replica: 10 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2169.089897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.089897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.089897 (E_RNA) where: Base-Base interactions energy: -1499.822 where: short stacking energy: -648.300 Base-Backbone interact. energy: 1.074 local terms energy: -670.341802 where: bonds (distance) C4'-P energy: -116.998 bonds (distance) P-C4' energy: -117.724 flat angles C4'-P-C4' energy: -141.133 flat angles P-C4'-P energy: -100.819 tors. eta vs tors. theta energy: -193.669 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: 3, replica: 7 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2044.680287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.680287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.680287 (E_RNA) where: Base-Base interactions energy: -1393.559 where: short stacking energy: -610.495 Base-Backbone interact. energy: 1.123 local terms energy: -652.243943 where: bonds (distance) C4'-P energy: -118.219 bonds (distance) P-C4' energy: -119.458 flat angles C4'-P-C4' energy: -135.189 flat angles P-C4'-P energy: -94.045 tors. eta vs tors. theta energy: -185.333 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: 4, replica: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1924.220667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.220667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.220667 (E_RNA) where: Base-Base interactions energy: -1324.986 where: short stacking energy: -558.724 Base-Backbone interact. energy: -2.164 local terms energy: -597.071222 where: bonds (distance) C4'-P energy: -103.968 bonds (distance) P-C4' energy: -114.038 flat angles C4'-P-C4' energy: -128.339 flat angles P-C4'-P energy: -87.475 tors. eta vs tors. theta energy: -163.251 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: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1746.643917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.643917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.643917 (E_RNA) where: Base-Base interactions energy: -1167.059 where: short stacking energy: -513.569 Base-Backbone interact. energy: -0.363 local terms energy: -579.221601 where: bonds (distance) C4'-P energy: -113.637 bonds (distance) P-C4' energy: -102.458 flat angles C4'-P-C4' energy: -134.839 flat angles P-C4'-P energy: -84.794 tors. eta vs tors. theta energy: -143.493 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: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1533.542896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.542896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.542896 (E_RNA) where: Base-Base interactions energy: -1015.772 where: short stacking energy: -430.506 Base-Backbone interact. energy: -2.143 local terms energy: -515.627211 where: bonds (distance) C4'-P energy: -107.306 bonds (distance) P-C4' energy: -115.752 flat angles C4'-P-C4' energy: -123.298 flat angles P-C4'-P energy: -70.010 tors. eta vs tors. theta energy: -99.261 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: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1359.547643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.547643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.547643 (E_RNA) where: Base-Base interactions energy: -883.469 where: short stacking energy: -413.393 Base-Backbone interact. energy: 1.262 local terms energy: -477.341067 where: bonds (distance) C4'-P energy: -106.428 bonds (distance) P-C4' energy: -90.047 flat angles C4'-P-C4' energy: -114.756 flat angles P-C4'-P energy: -74.251 tors. eta vs tors. theta energy: -91.859 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: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1064.529965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.529965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.529965 (E_RNA) where: Base-Base interactions energy: -656.612 where: short stacking energy: -284.828 Base-Backbone interact. energy: 9.620 local terms energy: -417.538556 where: bonds (distance) C4'-P energy: -112.172 bonds (distance) P-C4' energy: -97.995 flat angles C4'-P-C4' energy: -111.259 flat angles P-C4'-P energy: -45.787 tors. eta vs tors. theta energy: -50.326 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: 2 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -935.996611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.996611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.996611 (E_RNA) where: Base-Base interactions energy: -573.552 where: short stacking energy: -282.895 Base-Backbone interact. energy: 0.717 local terms energy: -363.161224 where: bonds (distance) C4'-P energy: -96.705 bonds (distance) P-C4' energy: -86.325 flat angles C4'-P-C4' energy: -92.328 flat angles P-C4'-P energy: -63.494 tors. eta vs tors. theta energy: -24.309 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: 10, replica: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -803.256328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.256328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.256328 (E_RNA) where: Base-Base interactions energy: -455.915 where: short stacking energy: -225.893 Base-Backbone interact. energy: 0.050 local terms energy: -347.390782 where: bonds (distance) C4'-P energy: -88.100 bonds (distance) P-C4' energy: -93.134 flat angles C4'-P-C4' energy: -77.853 flat angles P-C4'-P energy: -54.946 tors. eta vs tors. theta energy: -33.358 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: 1, replica: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2200.385859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.385859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.385859 (E_RNA) where: Base-Base interactions energy: -1530.838 where: short stacking energy: -633.449 Base-Backbone interact. energy: -7.845 local terms energy: -661.702962 where: bonds (distance) C4'-P energy: -126.284 bonds (distance) P-C4' energy: -128.238 flat angles C4'-P-C4' energy: -139.077 flat angles P-C4'-P energy: -91.128 tors. eta vs tors. theta energy: -176.976 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: 266 Temperature: 0.950000 Total energy: -2160.709186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.709186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.709186 (E_RNA) where: Base-Base interactions energy: -1508.008 where: short stacking energy: -653.653 Base-Backbone interact. energy: -3.003 local terms energy: -649.699081 where: bonds (distance) C4'-P energy: -119.192 bonds (distance) P-C4' energy: -112.653 flat angles C4'-P-C4' energy: -137.017 flat angles P-C4'-P energy: -87.601 tors. eta vs tors. theta energy: -193.237 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: 3, replica: 7 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2047.918934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.918934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.918934 (E_RNA) where: Base-Base interactions energy: -1406.676 where: short stacking energy: -607.009 Base-Backbone interact. energy: -3.570 local terms energy: -637.672707 where: bonds (distance) C4'-P energy: -120.122 bonds (distance) P-C4' energy: -106.810 flat angles C4'-P-C4' energy: -139.860 flat angles P-C4'-P energy: -80.954 tors. eta vs tors. theta energy: -189.926 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: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1894.533152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.533152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.533152 (E_RNA) where: Base-Base interactions energy: -1284.456 where: short stacking energy: -544.443 Base-Backbone interact. energy: -2.058 local terms energy: -608.019459 where: bonds (distance) C4'-P energy: -111.741 bonds (distance) P-C4' energy: -128.066 flat angles C4'-P-C4' energy: -130.008 flat angles P-C4'-P energy: -87.502 tors. eta vs tors. theta energy: -150.703 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: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1769.480967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.480967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.480967 (E_RNA) where: Base-Base interactions energy: -1199.210 where: short stacking energy: -508.740 Base-Backbone interact. energy: -3.142 local terms energy: -567.128787 where: bonds (distance) C4'-P energy: -122.032 bonds (distance) P-C4' energy: -99.717 flat angles C4'-P-C4' energy: -126.935 flat angles P-C4'-P energy: -85.725 tors. eta vs tors. theta energy: -132.719 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: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1547.442353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.442353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.442353 (E_RNA) where: Base-Base interactions energy: -1025.877 where: short stacking energy: -442.286 Base-Backbone interact. energy: -2.958 local terms energy: -518.606614 where: bonds (distance) C4'-P energy: -97.239 bonds (distance) P-C4' energy: -119.671 flat angles C4'-P-C4' energy: -126.604 flat angles P-C4'-P energy: -69.351 tors. eta vs tors. theta energy: -105.741 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: 7, replica: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1345.384885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.384885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.384885 (E_RNA) where: Base-Base interactions energy: -866.180 where: short stacking energy: -398.777 Base-Backbone interact. energy: 6.013 local terms energy: -485.217698 where: bonds (distance) C4'-P energy: -107.518 bonds (distance) P-C4' energy: -118.136 flat angles C4'-P-C4' energy: -111.341 flat angles P-C4'-P energy: -64.629 tors. eta vs tors. theta energy: -83.594 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: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1071.404152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.404152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.404152 (E_RNA) where: Base-Base interactions energy: -652.261 where: short stacking energy: -311.662 Base-Backbone interact. energy: -2.414 local terms energy: -416.729935 where: bonds (distance) C4'-P energy: -93.365 bonds (distance) P-C4' energy: -100.976 flat angles C4'-P-C4' energy: -106.248 flat angles P-C4'-P energy: -55.157 tors. eta vs tors. theta energy: -60.983 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: 9, replica: 2 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -908.657569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.657569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.657569 (E_RNA) where: Base-Base interactions energy: -537.700 where: short stacking energy: -240.270 Base-Backbone interact. energy: 2.516 local terms energy: -373.473186 where: bonds (distance) C4'-P energy: -96.396 bonds (distance) P-C4' energy: -107.196 flat angles C4'-P-C4' energy: -100.794 flat angles P-C4'-P energy: -62.445 tors. eta vs tors. theta energy: -6.642 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: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -779.801378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.801378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.801378 (E_RNA) where: Base-Base interactions energy: -421.555 where: short stacking energy: -218.063 Base-Backbone interact. energy: 0.582 local terms energy: -358.828035 where: bonds (distance) C4'-P energy: -85.034 bonds (distance) P-C4' energy: -108.823 flat angles C4'-P-C4' energy: -88.514 flat angles P-C4'-P energy: -62.379 tors. eta vs tors. theta energy: -14.078 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: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2190.996298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.996298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.996298 (E_RNA) where: Base-Base interactions energy: -1525.445 where: short stacking energy: -608.081 Base-Backbone interact. energy: -4.843 local terms energy: -660.707727 where: bonds (distance) C4'-P energy: -126.681 bonds (distance) P-C4' energy: -118.541 flat angles C4'-P-C4' energy: -147.647 flat angles P-C4'-P energy: -98.869 tors. eta vs tors. theta energy: -168.969 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: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2128.502311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.502311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.502311 (E_RNA) where: Base-Base interactions energy: -1484.969 where: short stacking energy: -621.672 Base-Backbone interact. energy: 0.178 local terms energy: -643.711678 where: bonds (distance) C4'-P energy: -123.910 bonds (distance) P-C4' energy: -121.684 flat angles C4'-P-C4' energy: -135.919 flat angles P-C4'-P energy: -75.448 tors. eta vs tors. theta energy: -186.749 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: 7 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2078.606451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.606451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.606451 (E_RNA) where: Base-Base interactions energy: -1423.672 where: short stacking energy: -624.587 Base-Backbone interact. energy: -2.007 local terms energy: -652.927411 where: bonds (distance) C4'-P energy: -112.284 bonds (distance) P-C4' energy: -115.274 flat angles C4'-P-C4' energy: -141.100 flat angles P-C4'-P energy: -93.382 tors. eta vs tors. theta energy: -190.888 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: 4, replica: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1841.401815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.401815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.401815 (E_RNA) where: Base-Base interactions energy: -1291.958 where: short stacking energy: -540.484 Base-Backbone interact. energy: -2.464 local terms energy: -546.979204 where: bonds (distance) C4'-P energy: -97.115 bonds (distance) P-C4' energy: -110.826 flat angles C4'-P-C4' energy: -120.682 flat angles P-C4'-P energy: -83.363 tors. eta vs tors. theta energy: -134.993 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: 6 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1769.257722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.257722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.257722 (E_RNA) where: Base-Base interactions energy: -1208.262 where: short stacking energy: -505.155 Base-Backbone interact. energy: -3.833 local terms energy: -557.162780 where: bonds (distance) C4'-P energy: -112.385 bonds (distance) P-C4' energy: -104.664 flat angles C4'-P-C4' energy: -128.253 flat angles P-C4'-P energy: -73.047 tors. eta vs tors. theta energy: -138.814 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: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1486.309221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.309221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.309221 (E_RNA) where: Base-Base interactions energy: -944.359 where: short stacking energy: -409.852 Base-Backbone interact. energy: -2.125 local terms energy: -539.825168 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -124.238 flat angles C4'-P-C4' energy: -118.971 flat angles P-C4'-P energy: -83.563 tors. eta vs tors. theta energy: -95.571 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: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1290.892293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.892293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.892293 (E_RNA) where: Base-Base interactions energy: -821.762 where: short stacking energy: -388.592 Base-Backbone interact. energy: 0.992 local terms energy: -470.122690 where: bonds (distance) C4'-P energy: -111.357 bonds (distance) P-C4' energy: -91.150 flat angles C4'-P-C4' energy: -124.086 flat angles P-C4'-P energy: -54.543 tors. eta vs tors. theta energy: -88.987 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: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1094.913388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.913388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.913388 (E_RNA) where: Base-Base interactions energy: -642.825 where: short stacking energy: -325.397 Base-Backbone interact. energy: -2.670 local terms energy: -449.418375 where: bonds (distance) C4'-P energy: -106.747 bonds (distance) P-C4' energy: -107.891 flat angles C4'-P-C4' energy: -112.317 flat angles P-C4'-P energy: -66.493 tors. eta vs tors. theta energy: -55.970 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: 2 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -941.498927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.498927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.498927 (E_RNA) where: Base-Base interactions energy: -564.128 where: short stacking energy: -263.321 Base-Backbone interact. energy: -2.528 local terms energy: -374.842920 where: bonds (distance) C4'-P energy: -82.963 bonds (distance) P-C4' energy: -103.640 flat angles C4'-P-C4' energy: -99.950 flat angles P-C4'-P energy: -60.727 tors. eta vs tors. theta energy: -27.563 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: 10, replica: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -761.625272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.625272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.625272 (E_RNA) where: Base-Base interactions energy: -418.999 where: short stacking energy: -210.755 Base-Backbone interact. energy: 0.686 local terms energy: -343.311934 where: bonds (distance) C4'-P energy: -83.183 bonds (distance) P-C4' energy: -105.195 flat angles C4'-P-C4' energy: -74.458 flat angles P-C4'-P energy: -50.556 tors. eta vs tors. theta energy: -29.920 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: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2185.269238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.269238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.269238 (E_RNA) where: Base-Base interactions energy: -1502.712 where: short stacking energy: -615.492 Base-Backbone interact. energy: -4.089 local terms energy: -678.469025 where: bonds (distance) C4'-P energy: -130.650 bonds (distance) P-C4' energy: -137.123 flat angles C4'-P-C4' energy: -142.199 flat angles P-C4'-P energy: -97.579 tors. eta vs tors. theta energy: -170.918 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: 10 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2144.202801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.202801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.202801 (E_RNA) where: Base-Base interactions energy: -1478.960 where: short stacking energy: -633.752 Base-Backbone interact. energy: -0.309 local terms energy: -664.934021 where: bonds (distance) C4'-P energy: -117.498 bonds (distance) P-C4' energy: -122.512 flat angles C4'-P-C4' energy: -148.893 flat angles P-C4'-P energy: -85.426 tors. eta vs tors. theta energy: -190.605 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: 3, replica: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2068.748656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.748656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.748656 (E_RNA) where: Base-Base interactions energy: -1435.960 where: short stacking energy: -622.839 Base-Backbone interact. energy: -3.747 local terms energy: -629.041845 where: bonds (distance) C4'-P energy: -107.747 bonds (distance) P-C4' energy: -116.900 flat angles C4'-P-C4' energy: -128.168 flat angles P-C4'-P energy: -79.839 tors. eta vs tors. theta energy: -196.388 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: 4, replica: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1867.014266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.014266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.014266 (E_RNA) where: Base-Base interactions energy: -1291.151 where: short stacking energy: -541.197 Base-Backbone interact. energy: 2.271 local terms energy: -578.134426 where: bonds (distance) C4'-P energy: -93.494 bonds (distance) P-C4' energy: -121.244 flat angles C4'-P-C4' energy: -131.836 flat angles P-C4'-P energy: -87.191 tors. eta vs tors. theta energy: -144.370 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: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1772.071375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.071375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.071375 (E_RNA) where: Base-Base interactions energy: -1167.938 where: short stacking energy: -477.305 Base-Backbone interact. energy: -3.267 local terms energy: -600.865986 where: bonds (distance) C4'-P energy: -115.580 bonds (distance) P-C4' energy: -120.795 flat angles C4'-P-C4' energy: -138.542 flat angles P-C4'-P energy: -84.113 tors. eta vs tors. theta energy: -141.836 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: 6, replica: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1555.803421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.803421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.803421 (E_RNA) where: Base-Base interactions energy: -999.059 where: short stacking energy: -450.208 Base-Backbone interact. energy: -0.021 local terms energy: -556.723577 where: bonds (distance) C4'-P energy: -104.791 bonds (distance) P-C4' energy: -119.028 flat angles C4'-P-C4' energy: -133.865 flat angles P-C4'-P energy: -84.176 tors. eta vs tors. theta energy: -114.865 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: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1203.719284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.719284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.719284 (E_RNA) where: Base-Base interactions energy: -734.803 where: short stacking energy: -348.747 Base-Backbone interact. energy: -2.768 local terms energy: -466.148063 where: bonds (distance) C4'-P energy: -107.703 bonds (distance) P-C4' energy: -106.776 flat angles C4'-P-C4' energy: -113.942 flat angles P-C4'-P energy: -72.837 tors. eta vs tors. theta energy: -64.889 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: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1099.232808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.232808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.232808 (E_RNA) where: Base-Base interactions energy: -624.410 where: short stacking energy: -285.127 Base-Backbone interact. energy: -2.480 local terms energy: -472.342364 where: bonds (distance) C4'-P energy: -110.259 bonds (distance) P-C4' energy: -113.001 flat angles C4'-P-C4' energy: -108.051 flat angles P-C4'-P energy: -86.723 tors. eta vs tors. theta energy: -54.309 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: 9, replica: 2 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -963.905616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.905616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.905616 (E_RNA) where: Base-Base interactions energy: -559.673 where: short stacking energy: -263.826 Base-Backbone interact. energy: -3.546 local terms energy: -400.687158 where: bonds (distance) C4'-P energy: -91.919 bonds (distance) P-C4' energy: -116.678 flat angles C4'-P-C4' energy: -115.861 flat angles P-C4'-P energy: -49.111 tors. eta vs tors. theta energy: -27.118 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: 10, replica: 5 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -767.784424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.784424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.784424 (E_RNA) where: Base-Base interactions energy: -412.154 where: short stacking energy: -221.804 Base-Backbone interact. energy: -0.530 local terms energy: -355.100723 where: bonds (distance) C4'-P energy: -109.281 bonds (distance) P-C4' energy: -88.247 flat angles C4'-P-C4' energy: -84.154 flat angles P-C4'-P energy: -52.873 tors. eta vs tors. theta energy: -20.546 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: 1, replica: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2170.249729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.249729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.249729 (E_RNA) where: Base-Base interactions energy: -1530.989 where: short stacking energy: -630.435 Base-Backbone interact. energy: -4.477 local terms energy: -634.783706 where: bonds (distance) C4'-P energy: -111.040 bonds (distance) P-C4' energy: -119.226 flat angles C4'-P-C4' energy: -142.434 flat angles P-C4'-P energy: -92.289 tors. eta vs tors. theta energy: -169.795 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: 2, replica: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2137.595830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.595830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.595830 (E_RNA) where: Base-Base interactions energy: -1458.016 where: short stacking energy: -635.795 Base-Backbone interact. energy: -5.325 local terms energy: -674.255663 where: bonds (distance) C4'-P energy: -128.829 bonds (distance) P-C4' energy: -116.825 flat angles C4'-P-C4' energy: -139.156 flat angles P-C4'-P energy: -81.897 tors. eta vs tors. theta energy: -207.549 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: 10 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2062.773152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.773152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.773152 (E_RNA) where: Base-Base interactions energy: -1403.191 where: short stacking energy: -585.203 Base-Backbone interact. energy: -1.827 local terms energy: -657.754934 where: bonds (distance) C4'-P energy: -120.470 bonds (distance) P-C4' energy: -126.009 flat angles C4'-P-C4' energy: -136.046 flat angles P-C4'-P energy: -104.462 tors. eta vs tors. theta energy: -170.768 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: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1886.091413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.091413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.091413 (E_RNA) where: Base-Base interactions energy: -1282.778 where: short stacking energy: -586.001 Base-Backbone interact. energy: -0.375 local terms energy: -602.938588 where: bonds (distance) C4'-P energy: -105.654 bonds (distance) P-C4' energy: -126.236 flat angles C4'-P-C4' energy: -111.144 flat angles P-C4'-P energy: -91.085 tors. eta vs tors. theta energy: -168.819 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: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1745.391613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.391613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.391613 (E_RNA) where: Base-Base interactions energy: -1197.710 where: short stacking energy: -494.258 Base-Backbone interact. energy: -4.660 local terms energy: -543.022570 where: bonds (distance) C4'-P energy: -106.976 bonds (distance) P-C4' energy: -106.555 flat angles C4'-P-C4' energy: -122.673 flat angles P-C4'-P energy: -73.030 tors. eta vs tors. theta energy: -133.788 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: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1580.016617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.016617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.016617 (E_RNA) where: Base-Base interactions energy: -1066.433 where: short stacking energy: -488.934 Base-Backbone interact. energy: -0.090 local terms energy: -513.493639 where: bonds (distance) C4'-P energy: -86.910 bonds (distance) P-C4' energy: -118.732 flat angles C4'-P-C4' energy: -111.481 flat angles P-C4'-P energy: -74.983 tors. eta vs tors. theta energy: -121.388 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: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1202.729294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.729294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.729294 (E_RNA) where: Base-Base interactions energy: -735.207 where: short stacking energy: -351.428 Base-Backbone interact. energy: 2.815 local terms energy: -470.337713 where: bonds (distance) C4'-P energy: -104.455 bonds (distance) P-C4' energy: -107.852 flat angles C4'-P-C4' energy: -110.835 flat angles P-C4'-P energy: -71.563 tors. eta vs tors. theta energy: -75.632 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: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1128.042594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.042594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.042594 (E_RNA) where: Base-Base interactions energy: -698.539 where: short stacking energy: -334.537 Base-Backbone interact. energy: -0.448 local terms energy: -429.055998 where: bonds (distance) C4'-P energy: -111.044 bonds (distance) P-C4' energy: -105.323 flat angles C4'-P-C4' energy: -105.580 flat angles P-C4'-P energy: -54.268 tors. eta vs tors. theta energy: -52.840 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: 9, replica: 2 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -976.153415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.153415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.153415 (E_RNA) where: Base-Base interactions energy: -603.839 where: short stacking energy: -319.359 Base-Backbone interact. energy: 2.806 local terms energy: -375.120271 where: bonds (distance) C4'-P energy: -87.679 bonds (distance) P-C4' energy: -105.566 flat angles C4'-P-C4' energy: -94.987 flat angles P-C4'-P energy: -38.704 tors. eta vs tors. theta energy: -48.184 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: 10, replica: 5 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -761.933482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.933482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.933482 (E_RNA) where: Base-Base interactions energy: -434.169 where: short stacking energy: -237.402 Base-Backbone interact. energy: 2.252 local terms energy: -330.015864 where: bonds (distance) C4'-P energy: -94.226 bonds (distance) P-C4' energy: -102.478 flat angles C4'-P-C4' energy: -78.695 flat angles P-C4'-P energy: -43.314 tors. eta vs tors. theta energy: -11.303 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: 1, replica: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2199.891534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.891534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.891534 (E_RNA) where: Base-Base interactions energy: -1533.331 where: short stacking energy: -632.918 Base-Backbone interact. energy: -2.835 local terms energy: -663.724833 where: bonds (distance) C4'-P energy: -134.543 bonds (distance) P-C4' energy: -120.967 flat angles C4'-P-C4' energy: -145.173 flat angles P-C4'-P energy: -88.093 tors. eta vs tors. theta energy: -174.949 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: 2, replica: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2156.580025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.580025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.580025 (E_RNA) where: Base-Base interactions energy: -1485.690 where: short stacking energy: -654.153 Base-Backbone interact. energy: -0.125 local terms energy: -670.764810 where: bonds (distance) C4'-P energy: -122.885 bonds (distance) P-C4' energy: -119.184 flat angles C4'-P-C4' energy: -137.916 flat angles P-C4'-P energy: -96.077 tors. eta vs tors. theta energy: -194.703 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: 3, replica: 10 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2084.118705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.118705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.118705 (E_RNA) where: Base-Base interactions energy: -1444.333 where: short stacking energy: -627.125 Base-Backbone interact. energy: -4.343 local terms energy: -635.442215 where: bonds (distance) C4'-P energy: -112.364 bonds (distance) P-C4' energy: -108.200 flat angles C4'-P-C4' energy: -141.694 flat angles P-C4'-P energy: -83.968 tors. eta vs tors. theta energy: -189.216 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: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1864.921918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.921918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.921918 (E_RNA) where: Base-Base interactions energy: -1287.551 where: short stacking energy: -564.038 Base-Backbone interact. energy: -0.954 local terms energy: -576.417188 where: bonds (distance) C4'-P energy: -108.831 bonds (distance) P-C4' energy: -114.399 flat angles C4'-P-C4' energy: -115.789 flat angles P-C4'-P energy: -72.415 tors. eta vs tors. theta energy: -164.984 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: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1715.055436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.055436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.055436 (E_RNA) where: Base-Base interactions energy: -1175.722 where: short stacking energy: -490.820 Base-Backbone interact. energy: 3.368 local terms energy: -542.701708 where: bonds (distance) C4'-P energy: -107.786 bonds (distance) P-C4' energy: -112.893 flat angles C4'-P-C4' energy: -122.221 flat angles P-C4'-P energy: -70.989 tors. eta vs tors. theta energy: -128.813 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: 6, replica: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1564.393305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.393305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.393305 (E_RNA) where: Base-Base interactions energy: -1010.804 where: short stacking energy: -450.771 Base-Backbone interact. energy: -1.602 local terms energy: -551.987785 where: bonds (distance) C4'-P energy: -117.896 bonds (distance) P-C4' energy: -108.116 flat angles C4'-P-C4' energy: -124.236 flat angles P-C4'-P energy: -75.016 tors. eta vs tors. theta energy: -126.724 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: 7, replica: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1198.992508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.992508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.992508 (E_RNA) where: Base-Base interactions energy: -745.611 where: short stacking energy: -340.546 Base-Backbone interact. energy: 1.444 local terms energy: -454.825977 where: bonds (distance) C4'-P energy: -83.396 bonds (distance) P-C4' energy: -114.746 flat angles C4'-P-C4' energy: -111.526 flat angles P-C4'-P energy: -68.807 tors. eta vs tors. theta energy: -76.352 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: 8, replica: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1108.685485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.685485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.685485 (E_RNA) where: Base-Base interactions energy: -675.301 where: short stacking energy: -299.181 Base-Backbone interact. energy: -0.034 local terms energy: -433.350131 where: bonds (distance) C4'-P energy: -98.142 bonds (distance) P-C4' energy: -117.416 flat angles C4'-P-C4' energy: -94.089 flat angles P-C4'-P energy: -62.731 tors. eta vs tors. theta energy: -60.972 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: 9, replica: 2 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -958.374773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.374773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.374773 (E_RNA) where: Base-Base interactions energy: -560.587 where: short stacking energy: -274.078 Base-Backbone interact. energy: 0.579 local terms energy: -398.366173 where: bonds (distance) C4'-P energy: -112.285 bonds (distance) P-C4' energy: -96.857 flat angles C4'-P-C4' energy: -97.685 flat angles P-C4'-P energy: -50.567 tors. eta vs tors. theta energy: -40.972 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: 10, replica: 5 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -834.371312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.371312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.371312 (E_RNA) where: Base-Base interactions energy: -464.076 where: short stacking energy: -215.125 Base-Backbone interact. energy: 2.616 local terms energy: -372.911720 where: bonds (distance) C4'-P energy: -110.414 bonds (distance) P-C4' energy: -96.980 flat angles C4'-P-C4' energy: -89.519 flat angles P-C4'-P energy: -64.695 tors. eta vs tors. theta energy: -11.304 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: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2177.432599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.432599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.432599 (E_RNA) where: Base-Base interactions energy: -1523.018 where: short stacking energy: -615.546 Base-Backbone interact. energy: -0.031 local terms energy: -654.383769 where: bonds (distance) C4'-P energy: -126.847 bonds (distance) P-C4' energy: -125.366 flat angles C4'-P-C4' energy: -138.514 flat angles P-C4'-P energy: -89.738 tors. eta vs tors. theta energy: -173.919 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: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2109.344025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.344025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.344025 (E_RNA) where: Base-Base interactions energy: -1433.245 where: short stacking energy: -629.606 Base-Backbone interact. energy: -3.723 local terms energy: -672.376274 where: bonds (distance) C4'-P energy: -121.398 bonds (distance) P-C4' energy: -125.899 flat angles C4'-P-C4' energy: -135.199 flat angles P-C4'-P energy: -95.482 tors. eta vs tors. theta energy: -194.398 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: 3, replica: 10 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2108.508020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.508020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.508020 (E_RNA) where: Base-Base interactions energy: -1466.191 where: short stacking energy: -617.773 Base-Backbone interact. energy: -2.075 local terms energy: -640.241707 where: bonds (distance) C4'-P energy: -107.507 bonds (distance) P-C4' energy: -114.101 flat angles C4'-P-C4' energy: -146.800 flat angles P-C4'-P energy: -86.286 tors. eta vs tors. theta energy: -185.547 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: 4, replica: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1883.412966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.412966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.412966 (E_RNA) where: Base-Base interactions energy: -1284.144 where: short stacking energy: -565.568 Base-Backbone interact. energy: -3.512 local terms energy: -595.757208 where: bonds (distance) C4'-P energy: -101.671 bonds (distance) P-C4' energy: -120.396 flat angles C4'-P-C4' energy: -124.452 flat angles P-C4'-P energy: -85.464 tors. eta vs tors. theta energy: -163.774 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: 5, replica: 6 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1743.487910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.487910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.487910 (E_RNA) where: Base-Base interactions energy: -1186.558 where: short stacking energy: -495.684 Base-Backbone interact. energy: -3.227 local terms energy: -553.703440 where: bonds (distance) C4'-P energy: -107.398 bonds (distance) P-C4' energy: -109.525 flat angles C4'-P-C4' energy: -133.279 flat angles P-C4'-P energy: -68.378 tors. eta vs tors. theta energy: -135.123 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: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1558.153110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.153110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.153110 (E_RNA) where: Base-Base interactions energy: -1029.293 where: short stacking energy: -446.936 Base-Backbone interact. energy: 3.516 local terms energy: -532.376577 where: bonds (distance) C4'-P energy: -109.339 bonds (distance) P-C4' energy: -117.961 flat angles C4'-P-C4' energy: -117.121 flat angles P-C4'-P energy: -68.666 tors. eta vs tors. theta energy: -119.290 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: 7, replica: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1226.592572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.592572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.592572 (E_RNA) where: Base-Base interactions energy: -738.051 where: short stacking energy: -345.101 Base-Backbone interact. energy: -0.345 local terms energy: -488.196254 where: bonds (distance) C4'-P energy: -106.848 bonds (distance) P-C4' energy: -120.501 flat angles C4'-P-C4' energy: -109.051 flat angles P-C4'-P energy: -76.214 tors. eta vs tors. theta energy: -75.583 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: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1037.667136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.667136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.667136 (E_RNA) where: Base-Base interactions energy: -626.477 where: short stacking energy: -294.335 Base-Backbone interact. energy: 3.564 local terms energy: -414.754392 where: bonds (distance) C4'-P energy: -106.835 bonds (distance) P-C4' energy: -108.521 flat angles C4'-P-C4' energy: -100.237 flat angles P-C4'-P energy: -59.759 tors. eta vs tors. theta energy: -39.403 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: 9, replica: 2 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -984.954584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.954584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.954584 (E_RNA) where: Base-Base interactions energy: -595.486 where: short stacking energy: -288.107 Base-Backbone interact. energy: -0.038 local terms energy: -389.431369 where: bonds (distance) C4'-P energy: -101.628 bonds (distance) P-C4' energy: -105.680 flat angles C4'-P-C4' energy: -99.538 flat angles P-C4'-P energy: -49.781 tors. eta vs tors. theta energy: -32.804 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: 10, replica: 5 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -768.295445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.295445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.295445 (E_RNA) where: Base-Base interactions energy: -423.661 where: short stacking energy: -244.718 Base-Backbone interact. energy: -3.301 local terms energy: -341.333365 where: bonds (distance) C4'-P energy: -85.160 bonds (distance) P-C4' energy: -109.496 flat angles C4'-P-C4' energy: -81.180 flat angles P-C4'-P energy: -46.990 tors. eta vs tors. theta energy: -18.508 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: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2204.238846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.238846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.238846 (E_RNA) where: Base-Base interactions energy: -1534.095 where: short stacking energy: -593.779 Base-Backbone interact. energy: -4.838 local terms energy: -665.305740 where: bonds (distance) C4'-P energy: -123.928 bonds (distance) P-C4' energy: -128.916 flat angles C4'-P-C4' energy: -143.222 flat angles P-C4'-P energy: -99.950 tors. eta vs tors. theta energy: -169.291 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: 2, replica: 7 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2143.027858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.027858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.027858 (E_RNA) where: Base-Base interactions energy: -1465.502 where: short stacking energy: -620.709 Base-Backbone interact. energy: -3.908 local terms energy: -673.618267 where: bonds (distance) C4'-P energy: -121.932 bonds (distance) P-C4' energy: -114.395 flat angles C4'-P-C4' energy: -139.353 flat angles P-C4'-P energy: -92.241 tors. eta vs tors. theta energy: -205.698 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: 3, replica: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2042.768918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.768918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.768918 (E_RNA) where: Base-Base interactions energy: -1403.210 where: short stacking energy: -584.107 Base-Backbone interact. energy: -2.166 local terms energy: -637.392182 where: bonds (distance) C4'-P energy: -120.780 bonds (distance) P-C4' energy: -126.000 flat angles C4'-P-C4' energy: -133.241 flat angles P-C4'-P energy: -88.264 tors. eta vs tors. theta energy: -169.109 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: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1879.259488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.259488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.259488 (E_RNA) where: Base-Base interactions energy: -1240.506 where: short stacking energy: -520.508 Base-Backbone interact. energy: -2.490 local terms energy: -636.263058 where: bonds (distance) C4'-P energy: -119.991 bonds (distance) P-C4' energy: -121.660 flat angles C4'-P-C4' energy: -135.950 flat angles P-C4'-P energy: -100.281 tors. eta vs tors. theta energy: -158.380 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: 5, replica: 6 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1726.778186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.778186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.778186 (E_RNA) where: Base-Base interactions energy: -1172.111 where: short stacking energy: -496.307 Base-Backbone interact. energy: -0.779 local terms energy: -553.888296 where: bonds (distance) C4'-P energy: -101.827 bonds (distance) P-C4' energy: -118.557 flat angles C4'-P-C4' energy: -115.243 flat angles P-C4'-P energy: -82.947 tors. eta vs tors. theta energy: -135.315 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: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1537.382186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.382186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.382186 (E_RNA) where: Base-Base interactions energy: -1015.737 where: short stacking energy: -429.561 Base-Backbone interact. energy: 4.267 local terms energy: -525.911728 where: bonds (distance) C4'-P energy: -111.578 bonds (distance) P-C4' energy: -104.676 flat angles C4'-P-C4' energy: -116.851 flat angles P-C4'-P energy: -71.968 tors. eta vs tors. theta energy: -120.839 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: 7, replica: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1172.281094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.281094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.281094 (E_RNA) where: Base-Base interactions energy: -721.470 where: short stacking energy: -348.762 Base-Backbone interact. energy: 2.895 local terms energy: -453.705327 where: bonds (distance) C4'-P energy: -77.014 bonds (distance) P-C4' energy: -110.748 flat angles C4'-P-C4' energy: -118.619 flat angles P-C4'-P energy: -72.632 tors. eta vs tors. theta energy: -74.692 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: 9 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1205.735281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.735281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.735281 (E_RNA) where: Base-Base interactions energy: -757.815 where: short stacking energy: -346.638 Base-Backbone interact. energy: -0.203 local terms energy: -447.717210 where: bonds (distance) C4'-P energy: -95.553 bonds (distance) P-C4' energy: -105.482 flat angles C4'-P-C4' energy: -109.573 flat angles P-C4'-P energy: -67.731 tors. eta vs tors. theta energy: -69.378 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: 9, replica: 2 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -912.776594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.776594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.776594 (E_RNA) where: Base-Base interactions energy: -511.086 where: short stacking energy: -266.081 Base-Backbone interact. energy: 0.772 local terms energy: -402.463196 where: bonds (distance) C4'-P energy: -92.367 bonds (distance) P-C4' energy: -118.033 flat angles C4'-P-C4' energy: -78.168 flat angles P-C4'-P energy: -72.543 tors. eta vs tors. theta energy: -41.352 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: 5 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -769.263395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.263395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.263395 (E_RNA) where: Base-Base interactions energy: -407.618 where: short stacking energy: -220.121 Base-Backbone interact. energy: 1.928 local terms energy: -363.573974 where: bonds (distance) C4'-P energy: -96.934 bonds (distance) P-C4' energy: -90.305 flat angles C4'-P-C4' energy: -94.083 flat angles P-C4'-P energy: -61.403 tors. eta vs tors. theta energy: -20.849 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: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2194.296511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.296511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.296511 (E_RNA) where: Base-Base interactions energy: -1543.840 where: short stacking energy: -599.457 Base-Backbone interact. energy: -5.438 local terms energy: -645.018970 where: bonds (distance) C4'-P energy: -122.746 bonds (distance) P-C4' energy: -119.898 flat angles C4'-P-C4' energy: -139.983 flat angles P-C4'-P energy: -97.986 tors. eta vs tors. theta energy: -164.406 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: 2, replica: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2145.325768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.325768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.325768 (E_RNA) where: Base-Base interactions energy: -1464.590 where: short stacking energy: -657.987 Base-Backbone interact. energy: -2.438 local terms energy: -678.298489 where: bonds (distance) C4'-P energy: -118.364 bonds (distance) P-C4' energy: -120.724 flat angles C4'-P-C4' energy: -148.407 flat angles P-C4'-P energy: -102.470 tors. eta vs tors. theta energy: -188.334 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: 3, replica: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2071.936627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.936627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.936627 (E_RNA) where: Base-Base interactions energy: -1436.183 where: short stacking energy: -591.935 Base-Backbone interact. energy: -3.548 local terms energy: -632.205807 where: bonds (distance) C4'-P energy: -109.751 bonds (distance) P-C4' energy: -137.132 flat angles C4'-P-C4' energy: -117.483 flat angles P-C4'-P energy: -98.116 tors. eta vs tors. theta energy: -169.725 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: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1860.110759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.110759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.110759 (E_RNA) where: Base-Base interactions energy: -1289.371 where: short stacking energy: -552.665 Base-Backbone interact. energy: -3.209 local terms energy: -567.530571 where: bonds (distance) C4'-P energy: -104.543 bonds (distance) P-C4' energy: -97.231 flat angles C4'-P-C4' energy: -138.309 flat angles P-C4'-P energy: -78.261 tors. eta vs tors. theta energy: -149.187 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: 6 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1769.858410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.858410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.858410 (E_RNA) where: Base-Base interactions energy: -1197.428 where: short stacking energy: -505.231 Base-Backbone interact. energy: -4.624 local terms energy: -567.805832 where: bonds (distance) C4'-P energy: -106.254 bonds (distance) P-C4' energy: -107.973 flat angles C4'-P-C4' energy: -121.420 flat angles P-C4'-P energy: -91.847 tors. eta vs tors. theta energy: -140.313 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: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1491.231833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.231833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.231833 (E_RNA) where: Base-Base interactions energy: -1006.484 where: short stacking energy: -423.337 Base-Backbone interact. energy: 0.091 local terms energy: -484.838764 where: bonds (distance) C4'-P energy: -86.832 bonds (distance) P-C4' energy: -117.569 flat angles C4'-P-C4' energy: -106.418 flat angles P-C4'-P energy: -74.905 tors. eta vs tors. theta energy: -99.116 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: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1208.207553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.207553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.207553 (E_RNA) where: Base-Base interactions energy: -759.578 where: short stacking energy: -357.753 Base-Backbone interact. energy: -0.905 local terms energy: -447.724183 where: bonds (distance) C4'-P energy: -98.912 bonds (distance) P-C4' energy: -123.311 flat angles C4'-P-C4' energy: -96.212 flat angles P-C4'-P energy: -68.232 tors. eta vs tors. theta energy: -61.057 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: 8, replica: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1208.499028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.499028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.499028 (E_RNA) where: Base-Base interactions energy: -749.294 where: short stacking energy: -347.871 Base-Backbone interact. energy: -4.893 local terms energy: -454.312502 where: bonds (distance) C4'-P energy: -107.345 bonds (distance) P-C4' energy: -109.301 flat angles C4'-P-C4' energy: -106.929 flat angles P-C4'-P energy: -60.843 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: 9, replica: 2 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -953.956350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.956350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.956350 (E_RNA) where: Base-Base interactions energy: -573.360 where: short stacking energy: -290.560 Base-Backbone interact. energy: 4.787 local terms energy: -385.382833 where: bonds (distance) C4'-P energy: -98.177 bonds (distance) P-C4' energy: -116.865 flat angles C4'-P-C4' energy: -106.471 flat angles P-C4'-P energy: -37.755 tors. eta vs tors. theta energy: -26.115 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: 10, replica: 5 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -804.220697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.220697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.220697 (E_RNA) where: Base-Base interactions energy: -439.009 where: short stacking energy: -238.733 Base-Backbone interact. energy: 1.747 local terms energy: -366.959002 where: bonds (distance) C4'-P energy: -111.064 bonds (distance) P-C4' energy: -101.844 flat angles C4'-P-C4' energy: -81.453 flat angles P-C4'-P energy: -44.295 tors. eta vs tors. theta energy: -28.303 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: 1, replica: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2204.882382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.882382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.882382 (E_RNA) where: Base-Base interactions energy: -1540.602 where: short stacking energy: -614.173 Base-Backbone interact. energy: -0.129 local terms energy: -664.150572 where: bonds (distance) C4'-P energy: -127.490 bonds (distance) P-C4' energy: -123.670 flat angles C4'-P-C4' energy: -147.954 flat angles P-C4'-P energy: -90.487 tors. eta vs tors. theta energy: -174.549 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: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2165.131426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.131426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.131426 (E_RNA) where: Base-Base interactions energy: -1486.059 where: short stacking energy: -672.734 Base-Backbone interact. energy: -2.624 local terms energy: -676.448254 where: bonds (distance) C4'-P energy: -123.591 bonds (distance) P-C4' energy: -123.616 flat angles C4'-P-C4' energy: -136.367 flat angles P-C4'-P energy: -83.363 tors. eta vs tors. theta energy: -209.512 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: 3, replica: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2114.000985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.000985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.000985 (E_RNA) where: Base-Base interactions energy: -1449.903 where: short stacking energy: -590.032 Base-Backbone interact. energy: -2.919 local terms energy: -661.178704 where: bonds (distance) C4'-P energy: -120.620 bonds (distance) P-C4' energy: -130.538 flat angles C4'-P-C4' energy: -144.896 flat angles P-C4'-P energy: -81.132 tors. eta vs tors. theta energy: -183.992 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: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1898.045852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.045852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.045852 (E_RNA) where: Base-Base interactions energy: -1310.920 where: short stacking energy: -575.736 Base-Backbone interact. energy: -2.534 local terms energy: -584.591643 where: bonds (distance) C4'-P energy: -114.643 bonds (distance) P-C4' energy: -113.760 flat angles C4'-P-C4' energy: -122.548 flat angles P-C4'-P energy: -66.674 tors. eta vs tors. theta energy: -166.967 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: 5, replica: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1764.183013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.183013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.183013 (E_RNA) where: Base-Base interactions energy: -1202.276 where: short stacking energy: -485.589 Base-Backbone interact. energy: -0.357 local terms energy: -561.550790 where: bonds (distance) C4'-P energy: -119.974 bonds (distance) P-C4' energy: -121.704 flat angles C4'-P-C4' energy: -116.911 flat angles P-C4'-P energy: -75.706 tors. eta vs tors. theta energy: -127.256 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: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1520.618930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.618930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.618930 (E_RNA) where: Base-Base interactions energy: -1011.559 where: short stacking energy: -431.192 Base-Backbone interact. energy: -0.765 local terms energy: -508.295026 where: bonds (distance) C4'-P energy: -98.032 bonds (distance) P-C4' energy: -113.509 flat angles C4'-P-C4' energy: -124.683 flat angles P-C4'-P energy: -71.291 tors. eta vs tors. theta energy: -100.781 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: 7, replica: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1251.374099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.374099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.374099 (E_RNA) where: Base-Base interactions energy: -785.774 where: short stacking energy: -363.967 Base-Backbone interact. energy: 1.950 local terms energy: -467.550862 where: bonds (distance) C4'-P energy: -97.836 bonds (distance) P-C4' energy: -112.900 flat angles C4'-P-C4' energy: -108.435 flat angles P-C4'-P energy: -75.201 tors. eta vs tors. theta energy: -73.180 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: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1155.011205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.011205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.011205 (E_RNA) where: Base-Base interactions energy: -693.818 where: short stacking energy: -314.370 Base-Backbone interact. energy: -0.071 local terms energy: -461.122490 where: bonds (distance) C4'-P energy: -95.869 bonds (distance) P-C4' energy: -126.902 flat angles C4'-P-C4' energy: -111.655 flat angles P-C4'-P energy: -65.453 tors. eta vs tors. theta energy: -61.243 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: 9, replica: 2 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -946.134824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.134824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.134824 (E_RNA) where: Base-Base interactions energy: -570.002 where: short stacking energy: -274.759 Base-Backbone interact. energy: 2.189 local terms energy: -378.321090 where: bonds (distance) C4'-P energy: -108.828 bonds (distance) P-C4' energy: -96.320 flat angles C4'-P-C4' energy: -84.863 flat angles P-C4'-P energy: -61.138 tors. eta vs tors. theta energy: -27.172 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: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -808.315858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.315858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.315858 (E_RNA) where: Base-Base interactions energy: -453.058 where: short stacking energy: -225.116 Base-Backbone interact. energy: 2.570 local terms energy: -357.827456 where: bonds (distance) C4'-P energy: -99.071 bonds (distance) P-C4' energy: -93.564 flat angles C4'-P-C4' energy: -73.907 flat angles P-C4'-P energy: -53.249 tors. eta vs tors. theta energy: -38.037 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: 1, replica: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2215.632234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.632234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.632234 (E_RNA) where: Base-Base interactions energy: -1542.916 where: short stacking energy: -629.354 Base-Backbone interact. energy: 2.602 local terms energy: -675.318555 where: bonds (distance) C4'-P energy: -138.253 bonds (distance) P-C4' energy: -118.479 flat angles C4'-P-C4' energy: -141.343 flat angles P-C4'-P energy: -103.066 tors. eta vs tors. theta energy: -174.178 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: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2138.044094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.044094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.044094 (E_RNA) where: Base-Base interactions energy: -1455.929 where: short stacking energy: -655.285 Base-Backbone interact. energy: -2.658 local terms energy: -679.457675 where: bonds (distance) C4'-P energy: -114.455 bonds (distance) P-C4' energy: -136.471 flat angles C4'-P-C4' energy: -138.233 flat angles P-C4'-P energy: -92.082 tors. eta vs tors. theta energy: -198.217 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: 3, replica: 10 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2107.111024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.111024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.111024 (E_RNA) where: Base-Base interactions energy: -1475.888 where: short stacking energy: -643.326 Base-Backbone interact. energy: -2.948 local terms energy: -628.275728 where: bonds (distance) C4'-P energy: -98.661 bonds (distance) P-C4' energy: -121.044 flat angles C4'-P-C4' energy: -136.878 flat angles P-C4'-P energy: -84.624 tors. eta vs tors. theta energy: -187.069 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: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1925.617132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.617132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.617132 (E_RNA) where: Base-Base interactions energy: -1310.552 where: short stacking energy: -571.705 Base-Backbone interact. energy: 1.255 local terms energy: -616.320453 where: bonds (distance) C4'-P energy: -95.177 bonds (distance) P-C4' energy: -128.848 flat angles C4'-P-C4' energy: -140.759 flat angles P-C4'-P energy: -79.491 tors. eta vs tors. theta energy: -172.045 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: 5, replica: 6 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1774.103724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.103724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.103724 (E_RNA) where: Base-Base interactions energy: -1230.787 where: short stacking energy: -518.266 Base-Backbone interact. energy: -2.168 local terms energy: -541.148546 where: bonds (distance) C4'-P energy: -99.835 bonds (distance) P-C4' energy: -118.118 flat angles C4'-P-C4' energy: -117.430 flat angles P-C4'-P energy: -68.580 tors. eta vs tors. theta energy: -137.186 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: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1551.010139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.010139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.010139 (E_RNA) where: Base-Base interactions energy: -1018.380 where: short stacking energy: -436.789 Base-Backbone interact. energy: 0.947 local terms energy: -533.577272 where: bonds (distance) C4'-P energy: -108.581 bonds (distance) P-C4' energy: -123.327 flat angles C4'-P-C4' energy: -112.755 flat angles P-C4'-P energy: -71.234 tors. eta vs tors. theta energy: -117.680 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: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1283.830546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.830546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.830546 (E_RNA) where: Base-Base interactions energy: -812.072 where: short stacking energy: -410.354 Base-Backbone interact. energy: 5.295 local terms energy: -477.053423 where: bonds (distance) C4'-P energy: -98.176 bonds (distance) P-C4' energy: -105.642 flat angles C4'-P-C4' energy: -118.597 flat angles P-C4'-P energy: -62.901 tors. eta vs tors. theta energy: -91.738 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: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1196.417263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.417263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.417263 (E_RNA) where: Base-Base interactions energy: -739.654 where: short stacking energy: -351.226 Base-Backbone interact. energy: 1.575 local terms energy: -458.338321 where: bonds (distance) C4'-P energy: -100.847 bonds (distance) P-C4' energy: -100.342 flat angles C4'-P-C4' energy: -118.917 flat angles P-C4'-P energy: -74.466 tors. eta vs tors. theta energy: -63.767 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: 2 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -969.632733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.632733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.632733 (E_RNA) where: Base-Base interactions energy: -594.567 where: short stacking energy: -286.944 Base-Backbone interact. energy: 0.892 local terms energy: -375.957155 where: bonds (distance) C4'-P energy: -78.913 bonds (distance) P-C4' energy: -108.410 flat angles C4'-P-C4' energy: -98.660 flat angles P-C4'-P energy: -60.282 tors. eta vs tors. theta energy: -29.692 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: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -820.686072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.686072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.686072 (E_RNA) where: Base-Base interactions energy: -462.475 where: short stacking energy: -220.622 Base-Backbone interact. energy: -1.306 local terms energy: -356.905121 where: bonds (distance) C4'-P energy: -83.227 bonds (distance) P-C4' energy: -90.159 flat angles C4'-P-C4' energy: -107.637 flat angles P-C4'-P energy: -61.118 tors. eta vs tors. theta energy: -14.765 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: 1, replica: 1 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2218.684526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.684526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.684526 (E_RNA) where: Base-Base interactions energy: -1546.373 where: short stacking energy: -611.245 Base-Backbone interact. energy: -4.412 local terms energy: -667.899315 where: bonds (distance) C4'-P energy: -121.245 bonds (distance) P-C4' energy: -116.341 flat angles C4'-P-C4' energy: -153.407 flat angles P-C4'-P energy: -99.591 tors. eta vs tors. theta energy: -177.316 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: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2153.194809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.194809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.194809 (E_RNA) where: Base-Base interactions energy: -1472.252 where: short stacking energy: -659.066 Base-Backbone interact. energy: -2.510 local terms energy: -678.433508 where: bonds (distance) C4'-P energy: -125.967 bonds (distance) P-C4' energy: -114.915 flat angles C4'-P-C4' energy: -141.054 flat angles P-C4'-P energy: -90.241 tors. eta vs tors. theta energy: -206.256 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: 3, replica: 10 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2132.407142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.407142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.407142 (E_RNA) where: Base-Base interactions energy: -1469.722 where: short stacking energy: -630.965 Base-Backbone interact. energy: 0.548 local terms energy: -663.232856 where: bonds (distance) C4'-P energy: -125.493 bonds (distance) P-C4' energy: -117.936 flat angles C4'-P-C4' energy: -147.569 flat angles P-C4'-P energy: -91.853 tors. eta vs tors. theta energy: -180.381 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: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1879.857743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.857743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.857743 (E_RNA) where: Base-Base interactions energy: -1256.429 where: short stacking energy: -549.968 Base-Backbone interact. energy: -3.407 local terms energy: -620.021508 where: bonds (distance) C4'-P energy: -102.899 bonds (distance) P-C4' energy: -130.111 flat angles C4'-P-C4' energy: -136.321 flat angles P-C4'-P energy: -86.222 tors. eta vs tors. theta energy: -164.469 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: 5, replica: 6 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1753.192859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.192859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.192859 (E_RNA) where: Base-Base interactions energy: -1192.959 where: short stacking energy: -487.655 Base-Backbone interact. energy: -1.477 local terms energy: -558.756536 where: bonds (distance) C4'-P energy: -101.786 bonds (distance) P-C4' energy: -111.273 flat angles C4'-P-C4' energy: -127.477 flat angles P-C4'-P energy: -85.856 tors. eta vs tors. theta energy: -132.364 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: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1507.455981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.455981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.455981 (E_RNA) where: Base-Base interactions energy: -972.021 where: short stacking energy: -433.017 Base-Backbone interact. energy: -1.777 local terms energy: -533.657460 where: bonds (distance) C4'-P energy: -113.330 bonds (distance) P-C4' energy: -109.288 flat angles C4'-P-C4' energy: -121.228 flat angles P-C4'-P energy: -76.985 tors. eta vs tors. theta energy: -112.826 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: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1271.559489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.559489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.559489 (E_RNA) where: Base-Base interactions energy: -821.780 where: short stacking energy: -370.712 Base-Backbone interact. energy: -2.543 local terms energy: -447.236361 where: bonds (distance) C4'-P energy: -99.832 bonds (distance) P-C4' energy: -113.137 flat angles C4'-P-C4' energy: -104.098 flat angles P-C4'-P energy: -56.196 tors. eta vs tors. theta energy: -73.973 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: 8, replica: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1179.493105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.493105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.493105 (E_RNA) where: Base-Base interactions energy: -755.995 where: short stacking energy: -336.081 Base-Backbone interact. energy: -1.540 local terms energy: -421.957958 where: bonds (distance) C4'-P energy: -85.380 bonds (distance) P-C4' energy: -114.598 flat angles C4'-P-C4' energy: -114.394 flat angles P-C4'-P energy: -54.681 tors. eta vs tors. theta energy: -52.905 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: 9, replica: 2 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -937.810537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.810537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.810537 (E_RNA) where: Base-Base interactions energy: -559.338 where: short stacking energy: -275.231 Base-Backbone interact. energy: -0.341 local terms energy: -378.131989 where: bonds (distance) C4'-P energy: -100.161 bonds (distance) P-C4' energy: -98.606 flat angles C4'-P-C4' energy: -95.222 flat angles P-C4'-P energy: -54.057 tors. eta vs tors. theta energy: -30.086 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: 10, replica: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -824.859529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.859529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.859529 (E_RNA) where: Base-Base interactions energy: -464.847 where: short stacking energy: -222.199 Base-Backbone interact. energy: -2.558 local terms energy: -357.454175 where: bonds (distance) C4'-P energy: -100.287 bonds (distance) P-C4' energy: -100.322 flat angles C4'-P-C4' energy: -109.143 flat angles P-C4'-P energy: -42.826 tors. eta vs tors. theta energy: -4.875 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: 1 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2184.238925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.238925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.238925 (E_RNA) where: Base-Base interactions energy: -1514.715 where: short stacking energy: -606.613 Base-Backbone interact. energy: -2.294 local terms energy: -667.229547 where: bonds (distance) C4'-P energy: -139.021 bonds (distance) P-C4' energy: -133.342 flat angles C4'-P-C4' energy: -135.444 flat angles P-C4'-P energy: -88.828 tors. eta vs tors. theta energy: -170.595 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: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2131.509490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.509490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.509490 (E_RNA) where: Base-Base interactions energy: -1439.252 where: short stacking energy: -650.934 Base-Backbone interact. energy: -2.165 local terms energy: -690.092271 where: bonds (distance) C4'-P energy: -130.196 bonds (distance) P-C4' energy: -126.565 flat angles C4'-P-C4' energy: -130.086 flat angles P-C4'-P energy: -94.216 tors. eta vs tors. theta energy: -209.029 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: 3, replica: 10 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2113.739704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.739704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.739704 (E_RNA) where: Base-Base interactions energy: -1461.109 where: short stacking energy: -616.004 Base-Backbone interact. energy: -2.361 local terms energy: -650.269982 where: bonds (distance) C4'-P energy: -103.845 bonds (distance) P-C4' energy: -133.295 flat angles C4'-P-C4' energy: -134.579 flat angles P-C4'-P energy: -96.646 tors. eta vs tors. theta energy: -181.905 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: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1892.786598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.786598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.786598 (E_RNA) where: Base-Base interactions energy: -1269.783 where: short stacking energy: -547.964 Base-Backbone interact. energy: -3.883 local terms energy: -619.120739 where: bonds (distance) C4'-P energy: -114.899 bonds (distance) P-C4' energy: -128.905 flat angles C4'-P-C4' energy: -137.372 flat angles P-C4'-P energy: -78.169 tors. eta vs tors. theta energy: -159.776 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: 6 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1728.597494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.597494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.597494 (E_RNA) where: Base-Base interactions energy: -1156.799 where: short stacking energy: -479.839 Base-Backbone interact. energy: -0.061 local terms energy: -571.737207 where: bonds (distance) C4'-P energy: -136.086 bonds (distance) P-C4' energy: -116.927 flat angles C4'-P-C4' energy: -124.928 flat angles P-C4'-P energy: -75.982 tors. eta vs tors. theta energy: -117.814 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: 6, replica: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1548.671005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.671005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.671005 (E_RNA) where: Base-Base interactions energy: -1034.634 where: short stacking energy: -485.327 Base-Backbone interact. energy: -1.753 local terms energy: -512.284089 where: bonds (distance) C4'-P energy: -103.614 bonds (distance) P-C4' energy: -90.596 flat angles C4'-P-C4' energy: -125.001 flat angles P-C4'-P energy: -77.826 tors. eta vs tors. theta energy: -115.247 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: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1264.385512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.385512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.385512 (E_RNA) where: Base-Base interactions energy: -800.493 where: short stacking energy: -360.778 Base-Backbone interact. energy: 0.884 local terms energy: -464.776314 where: bonds (distance) C4'-P energy: -106.298 bonds (distance) P-C4' energy: -114.951 flat angles C4'-P-C4' energy: -109.964 flat angles P-C4'-P energy: -60.208 tors. eta vs tors. theta energy: -73.356 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: 8, replica: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1172.516281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.516281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.516281 (E_RNA) where: Base-Base interactions energy: -703.461 where: short stacking energy: -320.131 Base-Backbone interact. energy: -3.126 local terms energy: -465.929261 where: bonds (distance) C4'-P energy: -109.325 bonds (distance) P-C4' energy: -100.676 flat angles C4'-P-C4' energy: -115.166 flat angles P-C4'-P energy: -69.303 tors. eta vs tors. theta energy: -71.460 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: 9, replica: 2 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -985.045286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.045286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.045286 (E_RNA) where: Base-Base interactions energy: -610.657 where: short stacking energy: -288.288 Base-Backbone interact. energy: 1.623 local terms energy: -376.010357 where: bonds (distance) C4'-P energy: -102.701 bonds (distance) P-C4' energy: -104.763 flat angles C4'-P-C4' energy: -80.499 flat angles P-C4'-P energy: -54.536 tors. eta vs tors. theta energy: -33.512 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: 10, replica: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -815.214083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.214083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.214083 (E_RNA) where: Base-Base interactions energy: -487.133 where: short stacking energy: -227.447 Base-Backbone interact. energy: 1.687 local terms energy: -329.767682 where: bonds (distance) C4'-P energy: -88.249 bonds (distance) P-C4' energy: -111.726 flat angles C4'-P-C4' energy: -75.933 flat angles P-C4'-P energy: -56.869 tors. eta vs tors. theta energy: 3.008 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: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2192.670749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.670749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.670749 (E_RNA) where: Base-Base interactions energy: -1537.590 where: short stacking energy: -630.318 Base-Backbone interact. energy: -0.980 local terms energy: -654.101238 where: bonds (distance) C4'-P energy: -124.890 bonds (distance) P-C4' energy: -122.235 flat angles C4'-P-C4' energy: -139.598 flat angles P-C4'-P energy: -90.264 tors. eta vs tors. theta energy: -177.114 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: 2, replica: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2129.572674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.572674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.572674 (E_RNA) where: Base-Base interactions energy: -1436.563 where: short stacking energy: -640.314 Base-Backbone interact. energy: -1.073 local terms energy: -691.935856 where: bonds (distance) C4'-P energy: -126.614 bonds (distance) P-C4' energy: -134.537 flat angles C4'-P-C4' energy: -131.097 flat angles P-C4'-P energy: -92.013 tors. eta vs tors. theta energy: -207.674 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: 3, replica: 10 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2096.011387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.011387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.011387 (E_RNA) where: Base-Base interactions energy: -1452.480 where: short stacking energy: -608.225 Base-Backbone interact. energy: -4.090 local terms energy: -639.441555 where: bonds (distance) C4'-P energy: -115.935 bonds (distance) P-C4' energy: -120.047 flat angles C4'-P-C4' energy: -133.488 flat angles P-C4'-P energy: -86.917 tors. eta vs tors. theta energy: -183.055 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: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1883.349694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.349694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.349694 (E_RNA) where: Base-Base interactions energy: -1289.213 where: short stacking energy: -547.088 Base-Backbone interact. energy: -2.018 local terms energy: -592.119298 where: bonds (distance) C4'-P energy: -106.977 bonds (distance) P-C4' energy: -114.061 flat angles C4'-P-C4' energy: -134.005 flat angles P-C4'-P energy: -88.228 tors. eta vs tors. theta energy: -148.848 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: 6 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1779.043673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.043673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.043673 (E_RNA) where: Base-Base interactions energy: -1203.588 where: short stacking energy: -522.794 Base-Backbone interact. energy: -3.943 local terms energy: -571.512132 where: bonds (distance) C4'-P energy: -113.114 bonds (distance) P-C4' energy: -117.680 flat angles C4'-P-C4' energy: -127.757 flat angles P-C4'-P energy: -67.488 tors. eta vs tors. theta energy: -145.472 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: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1581.158015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.158015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.158015 (E_RNA) where: Base-Base interactions energy: -1050.757 where: short stacking energy: -479.890 Base-Backbone interact. energy: 2.193 local terms energy: -532.594516 where: bonds (distance) C4'-P energy: -111.640 bonds (distance) P-C4' energy: -99.959 flat angles C4'-P-C4' energy: -115.671 flat angles P-C4'-P energy: -80.562 tors. eta vs tors. theta energy: -124.763 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: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1298.939198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.939198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.939198 (E_RNA) where: Base-Base interactions energy: -858.849 where: short stacking energy: -369.678 Base-Backbone interact. energy: -2.159 local terms energy: -437.930265 where: bonds (distance) C4'-P energy: -101.048 bonds (distance) P-C4' energy: -99.461 flat angles C4'-P-C4' energy: -106.744 flat angles P-C4'-P energy: -58.257 tors. eta vs tors. theta energy: -72.420 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: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1186.761348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.761348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.761348 (E_RNA) where: Base-Base interactions energy: -742.107 where: short stacking energy: -342.305 Base-Backbone interact. energy: 2.502 local terms energy: -447.156005 where: bonds (distance) C4'-P energy: -91.101 bonds (distance) P-C4' energy: -106.836 flat angles C4'-P-C4' energy: -116.059 flat angles P-C4'-P energy: -69.046 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: 9, replica: 2 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -990.015678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.015678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.015678 (E_RNA) where: Base-Base interactions energy: -584.667 where: short stacking energy: -280.270 Base-Backbone interact. energy: 1.059 local terms energy: -406.407714 where: bonds (distance) C4'-P energy: -105.487 bonds (distance) P-C4' energy: -94.898 flat angles C4'-P-C4' energy: -109.047 flat angles P-C4'-P energy: -60.420 tors. eta vs tors. theta energy: -36.557 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: 10, replica: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -792.636825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.636825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.636825 (E_RNA) where: Base-Base interactions energy: -439.168 where: short stacking energy: -214.252 Base-Backbone interact. energy: 0.238 local terms energy: -353.707393 where: bonds (distance) C4'-P energy: -91.565 bonds (distance) P-C4' energy: -99.128 flat angles C4'-P-C4' energy: -93.021 flat angles P-C4'-P energy: -59.840 tors. eta vs tors. theta energy: -10.154 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: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2200.417466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.417466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.417466 (E_RNA) where: Base-Base interactions energy: -1523.817 where: short stacking energy: -587.179 Base-Backbone interact. energy: -6.022 local terms energy: -670.577937 where: bonds (distance) C4'-P energy: -129.706 bonds (distance) P-C4' energy: -138.152 flat angles C4'-P-C4' energy: -145.557 flat angles P-C4'-P energy: -96.123 tors. eta vs tors. theta energy: -161.039 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: 2, replica: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2133.781100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.781100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.781100 (E_RNA) where: Base-Base interactions energy: -1455.462 where: short stacking energy: -640.728 Base-Backbone interact. energy: -1.696 local terms energy: -676.622952 where: bonds (distance) C4'-P energy: -111.630 bonds (distance) P-C4' energy: -134.174 flat angles C4'-P-C4' energy: -148.443 flat angles P-C4'-P energy: -88.743 tors. eta vs tors. theta energy: -193.633 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: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2106.056074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.056074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.056074 (E_RNA) where: Base-Base interactions energy: -1439.928 where: short stacking energy: -624.375 Base-Backbone interact. energy: -5.667 local terms energy: -660.461038 where: bonds (distance) C4'-P energy: -114.301 bonds (distance) P-C4' energy: -123.968 flat angles C4'-P-C4' energy: -134.875 flat angles P-C4'-P energy: -97.323 tors. eta vs tors. theta energy: -189.994 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: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1858.306090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.306090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.306090 (E_RNA) where: Base-Base interactions energy: -1244.643 where: short stacking energy: -554.356 Base-Backbone interact. energy: -0.033 local terms energy: -613.630157 where: bonds (distance) C4'-P energy: -108.596 bonds (distance) P-C4' energy: -123.898 flat angles C4'-P-C4' energy: -132.367 flat angles P-C4'-P energy: -85.196 tors. eta vs tors. theta energy: -163.572 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: 5, replica: 6 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1746.849339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.849339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.849339 (E_RNA) where: Base-Base interactions energy: -1155.915 where: short stacking energy: -498.683 Base-Backbone interact. energy: -4.466 local terms energy: -586.467836 where: bonds (distance) C4'-P energy: -127.993 bonds (distance) P-C4' energy: -121.623 flat angles C4'-P-C4' energy: -123.845 flat angles P-C4'-P energy: -81.771 tors. eta vs tors. theta energy: -131.236 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: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1575.356962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.356962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.356962 (E_RNA) where: Base-Base interactions energy: -1035.392 where: short stacking energy: -444.814 Base-Backbone interact. energy: 5.959 local terms energy: -545.924039 where: bonds (distance) C4'-P energy: -116.300 bonds (distance) P-C4' energy: -104.708 flat angles C4'-P-C4' energy: -123.299 flat angles P-C4'-P energy: -81.131 tors. eta vs tors. theta energy: -120.487 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: 7, replica: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1371.104742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.104742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.104742 (E_RNA) where: Base-Base interactions energy: -827.885 where: short stacking energy: -379.727 Base-Backbone interact. energy: -1.493 local terms energy: -541.727065 where: bonds (distance) C4'-P energy: -110.690 bonds (distance) P-C4' energy: -121.765 flat angles C4'-P-C4' energy: -119.002 flat angles P-C4'-P energy: -89.194 tors. eta vs tors. theta energy: -101.076 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: 8, replica: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1189.790945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.790945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.790945 (E_RNA) where: Base-Base interactions energy: -745.417 where: short stacking energy: -335.201 Base-Backbone interact. energy: -0.359 local terms energy: -444.015120 where: bonds (distance) C4'-P energy: -81.285 bonds (distance) P-C4' energy: -117.855 flat angles C4'-P-C4' energy: -97.817 flat angles P-C4'-P energy: -76.444 tors. eta vs tors. theta energy: -70.613 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: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -942.227454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.227454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.227454 (E_RNA) where: Base-Base interactions energy: -552.266 where: short stacking energy: -261.861 Base-Backbone interact. energy: -2.816 local terms energy: -387.145393 where: bonds (distance) C4'-P energy: -106.803 bonds (distance) P-C4' energy: -100.776 flat angles C4'-P-C4' energy: -93.630 flat angles P-C4'-P energy: -54.903 tors. eta vs tors. theta energy: -31.033 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: 5 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -800.593847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.593847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.593847 (E_RNA) where: Base-Base interactions energy: -426.558 where: short stacking energy: -209.356 Base-Backbone interact. energy: 2.487 local terms energy: -376.523253 where: bonds (distance) C4'-P energy: -101.288 bonds (distance) P-C4' energy: -101.226 flat angles C4'-P-C4' energy: -87.960 flat angles P-C4'-P energy: -72.722 tors. eta vs tors. theta energy: -13.327 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: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2182.567712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.567712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.567712 (E_RNA) where: Base-Base interactions energy: -1539.167 where: short stacking energy: -607.820 Base-Backbone interact. energy: -3.658 local terms energy: -639.742292 where: bonds (distance) C4'-P energy: -121.648 bonds (distance) P-C4' energy: -120.292 flat angles C4'-P-C4' energy: -134.538 flat angles P-C4'-P energy: -101.915 tors. eta vs tors. theta energy: -161.349 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: 2, replica: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2168.427141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.427141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.427141 (E_RNA) where: Base-Base interactions energy: -1498.756 where: short stacking energy: -634.517 Base-Backbone interact. energy: -3.245 local terms energy: -666.425417 where: bonds (distance) C4'-P energy: -111.443 bonds (distance) P-C4' energy: -133.386 flat angles C4'-P-C4' energy: -138.318 flat angles P-C4'-P energy: -91.105 tors. eta vs tors. theta energy: -192.172 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: 3, replica: 7 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2075.005655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.005655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.005655 (E_RNA) where: Base-Base interactions energy: -1423.209 where: short stacking energy: -609.316 Base-Backbone interact. energy: -2.126 local terms energy: -649.670155 where: bonds (distance) C4'-P energy: -117.129 bonds (distance) P-C4' energy: -117.130 flat angles C4'-P-C4' energy: -137.452 flat angles P-C4'-P energy: -91.457 tors. eta vs tors. theta energy: -186.502 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: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1910.399853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.399853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.399853 (E_RNA) where: Base-Base interactions energy: -1292.665 where: short stacking energy: -591.155 Base-Backbone interact. energy: 4.907 local terms energy: -622.641874 where: bonds (distance) C4'-P energy: -109.813 bonds (distance) P-C4' energy: -126.080 flat angles C4'-P-C4' energy: -131.487 flat angles P-C4'-P energy: -72.916 tors. eta vs tors. theta energy: -182.347 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: 5, replica: 6 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1747.781544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.781544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.781544 (E_RNA) where: Base-Base interactions energy: -1194.739 where: short stacking energy: -479.589 Base-Backbone interact. energy: -3.243 local terms energy: -549.799439 where: bonds (distance) C4'-P energy: -114.231 bonds (distance) P-C4' energy: -111.979 flat angles C4'-P-C4' energy: -118.248 flat angles P-C4'-P energy: -84.022 tors. eta vs tors. theta energy: -121.320 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: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1578.014121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.014121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.014121 (E_RNA) where: Base-Base interactions energy: -1061.535 where: short stacking energy: -471.992 Base-Backbone interact. energy: -3.779 local terms energy: -512.700830 where: bonds (distance) C4'-P energy: -106.111 bonds (distance) P-C4' energy: -114.101 flat angles C4'-P-C4' energy: -101.469 flat angles P-C4'-P energy: -74.871 tors. eta vs tors. theta energy: -116.149 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: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1373.756966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.756966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.756966 (E_RNA) where: Base-Base interactions energy: -880.072 where: short stacking energy: -393.683 Base-Backbone interact. energy: -0.949 local terms energy: -492.735746 where: bonds (distance) C4'-P energy: -112.023 bonds (distance) P-C4' energy: -116.374 flat angles C4'-P-C4' energy: -111.377 flat angles P-C4'-P energy: -66.033 tors. eta vs tors. theta energy: -86.928 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: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1159.922692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.922692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.922692 (E_RNA) where: Base-Base interactions energy: -733.752 where: short stacking energy: -338.455 Base-Backbone interact. energy: 6.507 local terms energy: -432.678103 where: bonds (distance) C4'-P energy: -115.781 bonds (distance) P-C4' energy: -99.961 flat angles C4'-P-C4' energy: -91.837 flat angles P-C4'-P energy: -70.388 tors. eta vs tors. theta energy: -54.711 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: 9, replica: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -976.692966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.692966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.692966 (E_RNA) where: Base-Base interactions energy: -589.290 where: short stacking energy: -284.373 Base-Backbone interact. energy: -1.395 local terms energy: -386.007904 where: bonds (distance) C4'-P energy: -99.737 bonds (distance) P-C4' energy: -100.320 flat angles C4'-P-C4' energy: -87.640 flat angles P-C4'-P energy: -57.501 tors. eta vs tors. theta energy: -40.810 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: 10, replica: 5 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -799.628696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.628696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.628696 (E_RNA) where: Base-Base interactions energy: -427.556 where: short stacking energy: -214.696 Base-Backbone interact. energy: 3.952 local terms energy: -376.024484 where: bonds (distance) C4'-P energy: -107.541 bonds (distance) P-C4' energy: -115.174 flat angles C4'-P-C4' energy: -90.821 flat angles P-C4'-P energy: -52.562 tors. eta vs tors. theta energy: -9.926 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: 1 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2223.856529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.856529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.856529 (E_RNA) where: Base-Base interactions energy: -1538.664 where: short stacking energy: -619.611 Base-Backbone interact. energy: -4.708 local terms energy: -680.484198 where: bonds (distance) C4'-P energy: -131.525 bonds (distance) P-C4' energy: -131.753 flat angles C4'-P-C4' energy: -149.246 flat angles P-C4'-P energy: -95.066 tors. eta vs tors. theta energy: -172.895 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: 2, replica: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2150.612140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.612140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.612140 (E_RNA) where: Base-Base interactions energy: -1510.787 where: short stacking energy: -629.354 Base-Backbone interact. energy: -1.804 local terms energy: -638.021288 where: bonds (distance) C4'-P energy: -117.605 bonds (distance) P-C4' energy: -115.060 flat angles C4'-P-C4' energy: -144.840 flat angles P-C4'-P energy: -79.088 tors. eta vs tors. theta energy: -181.428 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: 3, replica: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2114.503031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.503031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.503031 (E_RNA) where: Base-Base interactions energy: -1440.601 where: short stacking energy: -622.943 Base-Backbone interact. energy: -4.701 local terms energy: -669.200628 where: bonds (distance) C4'-P energy: -116.156 bonds (distance) P-C4' energy: -117.790 flat angles C4'-P-C4' energy: -142.065 flat angles P-C4'-P energy: -93.075 tors. eta vs tors. theta energy: -200.115 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: 4 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1920.854370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.854370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.854370 (E_RNA) where: Base-Base interactions energy: -1295.793 where: short stacking energy: -572.642 Base-Backbone interact. energy: 3.430 local terms energy: -628.490539 where: bonds (distance) C4'-P energy: -108.065 bonds (distance) P-C4' energy: -119.550 flat angles C4'-P-C4' energy: -136.255 flat angles P-C4'-P energy: -86.119 tors. eta vs tors. theta energy: -178.501 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: 5, replica: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1742.518383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.518383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.518383 (E_RNA) where: Base-Base interactions energy: -1164.992 where: short stacking energy: -491.939 Base-Backbone interact. energy: -2.710 local terms energy: -574.816371 where: bonds (distance) C4'-P energy: -106.601 bonds (distance) P-C4' energy: -116.772 flat angles C4'-P-C4' energy: -127.957 flat angles P-C4'-P energy: -74.945 tors. eta vs tors. theta energy: -148.541 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: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1577.845564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.845564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.845564 (E_RNA) where: Base-Base interactions energy: -1051.641 where: short stacking energy: -450.035 Base-Backbone interact. energy: 0.821 local terms energy: -527.025022 where: bonds (distance) C4'-P energy: -104.128 bonds (distance) P-C4' energy: -113.584 flat angles C4'-P-C4' energy: -125.877 flat angles P-C4'-P energy: -72.125 tors. eta vs tors. theta energy: -111.312 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: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1293.228829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.228829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.228829 (E_RNA) where: Base-Base interactions energy: -799.874 where: short stacking energy: -363.355 Base-Backbone interact. energy: 6.789 local terms energy: -500.143758 where: bonds (distance) C4'-P energy: -109.814 bonds (distance) P-C4' energy: -124.689 flat angles C4'-P-C4' energy: -111.606 flat angles P-C4'-P energy: -72.094 tors. eta vs tors. theta energy: -81.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1172.395001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.395001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.395001 (E_RNA) where: Base-Base interactions energy: -725.899 where: short stacking energy: -334.041 Base-Backbone interact. energy: -3.960 local terms energy: -442.536288 where: bonds (distance) C4'-P energy: -92.256 bonds (distance) P-C4' energy: -91.073 flat angles C4'-P-C4' energy: -121.545 flat angles P-C4'-P energy: -76.365 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: 9, replica: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -964.707154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.707154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.707154 (E_RNA) where: Base-Base interactions energy: -572.161 where: short stacking energy: -268.732 Base-Backbone interact. energy: 2.406 local terms energy: -394.952266 where: bonds (distance) C4'-P energy: -94.090 bonds (distance) P-C4' energy: -107.853 flat angles C4'-P-C4' energy: -101.885 flat angles P-C4'-P energy: -63.396 tors. eta vs tors. theta energy: -27.729 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: 10, replica: 5 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -805.550974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.550974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.550974 (E_RNA) where: Base-Base interactions energy: -449.412 where: short stacking energy: -235.146 Base-Backbone interact. energy: -0.637 local terms energy: -355.502207 where: bonds (distance) C4'-P energy: -109.423 bonds (distance) P-C4' energy: -77.011 flat angles C4'-P-C4' energy: -92.367 flat angles P-C4'-P energy: -54.065 tors. eta vs tors. theta energy: -22.636 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: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2202.425970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.425970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.425970 (E_RNA) where: Base-Base interactions energy: -1535.537 where: short stacking energy: -604.206 Base-Backbone interact. energy: 2.899 local terms energy: -669.787727 where: bonds (distance) C4'-P energy: -133.813 bonds (distance) P-C4' energy: -131.055 flat angles C4'-P-C4' energy: -131.327 flat angles P-C4'-P energy: -103.371 tors. eta vs tors. theta energy: -170.222 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: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2161.455953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.455953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.455953 (E_RNA) where: Base-Base interactions energy: -1483.867 where: short stacking energy: -633.769 Base-Backbone interact. energy: -2.102 local terms energy: -675.487332 where: bonds (distance) C4'-P energy: -128.806 bonds (distance) P-C4' energy: -134.611 flat angles C4'-P-C4' energy: -135.799 flat angles P-C4'-P energy: -94.215 tors. eta vs tors. theta energy: -182.057 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: 7 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2094.330824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.330824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.330824 (E_RNA) where: Base-Base interactions energy: -1426.155 where: short stacking energy: -613.826 Base-Backbone interact. energy: -2.642 local terms energy: -665.533687 where: bonds (distance) C4'-P energy: -121.517 bonds (distance) P-C4' energy: -129.023 flat angles C4'-P-C4' energy: -126.606 flat angles P-C4'-P energy: -100.056 tors. eta vs tors. theta energy: -188.332 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: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1909.208335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.208335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.208335 (E_RNA) where: Base-Base interactions energy: -1314.530 where: short stacking energy: -575.243 Base-Backbone interact. energy: 0.041 local terms energy: -594.719915 where: bonds (distance) C4'-P energy: -101.351 bonds (distance) P-C4' energy: -100.564 flat angles C4'-P-C4' energy: -129.589 flat angles P-C4'-P energy: -94.583 tors. eta vs tors. theta energy: -168.632 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: 6 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1747.594453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.594453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.594453 (E_RNA) where: Base-Base interactions energy: -1197.289 where: short stacking energy: -465.781 Base-Backbone interact. energy: -1.807 local terms energy: -548.497506 where: bonds (distance) C4'-P energy: -123.529 bonds (distance) P-C4' energy: -110.894 flat angles C4'-P-C4' energy: -120.492 flat angles P-C4'-P energy: -70.126 tors. eta vs tors. theta energy: -123.456 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: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1565.717860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.717860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.717860 (E_RNA) where: Base-Base interactions energy: -1035.159 where: short stacking energy: -462.979 Base-Backbone interact. energy: -1.288 local terms energy: -529.270662 where: bonds (distance) C4'-P energy: -105.328 bonds (distance) P-C4' energy: -105.831 flat angles C4'-P-C4' energy: -125.025 flat angles P-C4'-P energy: -81.786 tors. eta vs tors. theta energy: -111.301 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: 7, replica: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1315.306939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.306939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.306939 (E_RNA) where: Base-Base interactions energy: -833.413 where: short stacking energy: -360.981 Base-Backbone interact. energy: 0.388 local terms energy: -482.281905 where: bonds (distance) C4'-P energy: -99.071 bonds (distance) P-C4' energy: -124.754 flat angles C4'-P-C4' energy: -110.769 flat angles P-C4'-P energy: -71.356 tors. eta vs tors. theta energy: -76.332 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: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1168.937288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.937288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.937288 (E_RNA) where: Base-Base interactions energy: -730.324 where: short stacking energy: -329.866 Base-Backbone interact. energy: -0.827 local terms energy: -437.786473 where: bonds (distance) C4'-P energy: -99.322 bonds (distance) P-C4' energy: -115.912 flat angles C4'-P-C4' energy: -92.564 flat angles P-C4'-P energy: -67.572 tors. eta vs tors. theta energy: -62.417 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: 9, replica: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -994.277608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.277608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.277608 (E_RNA) where: Base-Base interactions energy: -589.214 where: short stacking energy: -269.310 Base-Backbone interact. energy: -0.908 local terms energy: -404.155589 where: bonds (distance) C4'-P energy: -103.750 bonds (distance) P-C4' energy: -89.704 flat angles C4'-P-C4' energy: -106.801 flat angles P-C4'-P energy: -62.628 tors. eta vs tors. theta energy: -41.273 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: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -943.507136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.507136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.507136 (E_RNA) where: Base-Base interactions energy: -569.669 where: short stacking energy: -257.091 Base-Backbone interact. energy: 2.061 local terms energy: -375.899243 where: bonds (distance) C4'-P energy: -111.900 bonds (distance) P-C4' energy: -88.388 flat angles C4'-P-C4' energy: -95.620 flat angles P-C4'-P energy: -53.294 tors. eta vs tors. theta energy: -26.696 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: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2180.744285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.744285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.744285 (E_RNA) where: Base-Base interactions energy: -1548.844 where: short stacking energy: -602.486 Base-Backbone interact. energy: -5.533 local terms energy: -626.367143 where: bonds (distance) C4'-P energy: -122.684 bonds (distance) P-C4' energy: -126.615 flat angles C4'-P-C4' energy: -135.063 flat angles P-C4'-P energy: -84.049 tors. eta vs tors. theta energy: -157.957 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: 2, replica: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2143.904868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.904868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.904868 (E_RNA) where: Base-Base interactions energy: -1450.089 where: short stacking energy: -635.874 Base-Backbone interact. energy: -0.369 local terms energy: -693.446886 where: bonds (distance) C4'-P energy: -124.158 bonds (distance) P-C4' energy: -127.064 flat angles C4'-P-C4' energy: -149.325 flat angles P-C4'-P energy: -88.632 tors. eta vs tors. theta energy: -204.268 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: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2120.395726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.395726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.395726 (E_RNA) where: Base-Base interactions energy: -1466.821 where: short stacking energy: -639.622 Base-Backbone interact. energy: -1.160 local terms energy: -652.414749 where: bonds (distance) C4'-P energy: -121.329 bonds (distance) P-C4' energy: -96.775 flat angles C4'-P-C4' energy: -139.274 flat angles P-C4'-P energy: -104.413 tors. eta vs tors. theta energy: -190.623 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: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1905.782641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.782641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.782641 (E_RNA) where: Base-Base interactions energy: -1293.863 where: short stacking energy: -570.389 Base-Backbone interact. energy: -3.192 local terms energy: -608.728414 where: bonds (distance) C4'-P energy: -120.813 bonds (distance) P-C4' energy: -132.517 flat angles C4'-P-C4' energy: -120.059 flat angles P-C4'-P energy: -68.657 tors. eta vs tors. theta energy: -166.682 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: 5, replica: 6 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1730.965041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.965041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.965041 (E_RNA) where: Base-Base interactions energy: -1170.231 where: short stacking energy: -475.289 Base-Backbone interact. energy: -2.044 local terms energy: -558.690880 where: bonds (distance) C4'-P energy: -114.109 bonds (distance) P-C4' energy: -109.311 flat angles C4'-P-C4' energy: -132.373 flat angles P-C4'-P energy: -86.658 tors. eta vs tors. theta energy: -116.239 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: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1594.165229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.165229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.165229 (E_RNA) where: Base-Base interactions energy: -1064.986 where: short stacking energy: -470.870 Base-Backbone interact. energy: -3.610 local terms energy: -525.569612 where: bonds (distance) C4'-P energy: -98.054 bonds (distance) P-C4' energy: -104.688 flat angles C4'-P-C4' energy: -115.205 flat angles P-C4'-P energy: -76.984 tors. eta vs tors. theta energy: -130.638 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: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1405.349137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.349137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.349137 (E_RNA) where: Base-Base interactions energy: -891.457 where: short stacking energy: -420.119 Base-Backbone interact. energy: -2.427 local terms energy: -511.464866 where: bonds (distance) C4'-P energy: -100.579 bonds (distance) P-C4' energy: -123.890 flat angles C4'-P-C4' energy: -118.996 flat angles P-C4'-P energy: -68.380 tors. eta vs tors. theta energy: -99.621 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: 8, replica: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1161.784436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.784436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.784436 (E_RNA) where: Base-Base interactions energy: -730.582 where: short stacking energy: -316.501 Base-Backbone interact. energy: 1.545 local terms energy: -432.747356 where: bonds (distance) C4'-P energy: -117.040 bonds (distance) P-C4' energy: -109.768 flat angles C4'-P-C4' energy: -106.056 flat angles P-C4'-P energy: -43.970 tors. eta vs tors. theta energy: -55.914 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: 9, replica: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -970.801504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.801504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.801504 (E_RNA) where: Base-Base interactions energy: -561.253 where: short stacking energy: -274.488 Base-Backbone interact. energy: -0.642 local terms energy: -408.906792 where: bonds (distance) C4'-P energy: -86.570 bonds (distance) P-C4' energy: -102.265 flat angles C4'-P-C4' energy: -111.563 flat angles P-C4'-P energy: -64.988 tors. eta vs tors. theta energy: -43.521 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: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -889.768487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.768487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.768487 (E_RNA) where: Base-Base interactions energy: -540.453 where: short stacking energy: -250.597 Base-Backbone interact. energy: -0.129 local terms energy: -349.186975 where: bonds (distance) C4'-P energy: -111.344 bonds (distance) P-C4' energy: -86.069 flat angles C4'-P-C4' energy: -90.889 flat angles P-C4'-P energy: -46.506 tors. eta vs tors. theta energy: -14.379 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: 1 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2173.995221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.995221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.995221 (E_RNA) where: Base-Base interactions energy: -1540.407 where: short stacking energy: -611.743 Base-Backbone interact. energy: -4.013 local terms energy: -629.574527 where: bonds (distance) C4'-P energy: -121.539 bonds (distance) P-C4' energy: -129.917 flat angles C4'-P-C4' energy: -124.278 flat angles P-C4'-P energy: -87.415 tors. eta vs tors. theta energy: -166.425 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: 2, replica: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2152.248609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.248609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.248609 (E_RNA) where: Base-Base interactions energy: -1479.748 where: short stacking energy: -648.836 Base-Backbone interact. energy: -2.938 local terms energy: -669.563068 where: bonds (distance) C4'-P energy: -111.969 bonds (distance) P-C4' energy: -127.625 flat angles C4'-P-C4' energy: -141.472 flat angles P-C4'-P energy: -99.012 tors. eta vs tors. theta energy: -189.485 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: 3, replica: 10 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2126.532819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.532819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.532819 (E_RNA) where: Base-Base interactions energy: -1471.025 where: short stacking energy: -626.003 Base-Backbone interact. energy: -1.957 local terms energy: -653.551183 where: bonds (distance) C4'-P energy: -114.458 bonds (distance) P-C4' energy: -123.359 flat angles C4'-P-C4' energy: -136.204 flat angles P-C4'-P energy: -93.174 tors. eta vs tors. theta energy: -186.356 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: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1905.122203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.122203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.122203 (E_RNA) where: Base-Base interactions energy: -1292.924 where: short stacking energy: -560.477 Base-Backbone interact. energy: -0.909 local terms energy: -611.289263 where: bonds (distance) C4'-P energy: -105.182 bonds (distance) P-C4' energy: -113.045 flat angles C4'-P-C4' energy: -135.495 flat angles P-C4'-P energy: -102.295 tors. eta vs tors. theta energy: -155.273 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: 5, replica: 6 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1772.160275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.160275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.160275 (E_RNA) where: Base-Base interactions energy: -1213.576 where: short stacking energy: -475.752 Base-Backbone interact. energy: -0.472 local terms energy: -558.112380 where: bonds (distance) C4'-P energy: -106.219 bonds (distance) P-C4' energy: -114.960 flat angles C4'-P-C4' energy: -127.862 flat angles P-C4'-P energy: -92.172 tors. eta vs tors. theta energy: -116.898 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: 6, replica: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1604.993547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.993547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.993547 (E_RNA) where: Base-Base interactions energy: -1100.627 where: short stacking energy: -468.194 Base-Backbone interact. energy: 2.791 local terms energy: -507.157990 where: bonds (distance) C4'-P energy: -105.653 bonds (distance) P-C4' energy: -100.476 flat angles C4'-P-C4' energy: -114.787 flat angles P-C4'-P energy: -66.737 tors. eta vs tors. theta energy: -119.506 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: 7, replica: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1341.256581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.256581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.256581 (E_RNA) where: Base-Base interactions energy: -840.230 where: short stacking energy: -417.113 Base-Backbone interact. energy: -1.527 local terms energy: -499.500336 where: bonds (distance) C4'-P energy: -101.187 bonds (distance) P-C4' energy: -116.809 flat angles C4'-P-C4' energy: -116.375 flat angles P-C4'-P energy: -62.724 tors. eta vs tors. theta energy: -102.406 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: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1161.540323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.540323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.540323 (E_RNA) where: Base-Base interactions energy: -715.971 where: short stacking energy: -320.766 Base-Backbone interact. energy: -1.473 local terms energy: -444.096144 where: bonds (distance) C4'-P energy: -104.118 bonds (distance) P-C4' energy: -104.320 flat angles C4'-P-C4' energy: -88.498 flat angles P-C4'-P energy: -84.240 tors. eta vs tors. theta energy: -62.920 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: 9, replica: 5 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -948.394734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.394734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.394734 (E_RNA) where: Base-Base interactions energy: -550.668 where: short stacking energy: -267.919 Base-Backbone interact. energy: 0.812 local terms energy: -398.538160 where: bonds (distance) C4'-P energy: -90.958 bonds (distance) P-C4' energy: -100.314 flat angles C4'-P-C4' energy: -109.151 flat angles P-C4'-P energy: -66.609 tors. eta vs tors. theta energy: -31.506 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: 10, replica: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -882.241320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.241320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.241320 (E_RNA) where: Base-Base interactions energy: -511.249 where: short stacking energy: -234.513 Base-Backbone interact. energy: -1.745 local terms energy: -369.247188 where: bonds (distance) C4'-P energy: -113.869 bonds (distance) P-C4' energy: -109.300 flat angles C4'-P-C4' energy: -83.058 flat angles P-C4'-P energy: -37.603 tors. eta vs tors. theta energy: -25.417 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: 1 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2214.883227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.883227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.883227 (E_RNA) where: Base-Base interactions energy: -1549.147 where: short stacking energy: -621.310 Base-Backbone interact. energy: -2.173 local terms energy: -663.562521 where: bonds (distance) C4'-P energy: -113.222 bonds (distance) P-C4' energy: -129.973 flat angles C4'-P-C4' energy: -145.402 flat angles P-C4'-P energy: -104.606 tors. eta vs tors. theta energy: -170.360 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: 2, replica: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2151.916837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.916837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.916837 (E_RNA) where: Base-Base interactions energy: -1507.481 where: short stacking energy: -639.601 Base-Backbone interact. energy: -2.919 local terms energy: -641.516900 where: bonds (distance) C4'-P energy: -114.307 bonds (distance) P-C4' energy: -114.551 flat angles C4'-P-C4' energy: -142.039 flat angles P-C4'-P energy: -86.550 tors. eta vs tors. theta energy: -184.070 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: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2101.700079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.700079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.700079 (E_RNA) where: Base-Base interactions energy: -1439.077 where: short stacking energy: -641.825 Base-Backbone interact. energy: 0.069 local terms energy: -662.692300 where: bonds (distance) C4'-P energy: -118.915 bonds (distance) P-C4' energy: -112.078 flat angles C4'-P-C4' energy: -139.140 flat angles P-C4'-P energy: -96.691 tors. eta vs tors. theta energy: -195.869 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: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1884.393858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.393858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.393858 (E_RNA) where: Base-Base interactions energy: -1279.487 where: short stacking energy: -554.414 Base-Backbone interact. energy: -1.960 local terms energy: -602.946908 where: bonds (distance) C4'-P energy: -120.647 bonds (distance) P-C4' energy: -116.378 flat angles C4'-P-C4' energy: -124.772 flat angles P-C4'-P energy: -77.075 tors. eta vs tors. theta energy: -164.076 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: 5, replica: 6 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1745.960751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.960751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.960751 (E_RNA) where: Base-Base interactions energy: -1208.283 where: short stacking energy: -475.648 Base-Backbone interact. energy: -1.848 local terms energy: -535.829795 where: bonds (distance) C4'-P energy: -111.787 bonds (distance) P-C4' energy: -111.915 flat angles C4'-P-C4' energy: -120.777 flat angles P-C4'-P energy: -83.192 tors. eta vs tors. theta energy: -108.159 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: 6, replica: 8 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1597.478548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.478548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.478548 (E_RNA) where: Base-Base interactions energy: -1045.497 where: short stacking energy: -456.442 Base-Backbone interact. energy: -0.171 local terms energy: -551.810678 where: bonds (distance) C4'-P energy: -106.285 bonds (distance) P-C4' energy: -122.530 flat angles C4'-P-C4' energy: -125.835 flat angles P-C4'-P energy: -85.588 tors. eta vs tors. theta energy: -111.573 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: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1298.063688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.063688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.063688 (E_RNA) where: Base-Base interactions energy: -818.240 where: short stacking energy: -360.094 Base-Backbone interact. energy: 1.006 local terms energy: -480.829224 where: bonds (distance) C4'-P energy: -113.214 bonds (distance) P-C4' energy: -111.994 flat angles C4'-P-C4' energy: -103.617 flat angles P-C4'-P energy: -69.792 tors. eta vs tors. theta energy: -82.213 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: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1115.668427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.668427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.668427 (E_RNA) where: Base-Base interactions energy: -671.640 where: short stacking energy: -325.020 Base-Backbone interact. energy: 2.393 local terms energy: -446.421673 where: bonds (distance) C4'-P energy: -97.970 bonds (distance) P-C4' energy: -89.747 flat angles C4'-P-C4' energy: -120.037 flat angles P-C4'-P energy: -74.830 tors. eta vs tors. theta energy: -63.837 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: 9, replica: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -862.590065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.590065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.590065 (E_RNA) where: Base-Base interactions energy: -488.379 where: short stacking energy: -240.026 Base-Backbone interact. energy: -2.237 local terms energy: -371.974353 where: bonds (distance) C4'-P energy: -91.699 bonds (distance) P-C4' energy: -113.350 flat angles C4'-P-C4' energy: -74.009 flat angles P-C4'-P energy: -65.876 tors. eta vs tors. theta energy: -27.040 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: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -851.812462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.812462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.812462 (E_RNA) where: Base-Base interactions energy: -488.647 where: short stacking energy: -241.640 Base-Backbone interact. energy: -2.164 local terms energy: -361.001697 where: bonds (distance) C4'-P energy: -95.858 bonds (distance) P-C4' energy: -98.157 flat angles C4'-P-C4' energy: -88.454 flat angles P-C4'-P energy: -62.310 tors. eta vs tors. theta energy: -16.222 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: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2199.016057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.016057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.016057 (E_RNA) where: Base-Base interactions energy: -1532.234 where: short stacking energy: -606.650 Base-Backbone interact. energy: -5.396 local terms energy: -661.386247 where: bonds (distance) C4'-P energy: -134.720 bonds (distance) P-C4' energy: -132.737 flat angles C4'-P-C4' energy: -132.183 flat angles P-C4'-P energy: -99.765 tors. eta vs tors. theta energy: -161.981 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: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2141.534424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.534424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.534424 (E_RNA) where: Base-Base interactions energy: -1473.087 where: short stacking energy: -640.607 Base-Backbone interact. energy: -1.843 local terms energy: -666.604694 where: bonds (distance) C4'-P energy: -122.813 bonds (distance) P-C4' energy: -117.569 flat angles C4'-P-C4' energy: -136.802 flat angles P-C4'-P energy: -96.607 tors. eta vs tors. theta energy: -192.815 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: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2112.394023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.394023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.394023 (E_RNA) where: Base-Base interactions energy: -1467.851 where: short stacking energy: -615.776 Base-Backbone interact. energy: -2.631 local terms energy: -641.911785 where: bonds (distance) C4'-P energy: -119.172 bonds (distance) P-C4' energy: -110.840 flat angles C4'-P-C4' energy: -127.064 flat angles P-C4'-P energy: -90.646 tors. eta vs tors. theta energy: -194.191 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: 4, replica: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1913.717509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.717509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.717509 (E_RNA) where: Base-Base interactions energy: -1306.983 where: short stacking energy: -585.524 Base-Backbone interact. energy: -2.597 local terms energy: -604.137549 where: bonds (distance) C4'-P energy: -113.520 bonds (distance) P-C4' energy: -110.300 flat angles C4'-P-C4' energy: -131.326 flat angles P-C4'-P energy: -69.085 tors. eta vs tors. theta energy: -179.906 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: 6 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1739.320017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.320017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.320017 (E_RNA) where: Base-Base interactions energy: -1187.649 where: short stacking energy: -491.639 Base-Backbone interact. energy: -3.051 local terms energy: -548.620747 where: bonds (distance) C4'-P energy: -93.168 bonds (distance) P-C4' energy: -108.773 flat angles C4'-P-C4' energy: -129.643 flat angles P-C4'-P energy: -87.952 tors. eta vs tors. theta energy: -129.085 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: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1613.611649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.611649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.611649 (E_RNA) where: Base-Base interactions energy: -1071.999 where: short stacking energy: -463.825 Base-Backbone interact. energy: -0.843 local terms energy: -540.769142 where: bonds (distance) C4'-P energy: -106.853 bonds (distance) P-C4' energy: -100.399 flat angles C4'-P-C4' energy: -129.148 flat angles P-C4'-P energy: -84.859 tors. eta vs tors. theta energy: -119.511 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: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1279.779695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.779695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.779695 (E_RNA) where: Base-Base interactions energy: -809.268 where: short stacking energy: -372.259 Base-Backbone interact. energy: 2.804 local terms energy: -473.314957 where: bonds (distance) C4'-P energy: -94.673 bonds (distance) P-C4' energy: -117.380 flat angles C4'-P-C4' energy: -116.682 flat angles P-C4'-P energy: -63.767 tors. eta vs tors. theta energy: -80.813 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: 8, replica: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1107.085044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.085044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.085044 (E_RNA) where: Base-Base interactions energy: -716.658 where: short stacking energy: -332.320 Base-Backbone interact. energy: -0.775 local terms energy: -389.652284 where: bonds (distance) C4'-P energy: -95.849 bonds (distance) P-C4' energy: -107.173 flat angles C4'-P-C4' energy: -87.049 flat angles P-C4'-P energy: -45.214 tors. eta vs tors. theta energy: -54.367 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: 2 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -876.920525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.920525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.920525 (E_RNA) where: Base-Base interactions energy: -523.648 where: short stacking energy: -262.316 Base-Backbone interact. energy: -0.261 local terms energy: -353.012087 where: bonds (distance) C4'-P energy: -91.103 bonds (distance) P-C4' energy: -112.371 flat angles C4'-P-C4' energy: -92.617 flat angles P-C4'-P energy: -37.151 tors. eta vs tors. theta energy: -19.770 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: 5 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -833.557857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.557857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.557857 (E_RNA) where: Base-Base interactions energy: -447.147 where: short stacking energy: -229.276 Base-Backbone interact. energy: 4.107 local terms energy: -390.517382 where: bonds (distance) C4'-P energy: -106.301 bonds (distance) P-C4' energy: -117.945 flat angles C4'-P-C4' energy: -105.619 flat angles P-C4'-P energy: -55.864 tors. eta vs tors. theta energy: -4.789 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: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2205.825993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.825993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.825993 (E_RNA) where: Base-Base interactions energy: -1555.575 where: short stacking energy: -631.244 Base-Backbone interact. energy: -5.513 local terms energy: -644.737611 where: bonds (distance) C4'-P energy: -113.809 bonds (distance) P-C4' energy: -126.545 flat angles C4'-P-C4' energy: -141.615 flat angles P-C4'-P energy: -93.620 tors. eta vs tors. theta energy: -169.148 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: 2, replica: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2158.782744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.782744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.782744 (E_RNA) where: Base-Base interactions energy: -1479.285 where: short stacking energy: -637.349 Base-Backbone interact. energy: -2.046 local terms energy: -677.451331 where: bonds (distance) C4'-P energy: -109.857 bonds (distance) P-C4' energy: -130.387 flat angles C4'-P-C4' energy: -143.148 flat angles P-C4'-P energy: -91.465 tors. eta vs tors. theta energy: -202.595 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: 287 Temperature: 1.000000 Total energy: -2084.165387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.165387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.165387 (E_RNA) where: Base-Base interactions energy: -1438.405 where: short stacking energy: -616.531 Base-Backbone interact. energy: -3.724 local terms energy: -642.036295 where: bonds (distance) C4'-P energy: -128.803 bonds (distance) P-C4' energy: -117.799 flat angles C4'-P-C4' energy: -137.165 flat angles P-C4'-P energy: -85.119 tors. eta vs tors. theta energy: -173.150 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: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1896.641935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.641935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.641935 (E_RNA) where: Base-Base interactions energy: -1293.363 where: short stacking energy: -573.268 Base-Backbone interact. energy: 1.656 local terms energy: -604.934449 where: bonds (distance) C4'-P energy: -115.273 bonds (distance) P-C4' energy: -124.650 flat angles C4'-P-C4' energy: -125.939 flat angles P-C4'-P energy: -73.716 tors. eta vs tors. theta energy: -165.356 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: 6 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1720.890694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.890694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.890694 (E_RNA) where: Base-Base interactions energy: -1195.751 where: short stacking energy: -478.540 Base-Backbone interact. energy: 1.106 local terms energy: -526.245249 where: bonds (distance) C4'-P energy: -110.467 bonds (distance) P-C4' energy: -113.323 flat angles C4'-P-C4' energy: -114.812 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -115.989 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: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1635.949547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.949547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.949547 (E_RNA) where: Base-Base interactions energy: -1087.761 where: short stacking energy: -482.887 Base-Backbone interact. energy: -2.020 local terms energy: -546.168833 where: bonds (distance) C4'-P energy: -92.080 bonds (distance) P-C4' energy: -135.271 flat angles C4'-P-C4' energy: -118.168 flat angles P-C4'-P energy: -72.092 tors. eta vs tors. theta energy: -128.559 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: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1329.043852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.043852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.043852 (E_RNA) where: Base-Base interactions energy: -877.917 where: short stacking energy: -368.067 Base-Backbone interact. energy: -4.048 local terms energy: -447.078343 where: bonds (distance) C4'-P energy: -107.277 bonds (distance) P-C4' energy: -108.081 flat angles C4'-P-C4' energy: -95.056 flat angles P-C4'-P energy: -58.181 tors. eta vs tors. theta energy: -78.484 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: 8, replica: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1089.607481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.607481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.607481 (E_RNA) where: Base-Base interactions energy: -666.073 where: short stacking energy: -318.171 Base-Backbone interact. energy: 0.655 local terms energy: -424.189230 where: bonds (distance) C4'-P energy: -112.842 bonds (distance) P-C4' energy: -106.618 flat angles C4'-P-C4' energy: -83.696 flat angles P-C4'-P energy: -67.279 tors. eta vs tors. theta energy: -53.755 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: 9, replica: 2 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -877.458025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.458025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.458025 (E_RNA) where: Base-Base interactions energy: -501.246 where: short stacking energy: -249.341 Base-Backbone interact. energy: -1.836 local terms energy: -374.376619 where: bonds (distance) C4'-P energy: -102.010 bonds (distance) P-C4' energy: -103.555 flat angles C4'-P-C4' energy: -89.130 flat angles P-C4'-P energy: -54.981 tors. eta vs tors. theta energy: -24.700 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: 5 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -791.727048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.727048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.727048 (E_RNA) where: Base-Base interactions energy: -419.148 where: short stacking energy: -212.960 Base-Backbone interact. energy: 0.090 local terms energy: -372.669285 where: bonds (distance) C4'-P energy: -102.820 bonds (distance) P-C4' energy: -104.012 flat angles C4'-P-C4' energy: -84.736 flat angles P-C4'-P energy: -58.967 tors. eta vs tors. theta energy: -22.135 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: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2210.300553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.300553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.300553 (E_RNA) where: Base-Base interactions energy: -1514.104 where: short stacking energy: -664.735 Base-Backbone interact. energy: -2.854 local terms energy: -693.343079 where: bonds (distance) C4'-P energy: -110.851 bonds (distance) P-C4' energy: -133.869 flat angles C4'-P-C4' energy: -146.153 flat angles P-C4'-P energy: -97.699 tors. eta vs tors. theta energy: -204.771 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: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2162.522627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.522627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.522627 (E_RNA) where: Base-Base interactions energy: -1530.103 where: short stacking energy: -619.313 Base-Backbone interact. energy: 2.737 local terms energy: -635.157255 where: bonds (distance) C4'-P energy: -113.291 bonds (distance) P-C4' energy: -118.017 flat angles C4'-P-C4' energy: -142.465 flat angles P-C4'-P energy: -92.434 tors. eta vs tors. theta energy: -168.951 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: 10 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2158.158440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.158440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.158440 (E_RNA) where: Base-Base interactions energy: -1500.620 where: short stacking energy: -619.472 Base-Backbone interact. energy: -2.196 local terms energy: -655.341634 where: bonds (distance) C4'-P energy: -116.957 bonds (distance) P-C4' energy: -122.464 flat angles C4'-P-C4' energy: -138.495 flat angles P-C4'-P energy: -91.450 tors. eta vs tors. theta energy: -185.974 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: 4, replica: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1932.186002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.186002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.186002 (E_RNA) where: Base-Base interactions energy: -1314.755 where: short stacking energy: -596.242 Base-Backbone interact. energy: -1.783 local terms energy: -615.648216 where: bonds (distance) C4'-P energy: -105.683 bonds (distance) P-C4' energy: -120.716 flat angles C4'-P-C4' energy: -124.287 flat angles P-C4'-P energy: -93.191 tors. eta vs tors. theta energy: -171.772 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: 6 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1743.548583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.548583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.548583 (E_RNA) where: Base-Base interactions energy: -1164.541 where: short stacking energy: -481.006 Base-Backbone interact. energy: -2.962 local terms energy: -576.045673 where: bonds (distance) C4'-P energy: -125.552 bonds (distance) P-C4' energy: -110.972 flat angles C4'-P-C4' energy: -121.304 flat angles P-C4'-P energy: -85.303 tors. eta vs tors. theta energy: -132.914 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: 6, replica: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1596.565432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.565432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.565432 (E_RNA) where: Base-Base interactions energy: -1082.839 where: short stacking energy: -437.805 Base-Backbone interact. energy: -3.594 local terms energy: -510.132883 where: bonds (distance) C4'-P energy: -86.069 bonds (distance) P-C4' energy: -103.208 flat angles C4'-P-C4' energy: -115.965 flat angles P-C4'-P energy: -92.531 tors. eta vs tors. theta energy: -112.359 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: 7, replica: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1265.619336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.619336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.619336 (E_RNA) where: Base-Base interactions energy: -775.994 where: short stacking energy: -344.250 Base-Backbone interact. energy: 5.891 local terms energy: -495.517180 where: bonds (distance) C4'-P energy: -110.124 bonds (distance) P-C4' energy: -97.675 flat angles C4'-P-C4' energy: -121.730 flat angles P-C4'-P energy: -88.402 tors. eta vs tors. theta energy: -77.587 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: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1064.902837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.902837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.902837 (E_RNA) where: Base-Base interactions energy: -631.869 where: short stacking energy: -295.303 Base-Backbone interact. energy: -2.332 local terms energy: -430.701800 where: bonds (distance) C4'-P energy: -106.031 bonds (distance) P-C4' energy: -102.111 flat angles C4'-P-C4' energy: -113.936 flat angles P-C4'-P energy: -60.426 tors. eta vs tors. theta energy: -48.198 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: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -843.088700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.088700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.088700 (E_RNA) where: Base-Base interactions energy: -473.691 where: short stacking energy: -235.018 Base-Backbone interact. energy: -1.479 local terms energy: -367.918697 where: bonds (distance) C4'-P energy: -97.177 bonds (distance) P-C4' energy: -114.905 flat angles C4'-P-C4' energy: -89.647 flat angles P-C4'-P energy: -57.255 tors. eta vs tors. theta energy: -8.934 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: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -862.849256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.849256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.849256 (E_RNA) where: Base-Base interactions energy: -502.848 where: short stacking energy: -242.939 Base-Backbone interact. energy: -1.078 local terms energy: -358.922671 where: bonds (distance) C4'-P energy: -98.269 bonds (distance) P-C4' energy: -91.649 flat angles C4'-P-C4' energy: -98.931 flat angles P-C4'-P energy: -51.023 tors. eta vs tors. theta energy: -19.051 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: 1, replica: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2222.487740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.487740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.487740 (E_RNA) where: Base-Base interactions energy: -1539.748 where: short stacking energy: -675.945 Base-Backbone interact. energy: -1.575 local terms energy: -681.165074 where: bonds (distance) C4'-P energy: -113.765 bonds (distance) P-C4' energy: -116.399 flat angles C4'-P-C4' energy: -142.713 flat angles P-C4'-P energy: -95.219 tors. eta vs tors. theta energy: -213.069 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: 2, replica: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2127.613182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.613182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.613182 (E_RNA) where: Base-Base interactions energy: -1494.426 where: short stacking energy: -591.418 Base-Backbone interact. energy: -4.474 local terms energy: -628.713094 where: bonds (distance) C4'-P energy: -120.657 bonds (distance) P-C4' energy: -108.679 flat angles C4'-P-C4' energy: -143.330 flat angles P-C4'-P energy: -89.167 tors. eta vs tors. theta energy: -166.880 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: 10 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2100.684189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.684189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.684189 (E_RNA) where: Base-Base interactions energy: -1455.458 where: short stacking energy: -621.389 Base-Backbone interact. energy: -4.805 local terms energy: -640.421403 where: bonds (distance) C4'-P energy: -127.230 bonds (distance) P-C4' energy: -110.257 flat angles C4'-P-C4' energy: -134.064 flat angles P-C4'-P energy: -89.333 tors. eta vs tors. theta energy: -179.537 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: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1893.266680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.266680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.266680 (E_RNA) where: Base-Base interactions energy: -1289.194 where: short stacking energy: -539.673 Base-Backbone interact. energy: -2.897 local terms energy: -601.175562 where: bonds (distance) C4'-P energy: -116.720 bonds (distance) P-C4' energy: -114.916 flat angles C4'-P-C4' energy: -128.911 flat angles P-C4'-P energy: -86.926 tors. eta vs tors. theta energy: -153.703 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: 6 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1789.546399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.546399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.546399 (E_RNA) where: Base-Base interactions energy: -1194.635 where: short stacking energy: -524.310 Base-Backbone interact. energy: -2.510 local terms energy: -592.401714 where: bonds (distance) C4'-P energy: -108.875 bonds (distance) P-C4' energy: -130.801 flat angles C4'-P-C4' energy: -130.914 flat angles P-C4'-P energy: -76.133 tors. eta vs tors. theta energy: -145.679 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: 6, replica: 8 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1597.346326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.346326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.346326 (E_RNA) where: Base-Base interactions energy: -1085.774 where: short stacking energy: -492.006 Base-Backbone interact. energy: -1.362 local terms energy: -510.210479 where: bonds (distance) C4'-P energy: -91.760 bonds (distance) P-C4' energy: -106.737 flat angles C4'-P-C4' energy: -128.036 flat angles P-C4'-P energy: -67.982 tors. eta vs tors. theta energy: -115.697 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: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1287.466860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.466860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.466860 (E_RNA) where: Base-Base interactions energy: -811.972 where: short stacking energy: -371.471 Base-Backbone interact. energy: -2.092 local terms energy: -473.402783 where: bonds (distance) C4'-P energy: -106.767 bonds (distance) P-C4' energy: -106.986 flat angles C4'-P-C4' energy: -106.222 flat angles P-C4'-P energy: -83.616 tors. eta vs tors. theta energy: -69.811 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: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1067.996676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.996676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.996676 (E_RNA) where: Base-Base interactions energy: -648.644 where: short stacking energy: -324.630 Base-Backbone interact. energy: -2.408 local terms energy: -416.944361 where: bonds (distance) C4'-P energy: -98.877 bonds (distance) P-C4' energy: -95.300 flat angles C4'-P-C4' energy: -97.603 flat angles P-C4'-P energy: -68.359 tors. eta vs tors. theta energy: -56.806 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: 9, replica: 5 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -877.708055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.708055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.708055 (E_RNA) where: Base-Base interactions energy: -464.682 where: short stacking energy: -223.845 Base-Backbone interact. energy: -0.202 local terms energy: -412.824281 where: bonds (distance) C4'-P energy: -94.266 bonds (distance) P-C4' energy: -113.329 flat angles C4'-P-C4' energy: -108.204 flat angles P-C4'-P energy: -49.493 tors. eta vs tors. theta energy: -47.532 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: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -871.761486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.761486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.761486 (E_RNA) where: Base-Base interactions energy: -491.285 where: short stacking energy: -230.424 Base-Backbone interact. energy: 0.109 local terms energy: -380.584579 where: bonds (distance) C4'-P energy: -101.087 bonds (distance) P-C4' energy: -108.872 flat angles C4'-P-C4' energy: -93.277 flat angles P-C4'-P energy: -50.163 tors. eta vs tors. theta energy: -27.186 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: 1, replica: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2182.831053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.831053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.831053 (E_RNA) where: Base-Base interactions energy: -1535.322 where: short stacking energy: -608.299 Base-Backbone interact. energy: -7.050 local terms energy: -640.458844 where: bonds (distance) C4'-P energy: -125.840 bonds (distance) P-C4' energy: -131.182 flat angles C4'-P-C4' energy: -140.381 flat angles P-C4'-P energy: -80.673 tors. eta vs tors. theta energy: -162.382 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: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2168.228110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.228110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.228110 (E_RNA) where: Base-Base interactions energy: -1467.028 where: short stacking energy: -641.795 Base-Backbone interact. energy: -1.114 local terms energy: -700.086169 where: bonds (distance) C4'-P energy: -127.985 bonds (distance) P-C4' energy: -130.380 flat angles C4'-P-C4' energy: -144.352 flat angles P-C4'-P energy: -98.595 tors. eta vs tors. theta energy: -198.775 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: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2038.388378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.388378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.388378 (E_RNA) where: Base-Base interactions energy: -1399.401 where: short stacking energy: -597.680 Base-Backbone interact. energy: -1.954 local terms energy: -637.032397 where: bonds (distance) C4'-P energy: -113.471 bonds (distance) P-C4' energy: -109.408 flat angles C4'-P-C4' energy: -142.359 flat angles P-C4'-P energy: -96.874 tors. eta vs tors. theta energy: -174.921 Dist. restrs. and SS energy: 0.000 (S_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: 290 Temperature: 1.050000 Total energy: -1938.591154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.591154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.591154 (E_RNA) where: Base-Base interactions energy: -1335.793 where: short stacking energy: -567.759 Base-Backbone interact. energy: 0.023 local terms energy: -602.821554 where: bonds (distance) C4'-P energy: -110.809 bonds (distance) P-C4' energy: -110.786 flat angles C4'-P-C4' energy: -136.955 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -164.477 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: 5, replica: 6 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1777.896322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.896322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.896322 (E_RNA) where: Base-Base interactions energy: -1249.048 where: short stacking energy: -519.375 Base-Backbone interact. energy: -0.322 local terms energy: -528.526289 where: bonds (distance) C4'-P energy: -96.032 bonds (distance) P-C4' energy: -95.753 flat angles C4'-P-C4' energy: -129.240 flat angles P-C4'-P energy: -73.187 tors. eta vs tors. theta energy: -134.316 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: 8 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1650.896930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.896930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.896930 (E_RNA) where: Base-Base interactions energy: -1131.828 where: short stacking energy: -516.263 Base-Backbone interact. energy: 3.693 local terms energy: -522.761722 where: bonds (distance) C4'-P energy: -98.488 bonds (distance) P-C4' energy: -101.849 flat angles C4'-P-C4' energy: -105.477 flat angles P-C4'-P energy: -76.266 tors. eta vs tors. theta energy: -140.681 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: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1374.447576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.447576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.447576 (E_RNA) where: Base-Base interactions energy: -900.232 where: short stacking energy: -407.258 Base-Backbone interact. energy: -1.311 local terms energy: -472.904079 where: bonds (distance) C4'-P energy: -95.099 bonds (distance) P-C4' energy: -104.455 flat angles C4'-P-C4' energy: -110.752 flat angles P-C4'-P energy: -72.243 tors. eta vs tors. theta energy: -90.355 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: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1052.963352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.963352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.963352 (E_RNA) where: Base-Base interactions energy: -641.812 where: short stacking energy: -317.131 Base-Backbone interact. energy: 4.711 local terms energy: -415.862549 where: bonds (distance) C4'-P energy: -94.760 bonds (distance) P-C4' energy: -96.865 flat angles C4'-P-C4' energy: -102.279 flat angles P-C4'-P energy: -71.927 tors. eta vs tors. theta energy: -50.031 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: 9, replica: 2 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -981.988806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.988806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.988806 (E_RNA) where: Base-Base interactions energy: -580.318 where: short stacking energy: -293.403 Base-Backbone interact. energy: 0.049 local terms energy: -401.720169 where: bonds (distance) C4'-P energy: -114.087 bonds (distance) P-C4' energy: -100.618 flat angles C4'-P-C4' energy: -82.249 flat angles P-C4'-P energy: -45.605 tors. eta vs tors. theta energy: -59.162 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: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -788.991355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.991355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.991355 (E_RNA) where: Base-Base interactions energy: -425.832 where: short stacking energy: -231.431 Base-Backbone interact. energy: 2.552 local terms energy: -365.711614 where: bonds (distance) C4'-P energy: -91.519 bonds (distance) P-C4' energy: -104.846 flat angles C4'-P-C4' energy: -82.003 flat angles P-C4'-P energy: -63.196 tors. eta vs tors. theta energy: -24.148 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: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2194.636515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.636515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.636515 (E_RNA) where: Base-Base interactions energy: -1542.252 where: short stacking energy: -607.608 Base-Backbone interact. energy: -5.288 local terms energy: -647.096893 where: bonds (distance) C4'-P energy: -118.516 bonds (distance) P-C4' energy: -128.482 flat angles C4'-P-C4' energy: -141.182 flat angles P-C4'-P energy: -91.488 tors. eta vs tors. theta energy: -167.429 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: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2152.448866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.448866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.448866 (E_RNA) where: Base-Base interactions energy: -1470.404 where: short stacking energy: -648.284 Base-Backbone interact. energy: 0.300 local terms energy: -682.345163 where: bonds (distance) C4'-P energy: -129.752 bonds (distance) P-C4' energy: -120.254 flat angles C4'-P-C4' energy: -134.854 flat angles P-C4'-P energy: -94.675 tors. eta vs tors. theta energy: -202.810 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: 3, replica: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2092.585797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.585797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.585797 (E_RNA) where: Base-Base interactions energy: -1435.405 where: short stacking energy: -600.752 Base-Backbone interact. energy: -1.162 local terms energy: -656.019014 where: bonds (distance) C4'-P energy: -116.613 bonds (distance) P-C4' energy: -128.748 flat angles C4'-P-C4' energy: -140.234 flat angles P-C4'-P energy: -95.288 tors. eta vs tors. theta energy: -175.136 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: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1936.727117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.727117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.727117 (E_RNA) where: Base-Base interactions energy: -1326.827 where: short stacking energy: -545.162 Base-Backbone interact. energy: -3.395 local terms energy: -606.504699 where: bonds (distance) C4'-P energy: -111.765 bonds (distance) P-C4' energy: -132.771 flat angles C4'-P-C4' energy: -123.933 flat angles P-C4'-P energy: -80.822 tors. eta vs tors. theta energy: -157.213 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: 5, replica: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1813.741650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.741650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.741650 (E_RNA) where: Base-Base interactions energy: -1237.101 where: short stacking energy: -550.640 Base-Backbone interact. energy: 1.358 local terms energy: -577.998573 where: bonds (distance) C4'-P energy: -99.427 bonds (distance) P-C4' energy: -113.057 flat angles C4'-P-C4' energy: -135.147 flat angles P-C4'-P energy: -70.986 tors. eta vs tors. theta energy: -159.382 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: 6, replica: 8 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1649.321072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.321072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.321072 (E_RNA) where: Base-Base interactions energy: -1080.977 where: short stacking energy: -470.732 Base-Backbone interact. energy: 1.185 local terms energy: -569.529254 where: bonds (distance) C4'-P energy: -117.306 bonds (distance) P-C4' energy: -116.899 flat angles C4'-P-C4' energy: -123.747 flat angles P-C4'-P energy: -79.598 tors. eta vs tors. theta energy: -131.980 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: 7, replica: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1472.479453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.479453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.479453 (E_RNA) where: Base-Base interactions energy: -956.827 where: short stacking energy: -430.035 Base-Backbone interact. energy: 1.307 local terms energy: -516.959266 where: bonds (distance) C4'-P energy: -105.993 bonds (distance) P-C4' energy: -111.652 flat angles C4'-P-C4' energy: -112.153 flat angles P-C4'-P energy: -85.639 tors. eta vs tors. theta energy: -101.524 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: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1028.933904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.933904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.933904 (E_RNA) where: Base-Base interactions energy: -593.182 where: short stacking energy: -278.561 Base-Backbone interact. energy: 1.244 local terms energy: -436.995895 where: bonds (distance) C4'-P energy: -117.558 bonds (distance) P-C4' energy: -101.806 flat angles C4'-P-C4' energy: -106.266 flat angles P-C4'-P energy: -47.801 tors. eta vs tors. theta energy: -63.565 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: 9, replica: 2 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -977.592483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.592483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.592483 (E_RNA) where: Base-Base interactions energy: -560.978 where: short stacking energy: -280.063 Base-Backbone interact. energy: -2.330 local terms energy: -414.283979 where: bonds (distance) C4'-P energy: -109.180 bonds (distance) P-C4' energy: -105.540 flat angles C4'-P-C4' energy: -101.145 flat angles P-C4'-P energy: -52.381 tors. eta vs tors. theta energy: -46.037 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: 10, replica: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -791.494698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.494698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.494698 (E_RNA) where: Base-Base interactions energy: -461.149 where: short stacking energy: -243.237 Base-Backbone interact. energy: 1.135 local terms energy: -331.480751 where: bonds (distance) C4'-P energy: -90.803 bonds (distance) P-C4' energy: -96.658 flat angles C4'-P-C4' energy: -70.234 flat angles P-C4'-P energy: -56.787 tors. eta vs tors. theta energy: -17.000 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: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2224.799386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.799386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.799386 (E_RNA) where: Base-Base interactions energy: -1565.543 where: short stacking energy: -636.792 Base-Backbone interact. energy: -3.672 local terms energy: -655.584029 where: bonds (distance) C4'-P energy: -125.577 bonds (distance) P-C4' energy: -122.270 flat angles C4'-P-C4' energy: -145.000 flat angles P-C4'-P energy: -90.504 tors. eta vs tors. theta energy: -172.232 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: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2130.385058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.385058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.385058 (E_RNA) where: Base-Base interactions energy: -1439.113 where: short stacking energy: -651.537 Base-Backbone interact. energy: -3.803 local terms energy: -687.468886 where: bonds (distance) C4'-P energy: -114.030 bonds (distance) P-C4' energy: -128.839 flat angles C4'-P-C4' energy: -144.758 flat angles P-C4'-P energy: -101.343 tors. eta vs tors. theta energy: -198.499 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: 10 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2075.124030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.124030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.124030 (E_RNA) where: Base-Base interactions energy: -1437.666 where: short stacking energy: -602.327 Base-Backbone interact. energy: -0.220 local terms energy: -637.238583 where: bonds (distance) C4'-P energy: -119.020 bonds (distance) P-C4' energy: -118.935 flat angles C4'-P-C4' energy: -125.970 flat angles P-C4'-P energy: -96.763 tors. eta vs tors. theta energy: -176.550 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: 4 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1907.954654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.954654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.954654 (E_RNA) where: Base-Base interactions energy: -1318.105 where: short stacking energy: -563.476 Base-Backbone interact. energy: -4.503 local terms energy: -585.346317 where: bonds (distance) C4'-P energy: -107.994 bonds (distance) P-C4' energy: -112.738 flat angles C4'-P-C4' energy: -130.625 flat angles P-C4'-P energy: -78.533 tors. eta vs tors. theta energy: -155.455 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: 5, replica: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1823.551112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.551112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.551112 (E_RNA) where: Base-Base interactions energy: -1221.094 where: short stacking energy: -508.018 Base-Backbone interact. energy: -0.388 local terms energy: -602.068377 where: bonds (distance) C4'-P energy: -129.202 bonds (distance) P-C4' energy: -105.214 flat angles C4'-P-C4' energy: -131.433 flat angles P-C4'-P energy: -73.194 tors. eta vs tors. theta energy: -163.026 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: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1623.998232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.998232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.998232 (E_RNA) where: Base-Base interactions energy: -1078.830 where: short stacking energy: -490.516 Base-Backbone interact. energy: -1.051 local terms energy: -544.117403 where: bonds (distance) C4'-P energy: -99.041 bonds (distance) P-C4' energy: -116.435 flat angles C4'-P-C4' energy: -115.784 flat angles P-C4'-P energy: -80.997 tors. eta vs tors. theta energy: -131.860 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: 7, replica: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1410.480808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.480808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.480808 (E_RNA) where: Base-Base interactions energy: -937.298 where: short stacking energy: -395.284 Base-Backbone interact. energy: -2.145 local terms energy: -471.037819 where: bonds (distance) C4'-P energy: -94.734 bonds (distance) P-C4' energy: -120.281 flat angles C4'-P-C4' energy: -95.922 flat angles P-C4'-P energy: -67.480 tors. eta vs tors. theta energy: -92.621 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: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -954.744922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.744922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.744922 (E_RNA) where: Base-Base interactions energy: -532.447 where: short stacking energy: -260.899 Base-Backbone interact. energy: -0.965 local terms energy: -421.333016 where: bonds (distance) C4'-P energy: -100.314 bonds (distance) P-C4' energy: -112.483 flat angles C4'-P-C4' energy: -106.545 flat angles P-C4'-P energy: -62.753 tors. eta vs tors. theta energy: -39.238 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: 9, replica: 2 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -956.243987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.243987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.243987 (E_RNA) where: Base-Base interactions energy: -553.380 where: short stacking energy: -290.390 Base-Backbone interact. energy: -1.766 local terms energy: -401.097998 where: bonds (distance) C4'-P energy: -98.407 bonds (distance) P-C4' energy: -104.120 flat angles C4'-P-C4' energy: -94.544 flat angles P-C4'-P energy: -51.865 tors. eta vs tors. theta energy: -52.162 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: 5 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -773.073041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.073041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.073041 (E_RNA) where: Base-Base interactions energy: -420.863 where: short stacking energy: -213.442 Base-Backbone interact. energy: -3.850 local terms energy: -348.360094 where: bonds (distance) C4'-P energy: -79.367 bonds (distance) P-C4' energy: -102.597 flat angles C4'-P-C4' energy: -100.654 flat angles P-C4'-P energy: -51.347 tors. eta vs tors. theta energy: -14.395 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: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2182.119147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.119147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.119147 (E_RNA) where: Base-Base interactions energy: -1520.471 where: short stacking energy: -605.077 Base-Backbone interact. energy: -3.216 local terms energy: -658.432315 where: bonds (distance) C4'-P energy: -122.669 bonds (distance) P-C4' energy: -136.367 flat angles C4'-P-C4' energy: -144.204 flat angles P-C4'-P energy: -87.341 tors. eta vs tors. theta energy: -167.851 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: 2, replica: 10 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2119.447869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.447869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.447869 (E_RNA) where: Base-Base interactions energy: -1480.389 where: short stacking energy: -637.376 Base-Backbone interact. energy: -1.946 local terms energy: -637.113788 where: bonds (distance) C4'-P energy: -107.266 bonds (distance) P-C4' energy: -119.702 flat angles C4'-P-C4' energy: -133.106 flat angles P-C4'-P energy: -90.756 tors. eta vs tors. theta energy: -186.285 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: 7 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2081.043174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.043174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.043174 (E_RNA) where: Base-Base interactions energy: -1434.930 where: short stacking energy: -622.129 Base-Backbone interact. energy: 3.335 local terms energy: -649.448009 where: bonds (distance) C4'-P energy: -111.906 bonds (distance) P-C4' energy: -118.083 flat angles C4'-P-C4' energy: -137.029 flat angles P-C4'-P energy: -89.442 tors. eta vs tors. theta energy: -192.988 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: 4 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1899.566319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.566319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.566319 (E_RNA) where: Base-Base interactions energy: -1309.984 where: short stacking energy: -559.441 Base-Backbone interact. energy: -1.200 local terms energy: -588.382136 where: bonds (distance) C4'-P energy: -110.124 bonds (distance) P-C4' energy: -112.047 flat angles C4'-P-C4' energy: -129.537 flat angles P-C4'-P energy: -75.293 tors. eta vs tors. theta energy: -161.381 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: 5, replica: 6 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1784.865953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.865953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.865953 (E_RNA) where: Base-Base interactions energy: -1193.301 where: short stacking energy: -508.477 Base-Backbone interact. energy: 0.662 local terms energy: -592.226857 where: bonds (distance) C4'-P energy: -106.099 bonds (distance) P-C4' energy: -117.908 flat angles C4'-P-C4' energy: -133.106 flat angles P-C4'-P energy: -88.983 tors. eta vs tors. theta energy: -146.130 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: 6, replica: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1655.259276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.259276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.259276 (E_RNA) where: Base-Base interactions energy: -1117.146 where: short stacking energy: -500.162 Base-Backbone interact. energy: -0.873 local terms energy: -537.240271 where: bonds (distance) C4'-P energy: -110.529 bonds (distance) P-C4' energy: -97.822 flat angles C4'-P-C4' energy: -103.029 flat angles P-C4'-P energy: -87.253 tors. eta vs tors. theta energy: -138.607 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: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1360.957839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.957839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.957839 (E_RNA) where: Base-Base interactions energy: -867.987 where: short stacking energy: -377.778 Base-Backbone interact. energy: 7.271 local terms energy: -500.241966 where: bonds (distance) C4'-P energy: -108.479 bonds (distance) P-C4' energy: -112.275 flat angles C4'-P-C4' energy: -116.710 flat angles P-C4'-P energy: -74.623 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: 8, replica: 2 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -989.100113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.100113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.100113 (E_RNA) where: Base-Base interactions energy: -574.629 where: short stacking energy: -295.316 Base-Backbone interact. energy: -3.106 local terms energy: -411.365400 where: bonds (distance) C4'-P energy: -107.071 bonds (distance) P-C4' energy: -109.831 flat angles C4'-P-C4' energy: -99.052 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: -44.338 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: 3 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -819.016898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.016898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.016898 (E_RNA) where: Base-Base interactions energy: -468.369 where: short stacking energy: -239.542 Base-Backbone interact. energy: 3.246 local terms energy: -353.893129 where: bonds (distance) C4'-P energy: -79.101 bonds (distance) P-C4' energy: -113.092 flat angles C4'-P-C4' energy: -102.708 flat angles P-C4'-P energy: -50.141 tors. eta vs tors. theta energy: -8.851 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: 10, replica: 5 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -789.456976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.456976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.456976 (E_RNA) where: Base-Base interactions energy: -437.225 where: short stacking energy: -213.784 Base-Backbone interact. energy: -1.294 local terms energy: -350.938050 where: bonds (distance) C4'-P energy: -86.423 bonds (distance) P-C4' energy: -103.945 flat angles C4'-P-C4' energy: -91.982 flat angles P-C4'-P energy: -55.351 tors. eta vs tors. theta energy: -13.238 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: 294 Temperature: 0.900000 Total energy: -2160.612410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.612410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.612410 (E_RNA) where: Base-Base interactions energy: -1477.247 where: short stacking energy: -639.735 Base-Backbone interact. energy: -4.982 local terms energy: -678.383424 where: bonds (distance) C4'-P energy: -137.630 bonds (distance) P-C4' energy: -125.331 flat angles C4'-P-C4' energy: -141.420 flat angles P-C4'-P energy: -91.868 tors. eta vs tors. theta energy: -182.135 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: 2, replica: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2165.630104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.630104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.630104 (E_RNA) where: Base-Base interactions energy: -1513.384 where: short stacking energy: -606.411 Base-Backbone interact. energy: -7.070 local terms energy: -645.176480 where: bonds (distance) C4'-P energy: -127.586 bonds (distance) P-C4' energy: -122.997 flat angles C4'-P-C4' energy: -136.058 flat angles P-C4'-P energy: -95.883 tors. eta vs tors. theta energy: -162.653 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: 3, replica: 7 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2088.587586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.587586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.587586 (E_RNA) where: Base-Base interactions energy: -1439.498 where: short stacking energy: -629.681 Base-Backbone interact. energy: -2.836 local terms energy: -646.254305 where: bonds (distance) C4'-P energy: -102.962 bonds (distance) P-C4' energy: -116.340 flat angles C4'-P-C4' energy: -141.997 flat angles P-C4'-P energy: -83.325 tors. eta vs tors. theta energy: -201.630 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: 4, replica: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1901.723181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.723181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.723181 (E_RNA) where: Base-Base interactions energy: -1304.130 where: short stacking energy: -554.152 Base-Backbone interact. energy: -4.106 local terms energy: -593.487056 where: bonds (distance) C4'-P energy: -113.859 bonds (distance) P-C4' energy: -123.282 flat angles C4'-P-C4' energy: -126.288 flat angles P-C4'-P energy: -76.341 tors. eta vs tors. theta energy: -153.717 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: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1795.658193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.658193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.658193 (E_RNA) where: Base-Base interactions energy: -1232.626 where: short stacking energy: -529.618 Base-Backbone interact. energy: -0.480 local terms energy: -562.551813 where: bonds (distance) C4'-P energy: -99.850 bonds (distance) P-C4' energy: -117.044 flat angles C4'-P-C4' energy: -133.943 flat angles P-C4'-P energy: -68.954 tors. eta vs tors. theta energy: -142.761 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: 6, replica: 8 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1672.452931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.452931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.452931 (E_RNA) where: Base-Base interactions energy: -1107.728 where: short stacking energy: -503.916 Base-Backbone interact. energy: -0.970 local terms energy: -563.754822 where: bonds (distance) C4'-P energy: -125.710 bonds (distance) P-C4' energy: -85.698 flat angles C4'-P-C4' energy: -126.807 flat angles P-C4'-P energy: -74.986 tors. eta vs tors. theta energy: -150.554 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: 7, replica: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1435.949545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.949545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.949545 (E_RNA) where: Base-Base interactions energy: -917.732 where: short stacking energy: -389.276 Base-Backbone interact. energy: -2.851 local terms energy: -515.366353 where: bonds (distance) C4'-P energy: -115.021 bonds (distance) P-C4' energy: -110.877 flat angles C4'-P-C4' energy: -118.125 flat angles P-C4'-P energy: -80.725 tors. eta vs tors. theta energy: -90.619 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: 8, replica: 2 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1009.905032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.905032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.905032 (E_RNA) where: Base-Base interactions energy: -621.685 where: short stacking energy: -309.575 Base-Backbone interact. energy: -2.353 local terms energy: -385.866682 where: bonds (distance) C4'-P energy: -99.917 bonds (distance) P-C4' energy: -104.274 flat angles C4'-P-C4' energy: -91.862 flat angles P-C4'-P energy: -47.958 tors. eta vs tors. theta energy: -41.856 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: 9, replica: 3 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -849.803570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.803570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.803570 (E_RNA) where: Base-Base interactions energy: -484.321 where: short stacking energy: -258.675 Base-Backbone interact. energy: 2.300 local terms energy: -367.782140 where: bonds (distance) C4'-P energy: -73.612 bonds (distance) P-C4' energy: -104.133 flat angles C4'-P-C4' energy: -110.529 flat angles P-C4'-P energy: -57.781 tors. eta vs tors. theta energy: -21.727 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: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -844.574764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.574764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.574764 (E_RNA) where: Base-Base interactions energy: -450.606 where: short stacking energy: -225.588 Base-Backbone interact. energy: 2.717 local terms energy: -396.686320 where: bonds (distance) C4'-P energy: -101.233 bonds (distance) P-C4' energy: -99.359 flat angles C4'-P-C4' energy: -109.243 flat angles P-C4'-P energy: -54.238 tors. eta vs tors. theta energy: -32.614 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: 1, replica: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2179.292105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.292105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.292105 (E_RNA) where: Base-Base interactions energy: -1499.628 where: short stacking energy: -633.029 Base-Backbone interact. energy: -2.565 local terms energy: -677.099008 where: bonds (distance) C4'-P energy: -121.848 bonds (distance) P-C4' energy: -127.748 flat angles C4'-P-C4' energy: -140.416 flat angles P-C4'-P energy: -99.908 tors. eta vs tors. theta energy: -187.180 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: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2144.122427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.122427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.122427 (E_RNA) where: Base-Base interactions energy: -1504.407 where: short stacking energy: -584.157 Base-Backbone interact. energy: -2.380 local terms energy: -637.335736 where: bonds (distance) C4'-P energy: -124.351 bonds (distance) P-C4' energy: -125.298 flat angles C4'-P-C4' energy: -136.001 flat angles P-C4'-P energy: -91.947 tors. eta vs tors. theta energy: -159.739 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: 3, replica: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2106.235298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.235298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.235298 (E_RNA) where: Base-Base interactions energy: -1431.299 where: short stacking energy: -651.968 Base-Backbone interact. energy: -2.615 local terms energy: -672.321614 where: bonds (distance) C4'-P energy: -108.484 bonds (distance) P-C4' energy: -128.069 flat angles C4'-P-C4' energy: -140.549 flat angles P-C4'-P energy: -87.962 tors. eta vs tors. theta energy: -207.258 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: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1935.377922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.377922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.377922 (E_RNA) where: Base-Base interactions energy: -1329.554 where: short stacking energy: -563.163 Base-Backbone interact. energy: 0.210 local terms energy: -606.033318 where: bonds (distance) C4'-P energy: -126.295 bonds (distance) P-C4' energy: -96.713 flat angles C4'-P-C4' energy: -117.417 flat angles P-C4'-P energy: -87.753 tors. eta vs tors. theta energy: -177.855 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: 5, replica: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1803.428206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.428206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.428206 (E_RNA) where: Base-Base interactions energy: -1223.053 where: short stacking energy: -518.977 Base-Backbone interact. energy: -0.655 local terms energy: -579.721087 where: bonds (distance) C4'-P energy: -107.245 bonds (distance) P-C4' energy: -124.577 flat angles C4'-P-C4' energy: -126.653 flat angles P-C4'-P energy: -73.671 tors. eta vs tors. theta energy: -147.574 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: 8 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1638.741127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.741127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.741127 (E_RNA) where: Base-Base interactions energy: -1071.691 where: short stacking energy: -478.111 Base-Backbone interact. energy: 1.053 local terms energy: -568.103327 where: bonds (distance) C4'-P energy: -107.783 bonds (distance) P-C4' energy: -123.553 flat angles C4'-P-C4' energy: -126.663 flat angles P-C4'-P energy: -75.611 tors. eta vs tors. theta energy: -134.494 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: 7, replica: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1344.109716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.109716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.109716 (E_RNA) where: Base-Base interactions energy: -862.795 where: short stacking energy: -390.552 Base-Backbone interact. energy: -1.330 local terms energy: -479.984400 where: bonds (distance) C4'-P energy: -103.471 bonds (distance) P-C4' energy: -102.785 flat angles C4'-P-C4' energy: -119.210 flat angles P-C4'-P energy: -72.153 tors. eta vs tors. theta energy: -82.366 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: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1021.454193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.454193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.454193 (E_RNA) where: Base-Base interactions energy: -611.031 where: short stacking energy: -306.182 Base-Backbone interact. energy: -0.517 local terms energy: -409.907071 where: bonds (distance) C4'-P energy: -98.895 bonds (distance) P-C4' energy: -92.998 flat angles C4'-P-C4' energy: -102.573 flat angles P-C4'-P energy: -66.919 tors. eta vs tors. theta energy: -48.522 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: 9, replica: 3 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -892.785840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.785840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.785840 (E_RNA) where: Base-Base interactions energy: -518.586 where: short stacking energy: -256.052 Base-Backbone interact. energy: 0.304 local terms energy: -374.503465 where: bonds (distance) C4'-P energy: -86.796 bonds (distance) P-C4' energy: -117.547 flat angles C4'-P-C4' energy: -85.434 flat angles P-C4'-P energy: -62.838 tors. eta vs tors. theta energy: -21.888 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: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -817.112536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.112536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.112536 (E_RNA) where: Base-Base interactions energy: -458.899 where: short stacking energy: -233.188 Base-Backbone interact. energy: 0.016 local terms energy: -358.229977 where: bonds (distance) C4'-P energy: -92.956 bonds (distance) P-C4' energy: -104.569 flat angles C4'-P-C4' energy: -83.383 flat angles P-C4'-P energy: -59.751 tors. eta vs tors. theta energy: -17.571 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: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2203.121688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.121688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.121688 (E_RNA) where: Base-Base interactions energy: -1515.031 where: short stacking energy: -653.400 Base-Backbone interact. energy: 2.826 local terms energy: -690.916656 where: bonds (distance) C4'-P energy: -130.416 bonds (distance) P-C4' energy: -127.693 flat angles C4'-P-C4' energy: -146.229 flat angles P-C4'-P energy: -92.254 tors. eta vs tors. theta energy: -194.325 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: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2134.968516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.968516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.968516 (E_RNA) where: Base-Base interactions energy: -1510.978 where: short stacking energy: -600.452 Base-Backbone interact. energy: -3.022 local terms energy: -620.968704 where: bonds (distance) C4'-P energy: -118.774 bonds (distance) P-C4' energy: -119.801 flat angles C4'-P-C4' energy: -134.246 flat angles P-C4'-P energy: -90.609 tors. eta vs tors. theta energy: -157.538 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: 3, replica: 7 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2082.433483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.433483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.433483 (E_RNA) where: Base-Base interactions energy: -1435.014 where: short stacking energy: -638.435 Base-Backbone interact. energy: -2.075 local terms energy: -645.344196 where: bonds (distance) C4'-P energy: -117.502 bonds (distance) P-C4' energy: -115.092 flat angles C4'-P-C4' energy: -131.349 flat angles P-C4'-P energy: -89.453 tors. eta vs tors. theta energy: -191.948 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: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1870.584576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.584576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.584576 (E_RNA) where: Base-Base interactions energy: -1264.773 where: short stacking energy: -550.437 Base-Backbone interact. energy: -2.985 local terms energy: -602.826585 where: bonds (distance) C4'-P energy: -116.134 bonds (distance) P-C4' energy: -112.113 flat angles C4'-P-C4' energy: -123.697 flat angles P-C4'-P energy: -86.094 tors. eta vs tors. theta energy: -164.788 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: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1815.986105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.986105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.986105 (E_RNA) where: Base-Base interactions energy: -1238.198 where: short stacking energy: -527.493 Base-Backbone interact. energy: 0.650 local terms energy: -578.438640 where: bonds (distance) C4'-P energy: -105.404 bonds (distance) P-C4' energy: -93.774 flat angles C4'-P-C4' energy: -135.738 flat angles P-C4'-P energy: -90.365 tors. eta vs tors. theta energy: -153.157 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: 8 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1654.926992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.926992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.926992 (E_RNA) where: Base-Base interactions energy: -1116.077 where: short stacking energy: -484.868 Base-Backbone interact. energy: 1.836 local terms energy: -540.686139 where: bonds (distance) C4'-P energy: -94.752 bonds (distance) P-C4' energy: -95.866 flat angles C4'-P-C4' energy: -126.173 flat angles P-C4'-P energy: -78.065 tors. eta vs tors. theta energy: -145.830 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: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1309.864087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.864087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.864087 (E_RNA) where: Base-Base interactions energy: -823.134 where: short stacking energy: -355.729 Base-Backbone interact. energy: -3.399 local terms energy: -483.330741 where: bonds (distance) C4'-P energy: -96.745 bonds (distance) P-C4' energy: -113.437 flat angles C4'-P-C4' energy: -113.281 flat angles P-C4'-P energy: -80.519 tors. eta vs tors. theta energy: -79.349 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: 8, replica: 2 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -988.334601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.334601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.334601 (E_RNA) where: Base-Base interactions energy: -596.582 where: short stacking energy: -288.422 Base-Backbone interact. energy: 5.215 local terms energy: -396.967759 where: bonds (distance) C4'-P energy: -102.807 bonds (distance) P-C4' energy: -108.828 flat angles C4'-P-C4' energy: -92.529 flat angles P-C4'-P energy: -47.554 tors. eta vs tors. theta energy: -45.250 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: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -833.995095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.995095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.995095 (E_RNA) where: Base-Base interactions energy: -439.429 where: short stacking energy: -213.264 Base-Backbone interact. energy: -1.109 local terms energy: -393.457294 where: bonds (distance) C4'-P energy: -112.328 bonds (distance) P-C4' energy: -102.327 flat angles C4'-P-C4' energy: -110.206 flat angles P-C4'-P energy: -53.636 tors. eta vs tors. theta energy: -14.960 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: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -800.917086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.917086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.917086 (E_RNA) where: Base-Base interactions energy: -424.590 where: short stacking energy: -236.081 Base-Backbone interact. energy: 0.161 local terms energy: -376.487848 where: bonds (distance) C4'-P energy: -98.833 bonds (distance) P-C4' energy: -98.329 flat angles C4'-P-C4' energy: -95.031 flat angles P-C4'-P energy: -59.936 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: 1, replica: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2238.610691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.610691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.610691 (E_RNA) where: Base-Base interactions energy: -1563.179 where: short stacking energy: -651.944 Base-Backbone interact. energy: 2.306 local terms energy: -677.737954 where: bonds (distance) C4'-P energy: -111.690 bonds (distance) P-C4' energy: -123.908 flat angles C4'-P-C4' energy: -146.148 flat angles P-C4'-P energy: -97.312 tors. eta vs tors. theta energy: -198.680 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: 2, replica: 1 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2159.200433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.200433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.200433 (E_RNA) where: Base-Base interactions energy: -1534.587 where: short stacking energy: -609.754 Base-Backbone interact. energy: -4.754 local terms energy: -619.859086 where: bonds (distance) C4'-P energy: -105.838 bonds (distance) P-C4' energy: -124.039 flat angles C4'-P-C4' energy: -138.104 flat angles P-C4'-P energy: -82.435 tors. eta vs tors. theta energy: -169.443 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: 3, replica: 7 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2099.815108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.815108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.815108 (E_RNA) where: Base-Base interactions energy: -1431.767 where: short stacking energy: -628.708 Base-Backbone interact. energy: -2.923 local terms energy: -665.124830 where: bonds (distance) C4'-P energy: -113.847 bonds (distance) P-C4' energy: -115.144 flat angles C4'-P-C4' energy: -147.048 flat angles P-C4'-P energy: -91.996 tors. eta vs tors. theta energy: -197.090 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: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1889.670408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.670408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.670408 (E_RNA) where: Base-Base interactions energy: -1263.861 where: short stacking energy: -546.917 Base-Backbone interact. energy: -0.547 local terms energy: -625.262252 where: bonds (distance) C4'-P energy: -118.202 bonds (distance) P-C4' energy: -126.155 flat angles C4'-P-C4' energy: -128.540 flat angles P-C4'-P energy: -91.003 tors. eta vs tors. theta energy: -161.363 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: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1763.709472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.709472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.709472 (E_RNA) where: Base-Base interactions energy: -1202.527 where: short stacking energy: -505.125 Base-Backbone interact. energy: -3.843 local terms energy: -557.339416 where: bonds (distance) C4'-P energy: -94.948 bonds (distance) P-C4' energy: -113.422 flat angles C4'-P-C4' energy: -136.485 flat angles P-C4'-P energy: -77.636 tors. eta vs tors. theta energy: -134.848 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: 6, replica: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1703.494596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.494596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.494596 (E_RNA) where: Base-Base interactions energy: -1114.147 where: short stacking energy: -496.965 Base-Backbone interact. energy: -3.296 local terms energy: -586.051246 where: bonds (distance) C4'-P energy: -102.482 bonds (distance) P-C4' energy: -113.072 flat angles C4'-P-C4' energy: -128.906 flat angles P-C4'-P energy: -80.276 tors. eta vs tors. theta energy: -161.315 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: 7, replica: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1350.232880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.232880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.232880 (E_RNA) where: Base-Base interactions energy: -870.176 where: short stacking energy: -381.347 Base-Backbone interact. energy: 0.236 local terms energy: -480.293188 where: bonds (distance) C4'-P energy: -108.045 bonds (distance) P-C4' energy: -115.825 flat angles C4'-P-C4' energy: -113.847 flat angles P-C4'-P energy: -59.199 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: 8, replica: 2 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -999.878369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.878369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.878369 (E_RNA) where: Base-Base interactions energy: -598.797 where: short stacking energy: -288.760 Base-Backbone interact. energy: -0.210 local terms energy: -400.870792 where: bonds (distance) C4'-P energy: -111.896 bonds (distance) P-C4' energy: -114.715 flat angles C4'-P-C4' energy: -88.111 flat angles P-C4'-P energy: -57.263 tors. eta vs tors. theta energy: -28.886 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: 9, replica: 3 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -872.779255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.779255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.779255 (E_RNA) where: Base-Base interactions energy: -492.070 where: short stacking energy: -268.755 Base-Backbone interact. energy: -1.663 local terms energy: -379.046123 where: bonds (distance) C4'-P energy: -106.929 bonds (distance) P-C4' energy: -107.782 flat angles C4'-P-C4' energy: -82.592 flat angles P-C4'-P energy: -47.224 tors. eta vs tors. theta energy: -34.519 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: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -789.062592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.062592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.062592 (E_RNA) where: Base-Base interactions energy: -397.403 where: short stacking energy: -207.773 Base-Backbone interact. energy: 7.301 local terms energy: -398.961083 where: bonds (distance) C4'-P energy: -112.489 bonds (distance) P-C4' energy: -105.053 flat angles C4'-P-C4' energy: -86.091 flat angles P-C4'-P energy: -71.115 tors. eta vs tors. theta energy: -24.212 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: 1, replica: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2239.894226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.894226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.894226 (E_RNA) where: Base-Base interactions energy: -1554.220 where: short stacking energy: -672.583 Base-Backbone interact. energy: -0.839 local terms energy: -684.835524 where: bonds (distance) C4'-P energy: -125.371 bonds (distance) P-C4' energy: -131.189 flat angles C4'-P-C4' energy: -146.471 flat angles P-C4'-P energy: -93.270 tors. eta vs tors. theta energy: -188.535 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: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2131.109346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.109346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.109346 (E_RNA) where: Base-Base interactions energy: -1513.652 where: short stacking energy: -603.547 Base-Backbone interact. energy: -0.886 local terms energy: -616.571186 where: bonds (distance) C4'-P energy: -119.644 bonds (distance) P-C4' energy: -116.376 flat angles C4'-P-C4' energy: -139.220 flat angles P-C4'-P energy: -76.887 tors. eta vs tors. theta energy: -164.444 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: 3, replica: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2085.859633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.859633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.859633 (E_RNA) where: Base-Base interactions energy: -1440.188 where: short stacking energy: -612.846 Base-Backbone interact. energy: -1.706 local terms energy: -643.965903 where: bonds (distance) C4'-P energy: -110.390 bonds (distance) P-C4' energy: -125.204 flat angles C4'-P-C4' energy: -130.396 flat angles P-C4'-P energy: -86.875 tors. eta vs tors. theta energy: -191.101 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: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1891.499449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.499449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.499449 (E_RNA) where: Base-Base interactions energy: -1285.608 where: short stacking energy: -561.712 Base-Backbone interact. energy: 2.599 local terms energy: -608.489933 where: bonds (distance) C4'-P energy: -110.119 bonds (distance) P-C4' energy: -104.054 flat angles C4'-P-C4' energy: -142.080 flat angles P-C4'-P energy: -87.601 tors. eta vs tors. theta energy: -164.636 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: 5, replica: 6 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1790.393557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.393557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.393557 (E_RNA) where: Base-Base interactions energy: -1230.874 where: short stacking energy: -509.065 Base-Backbone interact. energy: -1.233 local terms energy: -558.286835 where: bonds (distance) C4'-P energy: -111.591 bonds (distance) P-C4' energy: -110.784 flat angles C4'-P-C4' energy: -116.134 flat angles P-C4'-P energy: -86.385 tors. eta vs tors. theta energy: -133.393 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: 6, replica: 8 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1717.903698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.903698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.903698 (E_RNA) where: Base-Base interactions energy: -1166.027 where: short stacking energy: -486.341 Base-Backbone interact. energy: -0.665 local terms energy: -551.211362 where: bonds (distance) C4'-P energy: -96.952 bonds (distance) P-C4' energy: -123.648 flat angles C4'-P-C4' energy: -106.085 flat angles P-C4'-P energy: -81.012 tors. eta vs tors. theta energy: -143.514 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: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1357.632582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.632582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.632582 (E_RNA) where: Base-Base interactions energy: -847.120 where: short stacking energy: -364.657 Base-Backbone interact. energy: -3.382 local terms energy: -507.129992 where: bonds (distance) C4'-P energy: -100.250 bonds (distance) P-C4' energy: -124.588 flat angles C4'-P-C4' energy: -104.445 flat angles P-C4'-P energy: -78.814 tors. eta vs tors. theta energy: -99.033 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: 8, replica: 2 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1036.451825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.451825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.451825 (E_RNA) where: Base-Base interactions energy: -584.903 where: short stacking energy: -301.544 Base-Backbone interact. energy: -0.410 local terms energy: -451.138217 where: bonds (distance) C4'-P energy: -120.690 bonds (distance) P-C4' energy: -114.519 flat angles C4'-P-C4' energy: -99.930 flat angles P-C4'-P energy: -66.740 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: 9, replica: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -838.133126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.133126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.133126 (E_RNA) where: Base-Base interactions energy: -467.409 where: short stacking energy: -243.197 Base-Backbone interact. energy: 0.441 local terms energy: -371.165085 where: bonds (distance) C4'-P energy: -97.972 bonds (distance) P-C4' energy: -104.153 flat angles C4'-P-C4' energy: -103.493 flat angles P-C4'-P energy: -55.051 tors. eta vs tors. theta energy: -10.497 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: 10, replica: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -827.486898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.486898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.486898 (E_RNA) where: Base-Base interactions energy: -474.379 where: short stacking energy: -242.111 Base-Backbone interact. energy: 0.036 local terms energy: -353.144840 where: bonds (distance) C4'-P energy: -87.417 bonds (distance) P-C4' energy: -104.019 flat angles C4'-P-C4' energy: -77.325 flat angles P-C4'-P energy: -70.059 tors. eta vs tors. theta energy: -14.325 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: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2236.204984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.204984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.204984 (E_RNA) where: Base-Base interactions energy: -1525.076 where: short stacking energy: -653.319 Base-Backbone interact. energy: -4.091 local terms energy: -707.037906 where: bonds (distance) C4'-P energy: -128.899 bonds (distance) P-C4' energy: -138.076 flat angles C4'-P-C4' energy: -146.544 flat angles P-C4'-P energy: -99.683 tors. eta vs tors. theta energy: -193.837 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: 2, replica: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2137.977722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.977722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.977722 (E_RNA) where: Base-Base interactions energy: -1474.440 where: short stacking energy: -647.535 Base-Backbone interact. energy: -1.746 local terms energy: -661.792147 where: bonds (distance) C4'-P energy: -116.932 bonds (distance) P-C4' energy: -134.716 flat angles C4'-P-C4' energy: -129.043 flat angles P-C4'-P energy: -91.450 tors. eta vs tors. theta energy: -189.651 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: 3, replica: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2075.933020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.933020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.933020 (E_RNA) where: Base-Base interactions energy: -1446.794 where: short stacking energy: -571.327 Base-Backbone interact. energy: -3.179 local terms energy: -625.959917 where: bonds (distance) C4'-P energy: -129.869 bonds (distance) P-C4' energy: -122.195 flat angles C4'-P-C4' energy: -132.729 flat angles P-C4'-P energy: -88.394 tors. eta vs tors. theta energy: -152.773 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: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1879.454482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.454482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.454482 (E_RNA) where: Base-Base interactions energy: -1262.637 where: short stacking energy: -522.456 Base-Backbone interact. energy: -5.167 local terms energy: -611.649916 where: bonds (distance) C4'-P energy: -114.669 bonds (distance) P-C4' energy: -129.955 flat angles C4'-P-C4' energy: -124.806 flat angles P-C4'-P energy: -84.540 tors. eta vs tors. theta energy: -157.681 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: 6 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1768.334930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.334930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.334930 (E_RNA) where: Base-Base interactions energy: -1207.524 where: short stacking energy: -537.619 Base-Backbone interact. energy: -0.755 local terms energy: -560.056059 where: bonds (distance) C4'-P energy: -97.881 bonds (distance) P-C4' energy: -117.390 flat angles C4'-P-C4' energy: -112.215 flat angles P-C4'-P energy: -77.561 tors. eta vs tors. theta energy: -155.009 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: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1710.985064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.985064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.985064 (E_RNA) where: Base-Base interactions energy: -1148.389 where: short stacking energy: -501.309 Base-Backbone interact. energy: -2.264 local terms energy: -560.331806 where: bonds (distance) C4'-P energy: -99.979 bonds (distance) P-C4' energy: -113.345 flat angles C4'-P-C4' energy: -121.119 flat angles P-C4'-P energy: -75.644 tors. eta vs tors. theta energy: -150.244 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: 9 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1355.512645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.512645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.512645 (E_RNA) where: Base-Base interactions energy: -863.355 where: short stacking energy: -385.190 Base-Backbone interact. energy: -2.839 local terms energy: -489.318620 where: bonds (distance) C4'-P energy: -113.412 bonds (distance) P-C4' energy: -119.090 flat angles C4'-P-C4' energy: -107.585 flat angles P-C4'-P energy: -73.261 tors. eta vs tors. theta energy: -75.970 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: 8, replica: 2 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1030.394214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.394214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.394214 (E_RNA) where: Base-Base interactions energy: -615.834 where: short stacking energy: -305.988 Base-Backbone interact. energy: -2.736 local terms energy: -411.824904 where: bonds (distance) C4'-P energy: -107.123 bonds (distance) P-C4' energy: -110.238 flat angles C4'-P-C4' energy: -89.927 flat angles P-C4'-P energy: -52.908 tors. eta vs tors. theta energy: -51.629 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: 5 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -833.783115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.783115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.783115 (E_RNA) where: Base-Base interactions energy: -455.199 where: short stacking energy: -228.724 Base-Backbone interact. energy: -0.491 local terms energy: -378.093039 where: bonds (distance) C4'-P energy: -73.198 bonds (distance) P-C4' energy: -107.994 flat angles C4'-P-C4' energy: -100.309 flat angles P-C4'-P energy: -72.798 tors. eta vs tors. theta energy: -23.795 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: 10, replica: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -829.130309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.130309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.130309 (E_RNA) where: Base-Base interactions energy: -459.259 where: short stacking energy: -241.649 Base-Backbone interact. energy: -1.931 local terms energy: -367.939874 where: bonds (distance) C4'-P energy: -86.309 bonds (distance) P-C4' energy: -112.082 flat angles C4'-P-C4' energy: -78.637 flat angles P-C4'-P energy: -65.375 tors. eta vs tors. theta energy: -25.536 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: 1, replica: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2211.224651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.224651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.224651 (E_RNA) where: Base-Base interactions energy: -1529.014 where: short stacking energy: -644.359 Base-Backbone interact. energy: -3.615 local terms energy: -678.595453 where: bonds (distance) C4'-P energy: -128.726 bonds (distance) P-C4' energy: -126.305 flat angles C4'-P-C4' energy: -140.986 flat angles P-C4'-P energy: -85.222 tors. eta vs tors. theta energy: -197.357 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: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2150.661371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.661371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.661371 (E_RNA) where: Base-Base interactions energy: -1459.057 where: short stacking energy: -644.187 Base-Backbone interact. energy: -2.056 local terms energy: -689.548092 where: bonds (distance) C4'-P energy: -119.996 bonds (distance) P-C4' energy: -132.229 flat angles C4'-P-C4' energy: -141.690 flat angles P-C4'-P energy: -93.689 tors. eta vs tors. theta energy: -201.944 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: 300 Temperature: 1.000000 Total energy: -2088.034353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.034353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.034353 (E_RNA) where: Base-Base interactions energy: -1468.451 where: short stacking energy: -581.506 Base-Backbone interact. energy: 3.651 local terms energy: -623.234184 where: bonds (distance) C4'-P energy: -116.382 bonds (distance) P-C4' energy: -125.284 flat angles C4'-P-C4' energy: -128.634 flat angles P-C4'-P energy: -92.924 tors. eta vs tors. theta energy: -160.010 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: 4 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1871.029760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.029760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.029760 (E_RNA) where: Base-Base interactions energy: -1264.509 where: short stacking energy: -539.881 Base-Backbone interact. energy: 2.371 local terms energy: -608.892003 where: bonds (distance) C4'-P energy: -130.297 bonds (distance) P-C4' energy: -116.437 flat angles C4'-P-C4' energy: -117.972 flat angles P-C4'-P energy: -76.883 tors. eta vs tors. theta energy: -167.303 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: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1779.011415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.011415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.011415 (E_RNA) where: Base-Base interactions energy: -1201.548 where: short stacking energy: -523.167 Base-Backbone interact. energy: -1.283 local terms energy: -576.179685 where: bonds (distance) C4'-P energy: -103.978 bonds (distance) P-C4' energy: -121.871 flat angles C4'-P-C4' energy: -123.659 flat angles P-C4'-P energy: -82.538 tors. eta vs tors. theta energy: -144.133 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: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1685.969451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.969451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.969451 (E_RNA) where: Base-Base interactions energy: -1123.981 where: short stacking energy: -480.034 Base-Backbone interact. energy: -0.592 local terms energy: -561.396415 where: bonds (distance) C4'-P energy: -104.116 bonds (distance) P-C4' energy: -114.404 flat angles C4'-P-C4' energy: -138.839 flat angles P-C4'-P energy: -67.233 tors. eta vs tors. theta energy: -136.806 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: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1328.071747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.071747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.071747 (E_RNA) where: Base-Base interactions energy: -870.631 where: short stacking energy: -376.803 Base-Backbone interact. energy: -2.285 local terms energy: -455.155311 where: bonds (distance) C4'-P energy: -105.713 bonds (distance) P-C4' energy: -100.632 flat angles C4'-P-C4' energy: -98.769 flat angles P-C4'-P energy: -68.549 tors. eta vs tors. theta energy: -81.492 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: 8, replica: 2 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1050.208233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.208233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.208233 (E_RNA) where: Base-Base interactions energy: -593.558 where: short stacking energy: -299.830 Base-Backbone interact. energy: 0.413 local terms energy: -457.062524 where: bonds (distance) C4'-P energy: -101.881 bonds (distance) P-C4' energy: -112.124 flat angles C4'-P-C4' energy: -95.784 flat angles P-C4'-P energy: -77.671 tors. eta vs tors. theta energy: -69.602 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: 3 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -885.012211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.012211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.012211 (E_RNA) where: Base-Base interactions energy: -480.231 where: short stacking energy: -243.505 Base-Backbone interact. energy: 2.380 local terms energy: -407.161339 where: bonds (distance) C4'-P energy: -106.303 bonds (distance) P-C4' energy: -112.696 flat angles C4'-P-C4' energy: -99.864 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -25.234 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: 10, replica: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -810.350626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.350626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.350626 (E_RNA) where: Base-Base interactions energy: -461.784 where: short stacking energy: -254.808 Base-Backbone interact. energy: -1.086 local terms energy: -347.480389 where: bonds (distance) C4'-P energy: -87.468 bonds (distance) P-C4' energy: -113.189 flat angles C4'-P-C4' energy: -56.647 flat angles P-C4'-P energy: -65.599 tors. eta vs tors. theta energy: -24.578 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: 1, replica: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2253.462967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.462967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.462967 (E_RNA) where: Base-Base interactions energy: -1578.022 where: short stacking energy: -662.680 Base-Backbone interact. energy: -3.848 local terms energy: -671.592342 where: bonds (distance) C4'-P energy: -120.111 bonds (distance) P-C4' energy: -117.556 flat angles C4'-P-C4' energy: -148.202 flat angles P-C4'-P energy: -90.195 tors. eta vs tors. theta energy: -195.529 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: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2119.828001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.828001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.828001 (E_RNA) where: Base-Base interactions energy: -1432.079 where: short stacking energy: -631.133 Base-Backbone interact. energy: -1.090 local terms energy: -686.658880 where: bonds (distance) C4'-P energy: -113.845 bonds (distance) P-C4' energy: -126.727 flat angles C4'-P-C4' energy: -146.257 flat angles P-C4'-P energy: -111.135 tors. eta vs tors. theta energy: -188.695 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: 301 Temperature: 1.000000 Total energy: -2093.148292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.148292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.148292 (E_RNA) where: Base-Base interactions energy: -1470.939 where: short stacking energy: -586.547 Base-Backbone interact. energy: -2.519 local terms energy: -619.690256 where: bonds (distance) C4'-P energy: -122.388 bonds (distance) P-C4' energy: -115.390 flat angles C4'-P-C4' energy: -130.440 flat angles P-C4'-P energy: -88.454 tors. eta vs tors. theta energy: -163.019 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: 4, replica: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1913.130770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.130770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.130770 (E_RNA) where: Base-Base interactions energy: -1296.274 where: short stacking energy: -551.798 Base-Backbone interact. energy: -3.361 local terms energy: -613.496406 where: bonds (distance) C4'-P energy: -112.993 bonds (distance) P-C4' energy: -122.043 flat angles C4'-P-C4' energy: -142.986 flat angles P-C4'-P energy: -83.145 tors. eta vs tors. theta energy: -152.330 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: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1817.553209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.553209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.553209 (E_RNA) where: Base-Base interactions energy: -1213.698 where: short stacking energy: -530.714 Base-Backbone interact. energy: -0.906 local terms energy: -602.949226 where: bonds (distance) C4'-P energy: -112.618 bonds (distance) P-C4' energy: -115.968 flat angles C4'-P-C4' energy: -129.340 flat angles P-C4'-P energy: -82.174 tors. eta vs tors. theta energy: -162.849 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: 6, replica: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1643.119265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.119265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.119265 (E_RNA) where: Base-Base interactions energy: -1093.355 where: short stacking energy: -498.523 Base-Backbone interact. energy: -1.796 local terms energy: -547.969167 where: bonds (distance) C4'-P energy: -101.859 bonds (distance) P-C4' energy: -114.985 flat angles C4'-P-C4' energy: -113.664 flat angles P-C4'-P energy: -81.489 tors. eta vs tors. theta energy: -135.971 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: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1322.742633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.742633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.742633 (E_RNA) where: Base-Base interactions energy: -817.888 where: short stacking energy: -399.105 Base-Backbone interact. energy: -3.020 local terms energy: -501.834632 where: bonds (distance) C4'-P energy: -116.459 bonds (distance) P-C4' energy: -110.083 flat angles C4'-P-C4' energy: -122.254 flat angles P-C4'-P energy: -62.944 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: 8, replica: 2 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -980.052543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.052543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.052543 (E_RNA) where: Base-Base interactions energy: -566.812 where: short stacking energy: -298.827 Base-Backbone interact. energy: 2.587 local terms energy: -415.827145 where: bonds (distance) C4'-P energy: -106.331 bonds (distance) P-C4' energy: -100.433 flat angles C4'-P-C4' energy: -93.066 flat angles P-C4'-P energy: -65.882 tors. eta vs tors. theta energy: -50.115 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: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -895.015158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.015158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.015158 (E_RNA) where: Base-Base interactions energy: -522.134 where: short stacking energy: -266.135 Base-Backbone interact. energy: 4.343 local terms energy: -377.224127 where: bonds (distance) C4'-P energy: -104.566 bonds (distance) P-C4' energy: -102.941 flat angles C4'-P-C4' energy: -96.369 flat angles P-C4'-P energy: -42.388 tors. eta vs tors. theta energy: -30.960 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: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -785.534228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.534228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.534228 (E_RNA) where: Base-Base interactions energy: -453.777 where: short stacking energy: -243.975 Base-Backbone interact. energy: -1.388 local terms energy: -330.368902 where: bonds (distance) C4'-P energy: -89.018 bonds (distance) P-C4' energy: -92.749 flat angles C4'-P-C4' energy: -110.339 flat angles P-C4'-P energy: -26.420 tors. eta vs tors. theta energy: -11.843 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: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2232.066105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.066105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.066105 (E_RNA) where: Base-Base interactions energy: -1551.149 where: short stacking energy: -669.760 Base-Backbone interact. energy: -2.651 local terms energy: -678.265992 where: bonds (distance) C4'-P energy: -124.029 bonds (distance) P-C4' energy: -129.021 flat angles C4'-P-C4' energy: -141.717 flat angles P-C4'-P energy: -96.448 tors. eta vs tors. theta energy: -187.051 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: 2, replica: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2129.447714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.447714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.447714 (E_RNA) where: Base-Base interactions energy: -1450.972 where: short stacking energy: -625.613 Base-Backbone interact. energy: -2.518 local terms energy: -675.957010 where: bonds (distance) C4'-P energy: -127.658 bonds (distance) P-C4' energy: -132.126 flat angles C4'-P-C4' energy: -125.780 flat angles P-C4'-P energy: -96.852 tors. eta vs tors. theta energy: -193.542 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: 3, replica: 1 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2072.593964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.593964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.593964 (E_RNA) where: Base-Base interactions energy: -1493.714 where: short stacking energy: -587.346 Base-Backbone interact. energy: -0.836 local terms energy: -578.044460 where: bonds (distance) C4'-P energy: -112.623 bonds (distance) P-C4' energy: -101.325 flat angles C4'-P-C4' energy: -131.211 flat angles P-C4'-P energy: -69.985 tors. eta vs tors. theta energy: -162.901 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: 4, replica: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1907.059901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.059901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.059901 (E_RNA) where: Base-Base interactions energy: -1302.403 where: short stacking energy: -535.962 Base-Backbone interact. energy: -3.132 local terms energy: -601.525369 where: bonds (distance) C4'-P energy: -100.875 bonds (distance) P-C4' energy: -118.151 flat angles C4'-P-C4' energy: -142.708 flat angles P-C4'-P energy: -93.500 tors. eta vs tors. theta energy: -146.291 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: 5, replica: 6 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1786.899995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.899995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.899995 (E_RNA) where: Base-Base interactions energy: -1214.924 where: short stacking energy: -526.168 Base-Backbone interact. energy: -4.044 local terms energy: -567.932239 where: bonds (distance) C4'-P energy: -108.086 bonds (distance) P-C4' energy: -107.900 flat angles C4'-P-C4' energy: -119.877 flat angles P-C4'-P energy: -83.697 tors. eta vs tors. theta energy: -148.372 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: 6, replica: 8 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1645.672307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.672307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.672307 (E_RNA) where: Base-Base interactions energy: -1081.960 where: short stacking energy: -499.023 Base-Backbone interact. energy: -0.956 local terms energy: -562.756363 where: bonds (distance) C4'-P energy: -118.805 bonds (distance) P-C4' energy: -121.224 flat angles C4'-P-C4' energy: -119.357 flat angles P-C4'-P energy: -71.240 tors. eta vs tors. theta energy: -132.130 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: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1343.264087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.264087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.264087 (E_RNA) where: Base-Base interactions energy: -851.383 where: short stacking energy: -370.557 Base-Backbone interact. energy: 1.391 local terms energy: -493.272151 where: bonds (distance) C4'-P energy: -114.526 bonds (distance) P-C4' energy: -107.977 flat angles C4'-P-C4' energy: -108.675 flat angles P-C4'-P energy: -77.107 tors. eta vs tors. theta energy: -84.987 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: 8, replica: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1003.107931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.107931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.107931 (E_RNA) where: Base-Base interactions energy: -632.341 where: short stacking energy: -324.761 Base-Backbone interact. energy: -1.740 local terms energy: -369.027456 where: bonds (distance) C4'-P energy: -93.695 bonds (distance) P-C4' energy: -95.639 flat angles C4'-P-C4' energy: -86.041 flat angles P-C4'-P energy: -47.471 tors. eta vs tors. theta energy: -46.182 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: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -854.125331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.125331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.125331 (E_RNA) where: Base-Base interactions energy: -500.302 where: short stacking energy: -273.504 Base-Backbone interact. energy: 7.178 local terms energy: -361.000521 where: bonds (distance) C4'-P energy: -98.532 bonds (distance) P-C4' energy: -110.035 flat angles C4'-P-C4' energy: -77.004 flat angles P-C4'-P energy: -49.655 tors. eta vs tors. theta energy: -25.774 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: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -752.430712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.430712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.430712 (E_RNA) where: Base-Base interactions energy: -392.639 where: short stacking energy: -205.533 Base-Backbone interact. energy: 1.499 local terms energy: -361.291137 where: bonds (distance) C4'-P energy: -87.539 bonds (distance) P-C4' energy: -106.205 flat angles C4'-P-C4' energy: -87.252 flat angles P-C4'-P energy: -66.054 tors. eta vs tors. theta energy: -14.242 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: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2235.153803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.153803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.153803 (E_RNA) where: Base-Base interactions energy: -1531.654 where: short stacking energy: -665.532 Base-Backbone interact. energy: -1.798 local terms energy: -701.702091 where: bonds (distance) C4'-P energy: -138.299 bonds (distance) P-C4' energy: -116.675 flat angles C4'-P-C4' energy: -150.226 flat angles P-C4'-P energy: -98.283 tors. eta vs tors. theta energy: -198.220 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: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2137.924827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.924827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.924827 (E_RNA) where: Base-Base interactions energy: -1453.441 where: short stacking energy: -626.790 Base-Backbone interact. energy: -1.438 local terms energy: -683.046130 where: bonds (distance) C4'-P energy: -122.131 bonds (distance) P-C4' energy: -125.779 flat angles C4'-P-C4' energy: -146.323 flat angles P-C4'-P energy: -90.985 tors. eta vs tors. theta energy: -197.829 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: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2098.906028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.906028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.906028 (E_RNA) where: Base-Base interactions energy: -1487.617 where: short stacking energy: -583.804 Base-Backbone interact. energy: -2.701 local terms energy: -608.588490 where: bonds (distance) C4'-P energy: -118.256 bonds (distance) P-C4' energy: -116.055 flat angles C4'-P-C4' energy: -127.433 flat angles P-C4'-P energy: -81.970 tors. eta vs tors. theta energy: -164.876 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: 4, replica: 4 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1885.231322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.231322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.231322 (E_RNA) where: Base-Base interactions energy: -1274.870 where: short stacking energy: -555.622 Base-Backbone interact. energy: -1.774 local terms energy: -608.586682 where: bonds (distance) C4'-P energy: -120.575 bonds (distance) P-C4' energy: -108.504 flat angles C4'-P-C4' energy: -130.384 flat angles P-C4'-P energy: -90.722 tors. eta vs tors. theta energy: -158.402 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: 6 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1874.399502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.399502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.399502 (E_RNA) where: Base-Base interactions energy: -1267.990 where: short stacking energy: -536.460 Base-Backbone interact. energy: -0.362 local terms energy: -606.047480 where: bonds (distance) C4'-P energy: -118.877 bonds (distance) P-C4' energy: -105.014 flat angles C4'-P-C4' energy: -134.170 flat angles P-C4'-P energy: -83.449 tors. eta vs tors. theta energy: -164.537 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: 6, replica: 8 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1637.978164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.978164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.978164 (E_RNA) where: Base-Base interactions energy: -1101.031 where: short stacking energy: -498.321 Base-Backbone interact. energy: 4.929 local terms energy: -541.876181 where: bonds (distance) C4'-P energy: -84.140 bonds (distance) P-C4' energy: -124.833 flat angles C4'-P-C4' energy: -126.454 flat angles P-C4'-P energy: -73.479 tors. eta vs tors. theta energy: -132.970 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: 7, replica: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1359.421017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.421017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.421017 (E_RNA) where: Base-Base interactions energy: -888.962 where: short stacking energy: -406.568 Base-Backbone interact. energy: 3.826 local terms energy: -474.285259 where: bonds (distance) C4'-P energy: -96.473 bonds (distance) P-C4' energy: -110.167 flat angles C4'-P-C4' energy: -105.244 flat angles P-C4'-P energy: -70.126 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: 8, replica: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1001.142180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.142180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.142180 (E_RNA) where: Base-Base interactions energy: -597.434 where: short stacking energy: -282.134 Base-Backbone interact. energy: -2.620 local terms energy: -401.088229 where: bonds (distance) C4'-P energy: -96.553 bonds (distance) P-C4' energy: -103.861 flat angles C4'-P-C4' energy: -88.773 flat angles P-C4'-P energy: -73.218 tors. eta vs tors. theta energy: -38.684 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: 3 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -902.021490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.021490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.021490 (E_RNA) where: Base-Base interactions energy: -512.061 where: short stacking energy: -247.732 Base-Backbone interact. energy: -1.270 local terms energy: -388.689989 where: bonds (distance) C4'-P energy: -109.042 bonds (distance) P-C4' energy: -129.183 flat angles C4'-P-C4' energy: -83.534 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -28.894 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: 10, replica: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -760.227695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.227695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.227695 (E_RNA) where: Base-Base interactions energy: -393.023 where: short stacking energy: -213.810 Base-Backbone interact. energy: 0.456 local terms energy: -367.660440 where: bonds (distance) C4'-P energy: -103.881 bonds (distance) P-C4' energy: -114.708 flat angles C4'-P-C4' energy: -81.106 flat angles P-C4'-P energy: -62.190 tors. eta vs tors. theta energy: -5.776 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: 304 Temperature: 0.900000 Total energy: -2214.439377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.439377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.439377 (E_RNA) where: Base-Base interactions energy: -1544.555 where: short stacking energy: -659.473 Base-Backbone interact. energy: 0.036 local terms energy: -669.919910 where: bonds (distance) C4'-P energy: -119.892 bonds (distance) P-C4' energy: -123.581 flat angles C4'-P-C4' energy: -131.084 flat angles P-C4'-P energy: -102.387 tors. eta vs tors. theta energy: -192.977 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: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2142.414424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.414424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.414424 (E_RNA) where: Base-Base interactions energy: -1432.193 where: short stacking energy: -625.662 Base-Backbone interact. energy: -2.804 local terms energy: -707.417496 where: bonds (distance) C4'-P energy: -135.284 bonds (distance) P-C4' energy: -127.725 flat angles C4'-P-C4' energy: -147.804 flat angles P-C4'-P energy: -96.734 tors. eta vs tors. theta energy: -199.870 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: 3, replica: 1 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2092.192004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.192004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.192004 (E_RNA) where: Base-Base interactions energy: -1465.905 where: short stacking energy: -581.799 Base-Backbone interact. energy: -5.277 local terms energy: -621.010709 where: bonds (distance) C4'-P energy: -119.070 bonds (distance) P-C4' energy: -105.000 flat angles C4'-P-C4' energy: -143.400 flat angles P-C4'-P energy: -87.014 tors. eta vs tors. theta energy: -166.526 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: 4, replica: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1905.825859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.825859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.825859 (E_RNA) where: Base-Base interactions energy: -1283.337 where: short stacking energy: -569.243 Base-Backbone interact. energy: -1.028 local terms energy: -621.460485 where: bonds (distance) C4'-P energy: -96.598 bonds (distance) P-C4' energy: -118.753 flat angles C4'-P-C4' energy: -139.047 flat angles P-C4'-P energy: -93.713 tors. eta vs tors. theta energy: -173.350 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: 6 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1777.571337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.571337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.571337 (E_RNA) where: Base-Base interactions energy: -1236.384 where: short stacking energy: -516.038 Base-Backbone interact. energy: -2.999 local terms energy: -538.188533 where: bonds (distance) C4'-P energy: -110.663 bonds (distance) P-C4' energy: -101.828 flat angles C4'-P-C4' energy: -115.636 flat angles P-C4'-P energy: -81.426 tors. eta vs tors. theta energy: -128.636 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: 6, replica: 8 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1677.334837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.334837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.334837 (E_RNA) where: Base-Base interactions energy: -1150.895 where: short stacking energy: -505.106 Base-Backbone interact. energy: 0.193 local terms energy: -526.632963 where: bonds (distance) C4'-P energy: -100.547 bonds (distance) P-C4' energy: -104.442 flat angles C4'-P-C4' energy: -115.228 flat angles P-C4'-P energy: -68.045 tors. eta vs tors. theta energy: -138.371 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: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1364.437626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.437626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.437626 (E_RNA) where: Base-Base interactions energy: -902.692 where: short stacking energy: -404.951 Base-Backbone interact. energy: 3.587 local terms energy: -465.332208 where: bonds (distance) C4'-P energy: -103.700 bonds (distance) P-C4' energy: -97.677 flat angles C4'-P-C4' energy: -107.784 flat angles P-C4'-P energy: -63.188 tors. eta vs tors. theta energy: -92.983 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: 2 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1020.035647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.035647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.035647 (E_RNA) where: Base-Base interactions energy: -580.652 where: short stacking energy: -299.845 Base-Backbone interact. energy: -2.868 local terms energy: -436.516004 where: bonds (distance) C4'-P energy: -92.132 bonds (distance) P-C4' energy: -131.265 flat angles C4'-P-C4' energy: -103.186 flat angles P-C4'-P energy: -71.226 tors. eta vs tors. theta energy: -38.707 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: 9, replica: 3 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -897.650997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.650997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.650997 (E_RNA) where: Base-Base interactions energy: -517.709 where: short stacking energy: -264.779 Base-Backbone interact. energy: -0.896 local terms energy: -379.046613 where: bonds (distance) C4'-P energy: -94.038 bonds (distance) P-C4' energy: -86.529 flat angles C4'-P-C4' energy: -106.687 flat angles P-C4'-P energy: -54.609 tors. eta vs tors. theta energy: -37.184 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: 10, replica: 5 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -750.039438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.039438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.039438 (E_RNA) where: Base-Base interactions energy: -400.432 where: short stacking energy: -207.932 Base-Backbone interact. energy: 2.060 local terms energy: -351.666897 where: bonds (distance) C4'-P energy: -96.832 bonds (distance) P-C4' energy: -108.700 flat angles C4'-P-C4' energy: -85.428 flat angles P-C4'-P energy: -60.690 tors. eta vs tors. theta energy: -0.018 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: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2194.487435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.487435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.487435 (E_RNA) where: Base-Base interactions energy: -1493.151 where: short stacking energy: -646.765 Base-Backbone interact. energy: -0.399 local terms energy: -700.937590 where: bonds (distance) C4'-P energy: -130.831 bonds (distance) P-C4' energy: -139.870 flat angles C4'-P-C4' energy: -143.316 flat angles P-C4'-P energy: -94.795 tors. eta vs tors. theta energy: -192.126 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: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2102.666202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.666202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.666202 (E_RNA) where: Base-Base interactions energy: -1460.728 where: short stacking energy: -624.162 Base-Backbone interact. energy: 1.653 local terms energy: -643.590883 where: bonds (distance) C4'-P energy: -93.613 bonds (distance) P-C4' energy: -112.978 flat angles C4'-P-C4' energy: -148.157 flat angles P-C4'-P energy: -103.642 tors. eta vs tors. theta energy: -185.202 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: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2063.820112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.820112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.820112 (E_RNA) where: Base-Base interactions energy: -1446.180 where: short stacking energy: -589.888 Base-Backbone interact. energy: -2.658 local terms energy: -614.982799 where: bonds (distance) C4'-P energy: -108.327 bonds (distance) P-C4' energy: -118.891 flat angles C4'-P-C4' energy: -140.084 flat angles P-C4'-P energy: -78.439 tors. eta vs tors. theta energy: -169.242 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: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1895.557011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.557011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.557011 (E_RNA) where: Base-Base interactions energy: -1277.576 where: short stacking energy: -534.065 Base-Backbone interact. energy: -1.447 local terms energy: -616.534607 where: bonds (distance) C4'-P energy: -112.103 bonds (distance) P-C4' energy: -127.181 flat angles C4'-P-C4' energy: -134.099 flat angles P-C4'-P energy: -85.004 tors. eta vs tors. theta energy: -158.147 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: 6 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1805.156809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.156809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.156809 (E_RNA) where: Base-Base interactions energy: -1230.880 where: short stacking energy: -504.503 Base-Backbone interact. energy: 3.010 local terms energy: -577.286491 where: bonds (distance) C4'-P energy: -96.556 bonds (distance) P-C4' energy: -116.578 flat angles C4'-P-C4' energy: -125.435 flat angles P-C4'-P energy: -95.241 tors. eta vs tors. theta energy: -143.477 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: 6, replica: 8 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1644.998284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.998284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.998284 (E_RNA) where: Base-Base interactions energy: -1087.092 where: short stacking energy: -456.696 Base-Backbone interact. energy: -0.147 local terms energy: -557.758877 where: bonds (distance) C4'-P energy: -97.591 bonds (distance) P-C4' energy: -116.629 flat angles C4'-P-C4' energy: -132.433 flat angles P-C4'-P energy: -83.784 tors. eta vs tors. theta energy: -127.321 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: 7, replica: 9 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1358.449960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.449960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.449960 (E_RNA) where: Base-Base interactions energy: -848.675 where: short stacking energy: -387.651 Base-Backbone interact. energy: 0.219 local terms energy: -509.994061 where: bonds (distance) C4'-P energy: -115.731 bonds (distance) P-C4' energy: -101.452 flat angles C4'-P-C4' energy: -122.789 flat angles P-C4'-P energy: -83.387 tors. eta vs tors. theta energy: -86.634 Dist. restrs. and SS energy: 0.000 (S_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: 305 Temperature: 1.250000 Total energy: -1050.504769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.504769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.504769 (E_RNA) where: Base-Base interactions energy: -648.121 where: short stacking energy: -305.625 Base-Backbone interact. energy: -4.329 local terms energy: -398.054911 where: bonds (distance) C4'-P energy: -99.966 bonds (distance) P-C4' energy: -105.845 flat angles C4'-P-C4' energy: -98.012 flat angles P-C4'-P energy: -57.339 tors. eta vs tors. theta energy: -36.893 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: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -913.344239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.344239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.344239 (E_RNA) where: Base-Base interactions energy: -517.632 where: short stacking energy: -268.601 Base-Backbone interact. energy: 2.260 local terms energy: -397.972396 where: bonds (distance) C4'-P energy: -108.716 bonds (distance) P-C4' energy: -107.267 flat angles C4'-P-C4' energy: -81.056 flat angles P-C4'-P energy: -65.203 tors. eta vs tors. theta energy: -35.730 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: 10, replica: 5 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -803.674002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.674002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.674002 (E_RNA) where: Base-Base interactions energy: -415.584 where: short stacking energy: -217.026 Base-Backbone interact. energy: 4.908 local terms energy: -392.998661 where: bonds (distance) C4'-P energy: -87.148 bonds (distance) P-C4' energy: -114.752 flat angles C4'-P-C4' energy: -88.418 flat angles P-C4'-P energy: -59.929 tors. eta vs tors. theta energy: -42.752 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: 10 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2207.729538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.729538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.729538 (E_RNA) where: Base-Base interactions energy: -1524.474 where: short stacking energy: -667.038 Base-Backbone interact. energy: -5.489 local terms energy: -677.766808 where: bonds (distance) C4'-P energy: -125.024 bonds (distance) P-C4' energy: -114.728 flat angles C4'-P-C4' energy: -143.875 flat angles P-C4'-P energy: -96.226 tors. eta vs tors. theta energy: -197.914 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: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2105.799415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.799415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.799415 (E_RNA) where: Base-Base interactions energy: -1449.889 where: short stacking energy: -616.334 Base-Backbone interact. energy: -3.242 local terms energy: -652.668142 where: bonds (distance) C4'-P energy: -121.461 bonds (distance) P-C4' energy: -115.248 flat angles C4'-P-C4' energy: -136.495 flat angles P-C4'-P energy: -96.935 tors. eta vs tors. theta energy: -182.529 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: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2073.548166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.548166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.548166 (E_RNA) where: Base-Base interactions energy: -1449.011 where: short stacking energy: -576.759 Base-Backbone interact. energy: -6.408 local terms energy: -618.129284 where: bonds (distance) C4'-P energy: -121.018 bonds (distance) P-C4' energy: -114.487 flat angles C4'-P-C4' energy: -127.508 flat angles P-C4'-P energy: -94.199 tors. eta vs tors. theta energy: -160.917 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: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1907.690754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.690754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.690754 (E_RNA) where: Base-Base interactions energy: -1298.876 where: short stacking energy: -584.249 Base-Backbone interact. energy: 0.328 local terms energy: -609.142233 where: bonds (distance) C4'-P energy: -108.531 bonds (distance) P-C4' energy: -113.099 flat angles C4'-P-C4' energy: -122.951 flat angles P-C4'-P energy: -89.824 tors. eta vs tors. theta energy: -174.738 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: 5, replica: 6 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1782.539021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.539021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.539021 (E_RNA) where: Base-Base interactions energy: -1190.351 where: short stacking energy: -497.801 Base-Backbone interact. energy: -1.701 local terms energy: -590.486277 where: bonds (distance) C4'-P energy: -107.391 bonds (distance) P-C4' energy: -110.050 flat angles C4'-P-C4' energy: -134.156 flat angles P-C4'-P energy: -92.738 tors. eta vs tors. theta energy: -146.152 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: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1599.424972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.424972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.424972 (E_RNA) where: Base-Base interactions energy: -1063.025 where: short stacking energy: -462.507 Base-Backbone interact. energy: -1.068 local terms energy: -535.332185 where: bonds (distance) C4'-P energy: -115.609 bonds (distance) P-C4' energy: -104.407 flat angles C4'-P-C4' energy: -117.571 flat angles P-C4'-P energy: -70.244 tors. eta vs tors. theta energy: -127.501 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: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1419.558045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.558045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.558045 (E_RNA) where: Base-Base interactions energy: -908.592 where: short stacking energy: -402.950 Base-Backbone interact. energy: -2.155 local terms energy: -508.810421 where: bonds (distance) C4'-P energy: -96.253 bonds (distance) P-C4' energy: -112.658 flat angles C4'-P-C4' energy: -112.177 flat angles P-C4'-P energy: -88.501 tors. eta vs tors. theta energy: -99.222 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: 8, replica: 2 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1053.918238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.918238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.918238 (E_RNA) where: Base-Base interactions energy: -629.879 where: short stacking energy: -316.162 Base-Backbone interact. energy: -2.931 local terms energy: -421.108097 where: bonds (distance) C4'-P energy: -97.468 bonds (distance) P-C4' energy: -95.275 flat angles C4'-P-C4' energy: -101.524 flat angles P-C4'-P energy: -66.859 tors. eta vs tors. theta energy: -59.983 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: 9, replica: 3 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -836.546362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.546362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.546362 (E_RNA) where: Base-Base interactions energy: -448.871 where: short stacking energy: -224.651 Base-Backbone interact. energy: -0.880 local terms energy: -386.794694 where: bonds (distance) C4'-P energy: -94.290 bonds (distance) P-C4' energy: -122.074 flat angles C4'-P-C4' energy: -109.639 flat angles P-C4'-P energy: -50.953 tors. eta vs tors. theta energy: -9.839 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: 5 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -772.793314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.793314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.793314 (E_RNA) where: Base-Base interactions energy: -425.650 where: short stacking energy: -194.828 Base-Backbone interact. energy: -0.632 local terms energy: -346.511934 where: bonds (distance) C4'-P energy: -117.489 bonds (distance) P-C4' energy: -102.795 flat angles C4'-P-C4' energy: -76.331 flat angles P-C4'-P energy: -45.261 tors. eta vs tors. theta energy: -4.636 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: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2216.489195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.489195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.489195 (E_RNA) where: Base-Base interactions energy: -1538.954 where: short stacking energy: -655.859 Base-Backbone interact. energy: -4.188 local terms energy: -673.346574 where: bonds (distance) C4'-P energy: -131.146 bonds (distance) P-C4' energy: -116.362 flat angles C4'-P-C4' energy: -146.027 flat angles P-C4'-P energy: -85.905 tors. eta vs tors. theta energy: -193.907 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: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2121.974431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.974431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.974431 (E_RNA) where: Base-Base interactions energy: -1502.445 where: short stacking energy: -589.719 Base-Backbone interact. energy: -3.003 local terms energy: -616.526619 where: bonds (distance) C4'-P energy: -119.058 bonds (distance) P-C4' energy: -125.496 flat angles C4'-P-C4' energy: -131.256 flat angles P-C4'-P energy: -86.174 tors. eta vs tors. theta energy: -154.543 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: 7 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2065.386324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.386324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.386324 (E_RNA) where: Base-Base interactions energy: -1430.801 where: short stacking energy: -611.257 Base-Backbone interact. energy: -1.289 local terms energy: -633.295892 where: bonds (distance) C4'-P energy: -104.419 bonds (distance) P-C4' energy: -116.923 flat angles C4'-P-C4' energy: -141.749 flat angles P-C4'-P energy: -95.641 tors. eta vs tors. theta energy: -174.564 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: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1913.761110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.761110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.761110 (E_RNA) where: Base-Base interactions energy: -1298.664 where: short stacking energy: -571.677 Base-Backbone interact. energy: 0.163 local terms energy: -615.260065 where: bonds (distance) C4'-P energy: -110.671 bonds (distance) P-C4' energy: -124.561 flat angles C4'-P-C4' energy: -145.703 flat angles P-C4'-P energy: -87.969 tors. eta vs tors. theta energy: -146.356 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: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1785.367710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.367710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.367710 (E_RNA) where: Base-Base interactions energy: -1240.297 where: short stacking energy: -531.236 Base-Backbone interact. energy: -1.301 local terms energy: -543.768837 where: bonds (distance) C4'-P energy: -98.279 bonds (distance) P-C4' energy: -103.998 flat angles C4'-P-C4' energy: -120.180 flat angles P-C4'-P energy: -73.100 tors. eta vs tors. theta energy: -148.211 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: 8 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1599.612892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.612892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.612892 (E_RNA) where: Base-Base interactions energy: -1061.017 where: short stacking energy: -490.471 Base-Backbone interact. energy: 0.813 local terms energy: -539.408628 where: bonds (distance) C4'-P energy: -106.736 bonds (distance) P-C4' energy: -111.050 flat angles C4'-P-C4' energy: -119.265 flat angles P-C4'-P energy: -69.706 tors. eta vs tors. theta energy: -132.652 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: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1376.833266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.833266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.833266 (E_RNA) where: Base-Base interactions energy: -918.926 where: short stacking energy: -402.457 Base-Backbone interact. energy: 5.315 local terms energy: -463.222536 where: bonds (distance) C4'-P energy: -96.307 bonds (distance) P-C4' energy: -107.055 flat angles C4'-P-C4' energy: -118.809 flat angles P-C4'-P energy: -60.933 tors. eta vs tors. theta energy: -80.118 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: 8, replica: 2 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1034.801103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.801103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.801103 (E_RNA) where: Base-Base interactions energy: -578.477 where: short stacking energy: -276.469 Base-Backbone interact. energy: 2.442 local terms energy: -458.765244 where: bonds (distance) C4'-P energy: -126.981 bonds (distance) P-C4' energy: -112.560 flat angles C4'-P-C4' energy: -114.599 flat angles P-C4'-P energy: -55.881 tors. eta vs tors. theta energy: -48.744 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: 3 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -884.566874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.566874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.566874 (E_RNA) where: Base-Base interactions energy: -517.764 where: short stacking energy: -266.637 Base-Backbone interact. energy: 2.705 local terms energy: -369.508394 where: bonds (distance) C4'-P energy: -83.696 bonds (distance) P-C4' energy: -106.212 flat angles C4'-P-C4' energy: -86.975 flat angles P-C4'-P energy: -53.741 tors. eta vs tors. theta energy: -38.883 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: 10, replica: 5 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -769.272725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.272725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.272725 (E_RNA) where: Base-Base interactions energy: -428.494 where: short stacking energy: -222.666 Base-Backbone interact. energy: -1.327 local terms energy: -339.451939 where: bonds (distance) C4'-P energy: -97.022 bonds (distance) P-C4' energy: -83.768 flat angles C4'-P-C4' energy: -93.521 flat angles P-C4'-P energy: -53.720 tors. eta vs tors. theta energy: -11.422 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: 1, replica: 10 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2230.832918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.832918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.832918 (E_RNA) where: Base-Base interactions energy: -1548.722 where: short stacking energy: -642.814 Base-Backbone interact. energy: -3.545 local terms energy: -678.566690 where: bonds (distance) C4'-P energy: -123.415 bonds (distance) P-C4' energy: -134.941 flat angles C4'-P-C4' energy: -143.531 flat angles P-C4'-P energy: -92.786 tors. eta vs tors. theta energy: -183.892 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: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2145.981906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.981906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.981906 (E_RNA) where: Base-Base interactions energy: -1507.429 where: short stacking energy: -604.335 Base-Backbone interact. energy: 1.991 local terms energy: -640.543934 where: bonds (distance) C4'-P energy: -129.613 bonds (distance) P-C4' energy: -123.130 flat angles C4'-P-C4' energy: -136.004 flat angles P-C4'-P energy: -92.927 tors. eta vs tors. theta energy: -158.870 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: 3, replica: 7 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2036.673668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.673668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.673668 (E_RNA) where: Base-Base interactions energy: -1395.859 where: short stacking energy: -616.288 Base-Backbone interact. energy: -1.843 local terms energy: -638.971462 where: bonds (distance) C4'-P energy: -118.142 bonds (distance) P-C4' energy: -119.002 flat angles C4'-P-C4' energy: -132.430 flat angles P-C4'-P energy: -84.318 tors. eta vs tors. theta energy: -185.080 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: 4, replica: 4 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1881.871747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.871747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.871747 (E_RNA) where: Base-Base interactions energy: -1295.071 where: short stacking energy: -553.068 Base-Backbone interact. energy: -0.759 local terms energy: -586.041507 where: bonds (distance) C4'-P energy: -108.394 bonds (distance) P-C4' energy: -109.401 flat angles C4'-P-C4' energy: -134.868 flat angles P-C4'-P energy: -94.117 tors. eta vs tors. theta energy: -139.260 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: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1811.893669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.893669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.893669 (E_RNA) where: Base-Base interactions energy: -1221.410 where: short stacking energy: -509.710 Base-Backbone interact. energy: 1.525 local terms energy: -592.009005 where: bonds (distance) C4'-P energy: -124.146 bonds (distance) P-C4' energy: -114.443 flat angles C4'-P-C4' energy: -124.838 flat angles P-C4'-P energy: -82.742 tors. eta vs tors. theta energy: -145.841 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: 8 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1601.650246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.650246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.650246 (E_RNA) where: Base-Base interactions energy: -1060.094 where: short stacking energy: -457.097 Base-Backbone interact. energy: 5.930 local terms energy: -547.486076 where: bonds (distance) C4'-P energy: -96.685 bonds (distance) P-C4' energy: -118.919 flat angles C4'-P-C4' energy: -126.966 flat angles P-C4'-P energy: -76.091 tors. eta vs tors. theta energy: -128.824 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: 7, replica: 9 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1461.395414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.395414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.395414 (E_RNA) where: Base-Base interactions energy: -952.651 where: short stacking energy: -418.151 Base-Backbone interact. energy: -3.784 local terms energy: -504.960727 where: bonds (distance) C4'-P energy: -103.938 bonds (distance) P-C4' energy: -117.031 flat angles C4'-P-C4' energy: -110.244 flat angles P-C4'-P energy: -72.857 tors. eta vs tors. theta energy: -100.891 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: 2 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -963.322513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.322513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.322513 (E_RNA) where: Base-Base interactions energy: -564.740 where: short stacking energy: -281.301 Base-Backbone interact. energy: 1.081 local terms energy: -399.663175 where: bonds (distance) C4'-P energy: -86.537 bonds (distance) P-C4' energy: -109.775 flat angles C4'-P-C4' energy: -111.749 flat angles P-C4'-P energy: -51.702 tors. eta vs tors. theta energy: -39.900 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: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -888.400797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.400797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.400797 (E_RNA) where: Base-Base interactions energy: -530.911 where: short stacking energy: -248.994 Base-Backbone interact. energy: -3.476 local terms energy: -354.013277 where: bonds (distance) C4'-P energy: -97.675 bonds (distance) P-C4' energy: -114.137 flat angles C4'-P-C4' energy: -100.042 flat angles P-C4'-P energy: -27.574 tors. eta vs tors. theta energy: -14.585 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: 5 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -810.451499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.451499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.451499 (E_RNA) where: Base-Base interactions energy: -467.857 where: short stacking energy: -243.289 Base-Backbone interact. energy: 0.131 local terms energy: -342.725107 where: bonds (distance) C4'-P energy: -88.534 bonds (distance) P-C4' energy: -84.850 flat angles C4'-P-C4' energy: -87.342 flat angles P-C4'-P energy: -59.825 tors. eta vs tors. theta energy: -22.174 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: 1, replica: 10 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2220.518646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.518646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.518646 (E_RNA) where: Base-Base interactions energy: -1553.370 where: short stacking energy: -651.258 Base-Backbone interact. energy: -3.105 local terms energy: -664.043569 where: bonds (distance) C4'-P energy: -110.496 bonds (distance) P-C4' energy: -130.325 flat angles C4'-P-C4' energy: -139.355 flat angles P-C4'-P energy: -99.171 tors. eta vs tors. theta energy: -184.698 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: 2, replica: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2113.323616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.323616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.323616 (E_RNA) where: Base-Base interactions energy: -1496.570 where: short stacking energy: -589.531 Base-Backbone interact. energy: -4.884 local terms energy: -611.870391 where: bonds (distance) C4'-P energy: -108.054 bonds (distance) P-C4' energy: -127.314 flat angles C4'-P-C4' energy: -116.030 flat angles P-C4'-P energy: -102.471 tors. eta vs tors. theta energy: -158.002 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: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2053.472226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.472226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.472226 (E_RNA) where: Base-Base interactions energy: -1421.779 where: short stacking energy: -603.431 Base-Backbone interact. energy: -2.125 local terms energy: -629.568333 where: bonds (distance) C4'-P energy: -111.176 bonds (distance) P-C4' energy: -98.939 flat angles C4'-P-C4' energy: -135.392 flat angles P-C4'-P energy: -94.809 tors. eta vs tors. theta energy: -189.252 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: 4, replica: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1880.682814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.682814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.682814 (E_RNA) where: Base-Base interactions energy: -1307.260 where: short stacking energy: -534.175 Base-Backbone interact. energy: 2.285 local terms energy: -575.707199 where: bonds (distance) C4'-P energy: -108.043 bonds (distance) P-C4' energy: -105.729 flat angles C4'-P-C4' energy: -138.280 flat angles P-C4'-P energy: -75.856 tors. eta vs tors. theta energy: -147.799 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: 5, replica: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1822.976254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.976254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.976254 (E_RNA) where: Base-Base interactions energy: -1226.793 where: short stacking energy: -513.812 Base-Backbone interact. energy: -4.200 local terms energy: -591.982781 where: bonds (distance) C4'-P energy: -112.577 bonds (distance) P-C4' energy: -115.485 flat angles C4'-P-C4' energy: -134.035 flat angles P-C4'-P energy: -92.530 tors. eta vs tors. theta energy: -137.357 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: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1610.659587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.659587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.659587 (E_RNA) where: Base-Base interactions energy: -1079.055 where: short stacking energy: -484.099 Base-Backbone interact. energy: -0.234 local terms energy: -531.371050 where: bonds (distance) C4'-P energy: -102.030 bonds (distance) P-C4' energy: -110.017 flat angles C4'-P-C4' energy: -118.482 flat angles P-C4'-P energy: -77.332 tors. eta vs tors. theta energy: -123.509 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: 7, replica: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1317.783571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.783571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.783571 (E_RNA) where: Base-Base interactions energy: -841.426 where: short stacking energy: -362.725 Base-Backbone interact. energy: 0.504 local terms energy: -476.861572 where: bonds (distance) C4'-P energy: -120.595 bonds (distance) P-C4' energy: -90.608 flat angles C4'-P-C4' energy: -108.831 flat angles P-C4'-P energy: -76.411 tors. eta vs tors. theta energy: -80.417 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: 8, replica: 2 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -964.088053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.088053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.088053 (E_RNA) where: Base-Base interactions energy: -551.767 where: short stacking energy: -260.551 Base-Backbone interact. energy: -0.561 local terms energy: -411.759251 where: bonds (distance) C4'-P energy: -110.085 bonds (distance) P-C4' energy: -126.066 flat angles C4'-P-C4' energy: -82.737 flat angles P-C4'-P energy: -68.694 tors. eta vs tors. theta energy: -24.176 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: 3 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -872.612279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.612279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.612279 (E_RNA) where: Base-Base interactions energy: -506.384 where: short stacking energy: -236.032 Base-Backbone interact. energy: 2.792 local terms energy: -369.020941 where: bonds (distance) C4'-P energy: -111.386 bonds (distance) P-C4' energy: -91.181 flat angles C4'-P-C4' energy: -116.599 flat angles P-C4'-P energy: -37.966 tors. eta vs tors. theta energy: -11.889 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: 10, replica: 5 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -807.840934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.840934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.840934 (E_RNA) where: Base-Base interactions energy: -444.436 where: short stacking energy: -236.942 Base-Backbone interact. energy: -1.497 local terms energy: -361.908271 where: bonds (distance) C4'-P energy: -99.850 bonds (distance) P-C4' energy: -94.573 flat angles C4'-P-C4' energy: -99.963 flat angles P-C4'-P energy: -57.929 tors. eta vs tors. theta energy: -9.593 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: 310 Temperature: 0.900000 Total energy: -2247.147043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.147043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.147043 (E_RNA) where: Base-Base interactions energy: -1588.285 where: short stacking energy: -650.776 Base-Backbone interact. energy: -8.156 local terms energy: -650.705716 where: bonds (distance) C4'-P energy: -100.860 bonds (distance) P-C4' energy: -122.227 flat angles C4'-P-C4' energy: -143.786 flat angles P-C4'-P energy: -93.500 tors. eta vs tors. theta energy: -190.332 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: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2115.638671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.638671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.638671 (E_RNA) where: Base-Base interactions energy: -1497.415 where: short stacking energy: -590.337 Base-Backbone interact. energy: -4.212 local terms energy: -614.011603 where: bonds (distance) C4'-P energy: -110.115 bonds (distance) P-C4' energy: -117.218 flat angles C4'-P-C4' energy: -128.612 flat angles P-C4'-P energy: -93.346 tors. eta vs tors. theta energy: -164.720 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: 3, replica: 7 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2094.018091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.018091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.018091 (E_RNA) where: Base-Base interactions energy: -1457.583 where: short stacking energy: -617.425 Base-Backbone interact. energy: -1.972 local terms energy: -634.462856 where: bonds (distance) C4'-P energy: -113.327 bonds (distance) P-C4' energy: -112.188 flat angles C4'-P-C4' energy: -141.047 flat angles P-C4'-P energy: -83.646 tors. eta vs tors. theta energy: -184.255 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: 4 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1884.308805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.308805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.308805 (E_RNA) where: Base-Base interactions energy: -1299.324 where: short stacking energy: -556.278 Base-Backbone interact. energy: -2.701 local terms energy: -582.283714 where: bonds (distance) C4'-P energy: -109.330 bonds (distance) P-C4' energy: -115.203 flat angles C4'-P-C4' energy: -126.401 flat angles P-C4'-P energy: -84.250 tors. eta vs tors. theta energy: -147.100 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: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1788.687554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.687554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.687554 (E_RNA) where: Base-Base interactions energy: -1227.866 where: short stacking energy: -524.396 Base-Backbone interact. energy: 0.493 local terms energy: -561.315093 where: bonds (distance) C4'-P energy: -116.606 bonds (distance) P-C4' energy: -104.004 flat angles C4'-P-C4' energy: -124.866 flat angles P-C4'-P energy: -85.340 tors. eta vs tors. theta energy: -130.499 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: 6, replica: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1581.710828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.710828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.710828 (E_RNA) where: Base-Base interactions energy: -1059.650 where: short stacking energy: -472.223 Base-Backbone interact. energy: -0.534 local terms energy: -521.526290 where: bonds (distance) C4'-P energy: -105.963 bonds (distance) P-C4' energy: -112.332 flat angles C4'-P-C4' energy: -121.840 flat angles P-C4'-P energy: -69.797 tors. eta vs tors. theta energy: -111.593 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: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1385.182101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.182101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.182101 (E_RNA) where: Base-Base interactions energy: -924.232 where: short stacking energy: -388.850 Base-Backbone interact. energy: -2.672 local terms energy: -458.278141 where: bonds (distance) C4'-P energy: -97.265 bonds (distance) P-C4' energy: -104.661 flat angles C4'-P-C4' energy: -96.451 flat angles P-C4'-P energy: -69.583 tors. eta vs tors. theta energy: -90.318 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: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1032.781671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.781671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.781671 (E_RNA) where: Base-Base interactions energy: -596.062 where: short stacking energy: -298.433 Base-Backbone interact. energy: -0.703 local terms energy: -436.017086 where: bonds (distance) C4'-P energy: -99.437 bonds (distance) P-C4' energy: -124.120 flat angles C4'-P-C4' energy: -92.969 flat angles P-C4'-P energy: -76.184 tors. eta vs tors. theta energy: -43.306 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: 9, replica: 3 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -837.793493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.793493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.793493 (E_RNA) where: Base-Base interactions energy: -483.071 where: short stacking energy: -248.053 Base-Backbone interact. energy: 3.519 local terms energy: -358.240617 where: bonds (distance) C4'-P energy: -96.352 bonds (distance) P-C4' energy: -89.674 flat angles C4'-P-C4' energy: -90.806 flat angles P-C4'-P energy: -61.403 tors. eta vs tors. theta energy: -20.005 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: 5 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -751.204923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.204923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.204923 (E_RNA) where: Base-Base interactions energy: -405.679 where: short stacking energy: -210.892 Base-Backbone interact. energy: 9.071 local terms energy: -354.596636 where: bonds (distance) C4'-P energy: -86.165 bonds (distance) P-C4' energy: -114.124 flat angles C4'-P-C4' energy: -83.943 flat angles P-C4'-P energy: -58.247 tors. eta vs tors. theta energy: -12.117 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: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2261.170992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.170992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.170992 (E_RNA) where: Base-Base interactions energy: -1579.679 where: short stacking energy: -644.170 Base-Backbone interact. energy: 1.680 local terms energy: -683.171840 where: bonds (distance) C4'-P energy: -134.564 bonds (distance) P-C4' energy: -135.483 flat angles C4'-P-C4' energy: -137.705 flat angles P-C4'-P energy: -90.599 tors. eta vs tors. theta energy: -184.820 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: 2, replica: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2129.961750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.961750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.961750 (E_RNA) where: Base-Base interactions energy: -1506.826 where: short stacking energy: -592.725 Base-Backbone interact. energy: -5.296 local terms energy: -617.839366 where: bonds (distance) C4'-P energy: -112.615 bonds (distance) P-C4' energy: -123.812 flat angles C4'-P-C4' energy: -116.030 flat angles P-C4'-P energy: -87.780 tors. eta vs tors. theta energy: -177.601 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: 3, replica: 7 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2078.076060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.076060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.076060 (E_RNA) where: Base-Base interactions energy: -1430.294 where: short stacking energy: -621.461 Base-Backbone interact. energy: -0.645 local terms energy: -647.136573 where: bonds (distance) C4'-P energy: -103.906 bonds (distance) P-C4' energy: -125.641 flat angles C4'-P-C4' energy: -131.659 flat angles P-C4'-P energy: -91.169 tors. eta vs tors. theta energy: -194.762 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: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1913.766276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.766276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.766276 (E_RNA) where: Base-Base interactions energy: -1316.540 where: short stacking energy: -551.726 Base-Backbone interact. energy: -3.298 local terms energy: -593.928248 where: bonds (distance) C4'-P energy: -121.309 bonds (distance) P-C4' energy: -99.839 flat angles C4'-P-C4' energy: -136.081 flat angles P-C4'-P energy: -88.458 tors. eta vs tors. theta energy: -148.240 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: 5, replica: 6 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1825.860430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.860430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.860430 (E_RNA) where: Base-Base interactions energy: -1238.778 where: short stacking energy: -530.539 Base-Backbone interact. energy: -3.713 local terms energy: -583.369352 where: bonds (distance) C4'-P energy: -108.512 bonds (distance) P-C4' energy: -124.166 flat angles C4'-P-C4' energy: -126.069 flat angles P-C4'-P energy: -70.784 tors. eta vs tors. theta energy: -153.838 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: 8 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1562.111765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.111765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.111765 (E_RNA) where: Base-Base interactions energy: -1028.196 where: short stacking energy: -462.298 Base-Backbone interact. energy: -0.836 local terms energy: -533.079400 where: bonds (distance) C4'-P energy: -118.334 bonds (distance) P-C4' energy: -100.154 flat angles C4'-P-C4' energy: -127.384 flat angles P-C4'-P energy: -73.286 tors. eta vs tors. theta energy: -113.922 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: 7, replica: 9 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1443.795934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.795934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.795934 (E_RNA) where: Base-Base interactions energy: -927.651 where: short stacking energy: -407.132 Base-Backbone interact. energy: -4.119 local terms energy: -512.025727 where: bonds (distance) C4'-P energy: -112.896 bonds (distance) P-C4' energy: -119.679 flat angles C4'-P-C4' energy: -122.012 flat angles P-C4'-P energy: -57.607 tors. eta vs tors. theta energy: -99.832 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: 2 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1066.632959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.632959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.632959 (E_RNA) where: Base-Base interactions energy: -619.839 where: short stacking energy: -309.908 Base-Backbone interact. energy: -3.844 local terms energy: -442.949726 where: bonds (distance) C4'-P energy: -113.404 bonds (distance) P-C4' energy: -103.658 flat angles C4'-P-C4' energy: -111.439 flat angles P-C4'-P energy: -59.959 tors. eta vs tors. theta energy: -54.490 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: 9, replica: 3 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -824.120258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.120258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.120258 (E_RNA) where: Base-Base interactions energy: -451.054 where: short stacking energy: -244.250 Base-Backbone interact. energy: 1.077 local terms energy: -374.143310 where: bonds (distance) C4'-P energy: -102.335 bonds (distance) P-C4' energy: -103.342 flat angles C4'-P-C4' energy: -91.933 flat angles P-C4'-P energy: -50.652 tors. eta vs tors. theta energy: -25.882 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: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -816.150225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.150225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.150225 (E_RNA) where: Base-Base interactions energy: -466.098 where: short stacking energy: -240.899 Base-Backbone interact. energy: 6.405 local terms energy: -356.456732 where: bonds (distance) C4'-P energy: -112.967 bonds (distance) P-C4' energy: -103.413 flat angles C4'-P-C4' energy: -95.215 flat angles P-C4'-P energy: -42.513 tors. eta vs tors. theta energy: -2.349 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: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2253.776707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.776707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.776707 (E_RNA) where: Base-Base interactions energy: -1561.919 where: short stacking energy: -662.145 Base-Backbone interact. energy: -2.806 local terms energy: -689.051288 where: bonds (distance) C4'-P energy: -123.158 bonds (distance) P-C4' energy: -145.579 flat angles C4'-P-C4' energy: -128.197 flat angles P-C4'-P energy: -99.598 tors. eta vs tors. theta energy: -192.520 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: 2, replica: 1 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2164.436245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.436245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.436245 (E_RNA) where: Base-Base interactions energy: -1501.684 where: short stacking energy: -582.918 Base-Backbone interact. energy: -4.740 local terms energy: -658.011855 where: bonds (distance) C4'-P energy: -119.769 bonds (distance) P-C4' energy: -139.250 flat angles C4'-P-C4' energy: -136.936 flat angles P-C4'-P energy: -94.426 tors. eta vs tors. theta energy: -167.630 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: 3, replica: 7 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2086.850589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.850589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.850589 (E_RNA) where: Base-Base interactions energy: -1429.970 where: short stacking energy: -604.003 Base-Backbone interact. energy: -0.049 local terms energy: -656.831704 where: bonds (distance) C4'-P energy: -111.990 bonds (distance) P-C4' energy: -127.518 flat angles C4'-P-C4' energy: -144.430 flat angles P-C4'-P energy: -80.526 tors. eta vs tors. theta energy: -192.368 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: 312 Temperature: 1.050000 Total energy: -1871.710623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.710623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.710623 (E_RNA) where: Base-Base interactions energy: -1272.694 where: short stacking energy: -558.976 Base-Backbone interact. energy: -2.090 local terms energy: -596.927119 where: bonds (distance) C4'-P energy: -101.421 bonds (distance) P-C4' energy: -119.105 flat angles C4'-P-C4' energy: -128.413 flat angles P-C4'-P energy: -85.856 tors. eta vs tors. theta energy: -162.132 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: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1841.942574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.942574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.942574 (E_RNA) where: Base-Base interactions energy: -1265.816 where: short stacking energy: -540.437 Base-Backbone interact. energy: -3.238 local terms energy: -572.888633 where: bonds (distance) C4'-P energy: -101.065 bonds (distance) P-C4' energy: -103.959 flat angles C4'-P-C4' energy: -123.736 flat angles P-C4'-P energy: -86.287 tors. eta vs tors. theta energy: -157.841 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: 8 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1609.389762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.389762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.389762 (E_RNA) where: Base-Base interactions energy: -1075.336 where: short stacking energy: -467.312 Base-Backbone interact. energy: 0.328 local terms energy: -534.381062 where: bonds (distance) C4'-P energy: -112.295 bonds (distance) P-C4' energy: -113.627 flat angles C4'-P-C4' energy: -122.273 flat angles P-C4'-P energy: -75.744 tors. eta vs tors. theta energy: -110.441 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: 9 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1423.059115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.059115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.059115 (E_RNA) where: Base-Base interactions energy: -951.084 where: short stacking energy: -395.206 Base-Backbone interact. energy: -3.190 local terms energy: -468.785142 where: bonds (distance) C4'-P energy: -113.793 bonds (distance) P-C4' energy: -105.109 flat angles C4'-P-C4' energy: -92.569 flat angles P-C4'-P energy: -65.845 tors. eta vs tors. theta energy: -91.469 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: 8, replica: 2 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1026.873687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.873687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.873687 (E_RNA) where: Base-Base interactions energy: -583.802 where: short stacking energy: -286.971 Base-Backbone interact. energy: 0.025 local terms energy: -443.097394 where: bonds (distance) C4'-P energy: -115.859 bonds (distance) P-C4' energy: -106.328 flat angles C4'-P-C4' energy: -112.381 flat angles P-C4'-P energy: -64.360 tors. eta vs tors. theta energy: -44.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -904.896938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.896938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.896938 (E_RNA) where: Base-Base interactions energy: -511.605 where: short stacking energy: -257.104 Base-Backbone interact. energy: -3.311 local terms energy: -389.980794 where: bonds (distance) C4'-P energy: -105.483 bonds (distance) P-C4' energy: -94.133 flat angles C4'-P-C4' energy: -105.430 flat angles P-C4'-P energy: -51.184 tors. eta vs tors. theta energy: -33.752 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: 10, replica: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -781.757751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.757751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.757751 (E_RNA) where: Base-Base interactions energy: -439.938 where: short stacking energy: -225.200 Base-Backbone interact. energy: 0.900 local terms energy: -342.719317 where: bonds (distance) C4'-P energy: -90.628 bonds (distance) P-C4' energy: -93.545 flat angles C4'-P-C4' energy: -83.789 flat angles P-C4'-P energy: -63.096 tors. eta vs tors. theta energy: -11.661 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: 1, replica: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2230.981623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.981623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.981623 (E_RNA) where: Base-Base interactions energy: -1537.945 where: short stacking energy: -635.923 Base-Backbone interact. energy: -2.015 local terms energy: -691.022078 where: bonds (distance) C4'-P energy: -123.698 bonds (distance) P-C4' energy: -129.729 flat angles C4'-P-C4' energy: -136.898 flat angles P-C4'-P energy: -103.179 tors. eta vs tors. theta energy: -197.518 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: 2, replica: 1 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2190.479115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.479115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.479115 (E_RNA) where: Base-Base interactions energy: -1540.964 where: short stacking energy: -618.605 Base-Backbone interact. energy: -3.871 local terms energy: -645.644413 where: bonds (distance) C4'-P energy: -125.214 bonds (distance) P-C4' energy: -108.482 flat angles C4'-P-C4' energy: -147.094 flat angles P-C4'-P energy: -96.479 tors. eta vs tors. theta energy: -168.375 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: 3, replica: 7 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2104.491660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.491660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.491660 (E_RNA) where: Base-Base interactions energy: -1430.869 where: short stacking energy: -626.231 Base-Backbone interact. energy: -2.216 local terms energy: -671.406450 where: bonds (distance) C4'-P energy: -125.623 bonds (distance) P-C4' energy: -122.134 flat angles C4'-P-C4' energy: -136.048 flat angles P-C4'-P energy: -101.343 tors. eta vs tors. theta energy: -186.257 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: 4, replica: 4 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1871.521305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.521305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.521305 (E_RNA) where: Base-Base interactions energy: -1268.899 where: short stacking energy: -529.619 Base-Backbone interact. energy: -2.647 local terms energy: -599.975062 where: bonds (distance) C4'-P energy: -118.422 bonds (distance) P-C4' energy: -123.889 flat angles C4'-P-C4' energy: -127.191 flat angles P-C4'-P energy: -79.882 tors. eta vs tors. theta energy: -150.591 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: 5, replica: 6 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1807.586634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.586634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.586634 (E_RNA) where: Base-Base interactions energy: -1218.576 where: short stacking energy: -515.632 Base-Backbone interact. energy: -4.841 local terms energy: -584.169458 where: bonds (distance) C4'-P energy: -108.509 bonds (distance) P-C4' energy: -127.150 flat angles C4'-P-C4' energy: -129.692 flat angles P-C4'-P energy: -70.753 tors. eta vs tors. theta energy: -148.065 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: 6, replica: 8 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1645.739392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.739392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.739392 (E_RNA) where: Base-Base interactions energy: -1108.713 where: short stacking energy: -470.029 Base-Backbone interact. energy: -3.997 local terms energy: -533.029454 where: bonds (distance) C4'-P energy: -104.487 bonds (distance) P-C4' energy: -104.817 flat angles C4'-P-C4' energy: -119.930 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: -136.482 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: 7, replica: 9 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1465.092249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.092249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.092249 (E_RNA) where: Base-Base interactions energy: -940.909 where: short stacking energy: -409.405 Base-Backbone interact. energy: -0.309 local terms energy: -523.874384 where: bonds (distance) C4'-P energy: -105.122 bonds (distance) P-C4' energy: -118.964 flat angles C4'-P-C4' energy: -111.226 flat angles P-C4'-P energy: -85.003 tors. eta vs tors. theta energy: -103.559 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: 2 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1043.086915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.086915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.086915 (E_RNA) where: Base-Base interactions energy: -598.974 where: short stacking energy: -283.879 Base-Backbone interact. energy: -4.757 local terms energy: -439.356613 where: bonds (distance) C4'-P energy: -105.752 bonds (distance) P-C4' energy: -115.182 flat angles C4'-P-C4' energy: -102.810 flat angles P-C4'-P energy: -62.345 tors. eta vs tors. theta energy: -53.267 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: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -862.116597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.116597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.116597 (E_RNA) where: Base-Base interactions energy: -485.856 where: short stacking energy: -259.285 Base-Backbone interact. energy: 0.434 local terms energy: -376.694802 where: bonds (distance) C4'-P energy: -83.120 bonds (distance) P-C4' energy: -111.413 flat angles C4'-P-C4' energy: -98.337 flat angles P-C4'-P energy: -53.675 tors. eta vs tors. theta energy: -30.150 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: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -793.753338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.753338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.753338 (E_RNA) where: Base-Base interactions energy: -415.846 where: short stacking energy: -209.673 Base-Backbone interact. energy: 1.316 local terms energy: -379.223314 where: bonds (distance) C4'-P energy: -105.309 bonds (distance) P-C4' energy: -95.942 flat angles C4'-P-C4' energy: -106.657 flat angles P-C4'-P energy: -61.084 tors. eta vs tors. theta energy: -10.232 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: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2232.797295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.797295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.797295 (E_RNA) where: Base-Base interactions energy: -1532.526 where: short stacking energy: -641.978 Base-Backbone interact. energy: -2.616 local terms energy: -697.655338 where: bonds (distance) C4'-P energy: -130.166 bonds (distance) P-C4' energy: -133.680 flat angles C4'-P-C4' energy: -145.119 flat angles P-C4'-P energy: -92.077 tors. eta vs tors. theta energy: -196.613 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: 2, replica: 1 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2170.063107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.063107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.063107 (E_RNA) where: Base-Base interactions energy: -1515.228 where: short stacking energy: -598.273 Base-Backbone interact. energy: -0.628 local terms energy: -654.206610 where: bonds (distance) C4'-P energy: -116.350 bonds (distance) P-C4' energy: -123.312 flat angles C4'-P-C4' energy: -144.096 flat angles P-C4'-P energy: -100.849 tors. eta vs tors. theta energy: -169.601 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: 3, replica: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2045.422523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.422523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.422523 (E_RNA) where: Base-Base interactions energy: -1399.455 where: short stacking energy: -619.592 Base-Backbone interact. energy: -3.765 local terms energy: -642.202017 where: bonds (distance) C4'-P energy: -105.171 bonds (distance) P-C4' energy: -127.509 flat angles C4'-P-C4' energy: -140.375 flat angles P-C4'-P energy: -85.630 tors. eta vs tors. theta energy: -183.517 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: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1879.525258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.525258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.525258 (E_RNA) where: Base-Base interactions energy: -1275.266 where: short stacking energy: -556.243 Base-Backbone interact. energy: -1.904 local terms energy: -602.355725 where: bonds (distance) C4'-P energy: -108.661 bonds (distance) P-C4' energy: -117.551 flat angles C4'-P-C4' energy: -131.720 flat angles P-C4'-P energy: -87.223 tors. eta vs tors. theta energy: -157.201 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: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1861.027585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.027585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.027585 (E_RNA) where: Base-Base interactions energy: -1264.967 where: short stacking energy: -536.798 Base-Backbone interact. energy: -0.933 local terms energy: -595.127681 where: bonds (distance) C4'-P energy: -117.221 bonds (distance) P-C4' energy: -106.122 flat angles C4'-P-C4' energy: -128.271 flat angles P-C4'-P energy: -90.036 tors. eta vs tors. theta energy: -153.478 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: 6, replica: 8 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1603.588691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.588691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.588691 (E_RNA) where: Base-Base interactions energy: -1051.258 where: short stacking energy: -461.802 Base-Backbone interact. energy: -1.867 local terms energy: -550.463226 where: bonds (distance) C4'-P energy: -108.910 bonds (distance) P-C4' energy: -122.105 flat angles C4'-P-C4' energy: -129.843 flat angles P-C4'-P energy: -71.645 tors. eta vs tors. theta energy: -117.960 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: 7, replica: 9 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1426.130307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.130307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.130307 (E_RNA) where: Base-Base interactions energy: -928.302 where: short stacking energy: -403.918 Base-Backbone interact. energy: -4.068 local terms energy: -493.759748 where: bonds (distance) C4'-P energy: -102.940 bonds (distance) P-C4' energy: -106.845 flat angles C4'-P-C4' energy: -125.484 flat angles P-C4'-P energy: -70.452 tors. eta vs tors. theta energy: -88.038 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: 8, replica: 2 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1024.703517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.703517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.703517 (E_RNA) where: Base-Base interactions energy: -590.967 where: short stacking energy: -257.337 Base-Backbone interact. energy: 0.358 local terms energy: -434.094620 where: bonds (distance) C4'-P energy: -104.753 bonds (distance) P-C4' energy: -110.688 flat angles C4'-P-C4' energy: -112.419 flat angles P-C4'-P energy: -63.562 tors. eta vs tors. theta energy: -42.673 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: 9, replica: 5 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -863.258211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.258211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.258211 (E_RNA) where: Base-Base interactions energy: -488.095 where: short stacking energy: -248.905 Base-Backbone interact. energy: 1.170 local terms energy: -376.332814 where: bonds (distance) C4'-P energy: -113.667 bonds (distance) P-C4' energy: -82.030 flat angles C4'-P-C4' energy: -104.545 flat angles P-C4'-P energy: -47.393 tors. eta vs tors. theta energy: -28.697 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: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -815.705558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.705558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.705558 (E_RNA) where: Base-Base interactions energy: -435.828 where: short stacking energy: -215.784 Base-Backbone interact. energy: -1.358 local terms energy: -378.520311 where: bonds (distance) C4'-P energy: -99.011 bonds (distance) P-C4' energy: -105.938 flat angles C4'-P-C4' energy: -105.703 flat angles P-C4'-P energy: -49.131 tors. eta vs tors. theta energy: -18.738 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: 1, replica: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2224.734638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.734638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.734638 (E_RNA) where: Base-Base interactions energy: -1545.944 where: short stacking energy: -637.457 Base-Backbone interact. energy: -0.706 local terms energy: -678.084722 where: bonds (distance) C4'-P energy: -128.601 bonds (distance) P-C4' energy: -126.710 flat angles C4'-P-C4' energy: -147.784 flat angles P-C4'-P energy: -88.401 tors. eta vs tors. theta energy: -186.589 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: 1 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2164.386642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.386642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.386642 (E_RNA) where: Base-Base interactions energy: -1517.047 where: short stacking energy: -627.054 Base-Backbone interact. energy: -4.419 local terms energy: -642.921114 where: bonds (distance) C4'-P energy: -120.388 bonds (distance) P-C4' energy: -116.425 flat angles C4'-P-C4' energy: -134.840 flat angles P-C4'-P energy: -95.391 tors. eta vs tors. theta energy: -175.877 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: 7 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2054.771818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.771818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.771818 (E_RNA) where: Base-Base interactions energy: -1369.454 where: short stacking energy: -603.759 Base-Backbone interact. energy: -2.187 local terms energy: -683.130829 where: bonds (distance) C4'-P energy: -135.775 bonds (distance) P-C4' energy: -128.631 flat angles C4'-P-C4' energy: -145.106 flat angles P-C4'-P energy: -87.404 tors. eta vs tors. theta energy: -186.215 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: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1896.817535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.817535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.817535 (E_RNA) where: Base-Base interactions energy: -1287.498 where: short stacking energy: -526.767 Base-Backbone interact. energy: -3.270 local terms energy: -606.049922 where: bonds (distance) C4'-P energy: -122.506 bonds (distance) P-C4' energy: -116.368 flat angles C4'-P-C4' energy: -134.658 flat angles P-C4'-P energy: -82.334 tors. eta vs tors. theta energy: -150.184 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: 5, replica: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1811.159377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.159377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.159377 (E_RNA) where: Base-Base interactions energy: -1238.388 where: short stacking energy: -519.982 Base-Backbone interact. energy: 0.738 local terms energy: -573.508917 where: bonds (distance) C4'-P energy: -107.980 bonds (distance) P-C4' energy: -116.823 flat angles C4'-P-C4' energy: -132.131 flat angles P-C4'-P energy: -72.624 tors. eta vs tors. theta energy: -143.951 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: 6, replica: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1577.654280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.654280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.654280 (E_RNA) where: Base-Base interactions energy: -1039.858 where: short stacking energy: -446.548 Base-Backbone interact. energy: -2.787 local terms energy: -535.008643 where: bonds (distance) C4'-P energy: -110.302 bonds (distance) P-C4' energy: -123.373 flat angles C4'-P-C4' energy: -124.152 flat angles P-C4'-P energy: -62.292 tors. eta vs tors. theta energy: -114.891 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: 7, replica: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1430.880160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.880160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.880160 (E_RNA) where: Base-Base interactions energy: -924.130 where: short stacking energy: -399.741 Base-Backbone interact. energy: -0.095 local terms energy: -506.655775 where: bonds (distance) C4'-P energy: -108.664 bonds (distance) P-C4' energy: -115.570 flat angles C4'-P-C4' energy: -114.938 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: -95.075 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: 8, replica: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1008.249889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.249889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.249889 (E_RNA) where: Base-Base interactions energy: -623.241 where: short stacking energy: -289.659 Base-Backbone interact. energy: 1.098 local terms energy: -386.106781 where: bonds (distance) C4'-P energy: -85.005 bonds (distance) P-C4' energy: -102.200 flat angles C4'-P-C4' energy: -94.200 flat angles P-C4'-P energy: -63.112 tors. eta vs tors. theta energy: -41.588 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: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -875.802106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.802106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.802106 (E_RNA) where: Base-Base interactions energy: -448.182 where: short stacking energy: -240.188 Base-Backbone interact. energy: -0.921 local terms energy: -426.699013 where: bonds (distance) C4'-P energy: -112.543 bonds (distance) P-C4' energy: -127.129 flat angles C4'-P-C4' energy: -100.548 flat angles P-C4'-P energy: -54.564 tors. eta vs tors. theta energy: -31.915 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: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -752.376809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.376809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.376809 (E_RNA) where: Base-Base interactions energy: -396.754 where: short stacking energy: -197.304 Base-Backbone interact. energy: -0.613 local terms energy: -355.009506 where: bonds (distance) C4'-P energy: -87.793 bonds (distance) P-C4' energy: -110.593 flat angles C4'-P-C4' energy: -92.774 flat angles P-C4'-P energy: -55.948 tors. eta vs tors. theta energy: -7.901 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: 1, replica: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2224.025250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.025250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.025250 (E_RNA) where: Base-Base interactions energy: -1553.093 where: short stacking energy: -642.183 Base-Backbone interact. energy: -2.665 local terms energy: -668.267959 where: bonds (distance) C4'-P energy: -125.488 bonds (distance) P-C4' energy: -127.937 flat angles C4'-P-C4' energy: -131.144 flat angles P-C4'-P energy: -98.513 tors. eta vs tors. theta energy: -185.186 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: 1 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2156.830058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.830058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.830058 (E_RNA) where: Base-Base interactions energy: -1507.209 where: short stacking energy: -601.636 Base-Backbone interact. energy: -2.389 local terms energy: -647.232338 where: bonds (distance) C4'-P energy: -114.796 bonds (distance) P-C4' energy: -125.077 flat angles C4'-P-C4' energy: -139.344 flat angles P-C4'-P energy: -95.725 tors. eta vs tors. theta energy: -172.291 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: 7 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2060.832279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.832279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.832279 (E_RNA) where: Base-Base interactions energy: -1402.911 where: short stacking energy: -607.862 Base-Backbone interact. energy: -1.069 local terms energy: -656.851628 where: bonds (distance) C4'-P energy: -119.670 bonds (distance) P-C4' energy: -114.545 flat angles C4'-P-C4' energy: -141.567 flat angles P-C4'-P energy: -88.499 tors. eta vs tors. theta energy: -192.570 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: 4, replica: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1885.774389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.774389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.774389 (E_RNA) where: Base-Base interactions energy: -1274.493 where: short stacking energy: -548.460 Base-Backbone interact. energy: -1.720 local terms energy: -609.561279 where: bonds (distance) C4'-P energy: -118.142 bonds (distance) P-C4' energy: -110.052 flat angles C4'-P-C4' energy: -136.586 flat angles P-C4'-P energy: -89.189 tors. eta vs tors. theta energy: -155.593 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: 6 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1791.699191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.699191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.699191 (E_RNA) where: Base-Base interactions energy: -1250.574 where: short stacking energy: -531.549 Base-Backbone interact. energy: 8.640 local terms energy: -549.764698 where: bonds (distance) C4'-P energy: -93.391 bonds (distance) P-C4' energy: -101.527 flat angles C4'-P-C4' energy: -132.447 flat angles P-C4'-P energy: -84.105 tors. eta vs tors. theta energy: -138.294 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: 6, replica: 8 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1588.450257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.450257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.450257 (E_RNA) where: Base-Base interactions energy: -1041.832 where: short stacking energy: -478.881 Base-Backbone interact. energy: -0.295 local terms energy: -546.323117 where: bonds (distance) C4'-P energy: -113.427 bonds (distance) P-C4' energy: -109.369 flat angles C4'-P-C4' energy: -123.214 flat angles P-C4'-P energy: -71.238 tors. eta vs tors. theta energy: -129.075 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: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1429.152657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.152657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.152657 (E_RNA) where: Base-Base interactions energy: -911.902 where: short stacking energy: -413.950 Base-Backbone interact. energy: -2.812 local terms energy: -514.438700 where: bonds (distance) C4'-P energy: -114.103 bonds (distance) P-C4' energy: -103.595 flat angles C4'-P-C4' energy: -114.422 flat angles P-C4'-P energy: -79.306 tors. eta vs tors. theta energy: -103.013 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: 8, replica: 2 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1013.156269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.156269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.156269 (E_RNA) where: Base-Base interactions energy: -597.781 where: short stacking energy: -285.024 Base-Backbone interact. energy: -2.875 local terms energy: -412.499812 where: bonds (distance) C4'-P energy: -89.838 bonds (distance) P-C4' energy: -111.676 flat angles C4'-P-C4' energy: -115.338 flat angles P-C4'-P energy: -59.584 tors. eta vs tors. theta energy: -36.064 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: 9, replica: 5 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -868.839431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.839431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.839431 (E_RNA) where: Base-Base interactions energy: -478.892 where: short stacking energy: -248.130 Base-Backbone interact. energy: -0.897 local terms energy: -389.050717 where: bonds (distance) C4'-P energy: -94.816 bonds (distance) P-C4' energy: -118.752 flat angles C4'-P-C4' energy: -98.709 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -28.137 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: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -761.183233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.183233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.183233 (E_RNA) where: Base-Base interactions energy: -406.016 where: short stacking energy: -202.742 Base-Backbone interact. energy: 13.687 local terms energy: -368.854117 where: bonds (distance) C4'-P energy: -107.330 bonds (distance) P-C4' energy: -116.801 flat angles C4'-P-C4' energy: -94.843 flat angles P-C4'-P energy: -47.670 tors. eta vs tors. theta energy: -2.209 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: 1, replica: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2229.606588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.606588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.606588 (E_RNA) where: Base-Base interactions energy: -1540.500 where: short stacking energy: -657.803 Base-Backbone interact. energy: -1.538 local terms energy: -687.568736 where: bonds (distance) C4'-P energy: -115.532 bonds (distance) P-C4' energy: -135.656 flat angles C4'-P-C4' energy: -146.930 flat angles P-C4'-P energy: -96.440 tors. eta vs tors. theta energy: -193.010 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: 2, replica: 1 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2168.516098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.516098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.516098 (E_RNA) where: Base-Base interactions energy: -1531.862 where: short stacking energy: -627.980 Base-Backbone interact. energy: 0.561 local terms energy: -637.215830 where: bonds (distance) C4'-P energy: -119.276 bonds (distance) P-C4' energy: -120.292 flat angles C4'-P-C4' energy: -136.962 flat angles P-C4'-P energy: -86.879 tors. eta vs tors. theta energy: -173.808 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: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2067.427959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.427959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.427959 (E_RNA) where: Base-Base interactions energy: -1417.050 where: short stacking energy: -610.707 Base-Backbone interact. energy: -5.112 local terms energy: -645.266227 where: bonds (distance) C4'-P energy: -115.752 bonds (distance) P-C4' energy: -118.255 flat angles C4'-P-C4' energy: -138.264 flat angles P-C4'-P energy: -86.022 tors. eta vs tors. theta energy: -186.973 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: 4, replica: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1906.151580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.151580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.151580 (E_RNA) where: Base-Base interactions energy: -1310.956 where: short stacking energy: -556.815 Base-Backbone interact. energy: -1.393 local terms energy: -593.802383 where: bonds (distance) C4'-P energy: -111.790 bonds (distance) P-C4' energy: -106.201 flat angles C4'-P-C4' energy: -127.664 flat angles P-C4'-P energy: -84.568 tors. eta vs tors. theta energy: -163.579 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: 5, replica: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1815.994395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.994395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.994395 (E_RNA) where: Base-Base interactions energy: -1260.792 where: short stacking energy: -531.310 Base-Backbone interact. energy: -3.619 local terms energy: -551.583343 where: bonds (distance) C4'-P energy: -110.105 bonds (distance) P-C4' energy: -106.824 flat angles C4'-P-C4' energy: -115.338 flat angles P-C4'-P energy: -69.313 tors. eta vs tors. theta energy: -150.004 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: 6, replica: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1570.839925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.839925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.839925 (E_RNA) where: Base-Base interactions energy: -1021.289 where: short stacking energy: -479.142 Base-Backbone interact. energy: -2.419 local terms energy: -547.131723 where: bonds (distance) C4'-P energy: -90.876 bonds (distance) P-C4' energy: -123.558 flat angles C4'-P-C4' energy: -129.954 flat angles P-C4'-P energy: -76.494 tors. eta vs tors. theta energy: -126.251 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: 7, replica: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1364.659940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.659940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.659940 (E_RNA) where: Base-Base interactions energy: -866.614 where: short stacking energy: -414.806 Base-Backbone interact. energy: -1.756 local terms energy: -496.290413 where: bonds (distance) C4'-P energy: -113.976 bonds (distance) P-C4' energy: -94.128 flat angles C4'-P-C4' energy: -112.101 flat angles P-C4'-P energy: -64.532 tors. eta vs tors. theta energy: -111.554 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: 8, replica: 2 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -987.198737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.198737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.198737 (E_RNA) where: Base-Base interactions energy: -584.173 where: short stacking energy: -275.802 Base-Backbone interact. energy: -1.717 local terms energy: -401.309017 where: bonds (distance) C4'-P energy: -108.264 bonds (distance) P-C4' energy: -104.804 flat angles C4'-P-C4' energy: -94.608 flat angles P-C4'-P energy: -43.852 tors. eta vs tors. theta energy: -49.782 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: 9, replica: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -858.743913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.743913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.743913 (E_RNA) where: Base-Base interactions energy: -486.490 where: short stacking energy: -268.645 Base-Backbone interact. energy: -2.154 local terms energy: -370.099677 where: bonds (distance) C4'-P energy: -85.933 bonds (distance) P-C4' energy: -91.428 flat angles C4'-P-C4' energy: -91.964 flat angles P-C4'-P energy: -59.460 tors. eta vs tors. theta energy: -41.315 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: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -769.928218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.928218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.928218 (E_RNA) where: Base-Base interactions energy: -419.307 where: short stacking energy: -213.300 Base-Backbone interact. energy: 2.729 local terms energy: -353.349899 where: bonds (distance) C4'-P energy: -101.291 bonds (distance) P-C4' energy: -104.108 flat angles C4'-P-C4' energy: -89.921 flat angles P-C4'-P energy: -49.396 tors. eta vs tors. theta energy: -8.635 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: 1, replica: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2246.417128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.417128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.417128 (E_RNA) where: Base-Base interactions energy: -1532.434 where: short stacking energy: -648.063 Base-Backbone interact. energy: -0.395 local terms energy: -713.588352 where: bonds (distance) C4'-P energy: -137.574 bonds (distance) P-C4' energy: -135.955 flat angles C4'-P-C4' energy: -141.306 flat angles P-C4'-P energy: -98.563 tors. eta vs tors. theta energy: -200.190 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: 1 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2177.641655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.641655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.641655 (E_RNA) where: Base-Base interactions energy: -1518.028 where: short stacking energy: -608.173 Base-Backbone interact. energy: -3.274 local terms energy: -656.339504 where: bonds (distance) C4'-P energy: -119.357 bonds (distance) P-C4' energy: -132.539 flat angles C4'-P-C4' energy: -131.646 flat angles P-C4'-P energy: -104.444 tors. eta vs tors. theta energy: -168.353 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: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2062.527730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.527730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.527730 (E_RNA) where: Base-Base interactions energy: -1407.909 where: short stacking energy: -602.271 Base-Backbone interact. energy: -2.722 local terms energy: -651.896097 where: bonds (distance) C4'-P energy: -127.749 bonds (distance) P-C4' energy: -113.746 flat angles C4'-P-C4' energy: -127.586 flat angles P-C4'-P energy: -99.340 tors. eta vs tors. theta energy: -183.475 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: 4, replica: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1859.176443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.176443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.176443 (E_RNA) where: Base-Base interactions energy: -1251.999 where: short stacking energy: -518.815 Base-Backbone interact. energy: 1.431 local terms energy: -608.609255 where: bonds (distance) C4'-P energy: -129.330 bonds (distance) P-C4' energy: -120.199 flat angles C4'-P-C4' energy: -129.771 flat angles P-C4'-P energy: -80.541 tors. eta vs tors. theta energy: -148.768 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: 5, replica: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1882.853789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.853789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.853789 (E_RNA) where: Base-Base interactions energy: -1278.240 where: short stacking energy: -536.107 Base-Backbone interact. energy: -5.272 local terms energy: -599.341612 where: bonds (distance) C4'-P energy: -103.897 bonds (distance) P-C4' energy: -106.848 flat angles C4'-P-C4' energy: -131.778 flat angles P-C4'-P energy: -104.767 tors. eta vs tors. theta energy: -152.051 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: 6, replica: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1536.361799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.361799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.361799 (E_RNA) where: Base-Base interactions energy: -1002.844 where: short stacking energy: -459.902 Base-Backbone interact. energy: -1.916 local terms energy: -531.601693 where: bonds (distance) C4'-P energy: -101.630 bonds (distance) P-C4' energy: -106.571 flat angles C4'-P-C4' energy: -113.931 flat angles P-C4'-P energy: -89.034 tors. eta vs tors. theta energy: -120.435 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: 9 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1451.547257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.547257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.547257 (E_RNA) where: Base-Base interactions energy: -940.655 where: short stacking energy: -441.088 Base-Backbone interact. energy: -0.283 local terms energy: -510.609470 where: bonds (distance) C4'-P energy: -105.549 bonds (distance) P-C4' energy: -111.986 flat angles C4'-P-C4' energy: -113.985 flat angles P-C4'-P energy: -62.403 tors. eta vs tors. theta energy: -116.687 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: 8, replica: 2 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1072.656965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.656965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.656965 (E_RNA) where: Base-Base interactions energy: -608.604 where: short stacking energy: -263.562 Base-Backbone interact. energy: -1.180 local terms energy: -462.873078 where: bonds (distance) C4'-P energy: -119.416 bonds (distance) P-C4' energy: -120.810 flat angles C4'-P-C4' energy: -116.753 flat angles P-C4'-P energy: -64.018 tors. eta vs tors. theta energy: -41.876 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: 9, replica: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -854.073796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.073796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.073796 (E_RNA) where: Base-Base interactions energy: -475.371 where: short stacking energy: -239.105 Base-Backbone interact. energy: -3.222 local terms energy: -375.480804 where: bonds (distance) C4'-P energy: -86.090 bonds (distance) P-C4' energy: -86.500 flat angles C4'-P-C4' energy: -103.137 flat angles P-C4'-P energy: -66.696 tors. eta vs tors. theta energy: -33.058 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: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -770.964245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.964245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.964245 (E_RNA) where: Base-Base interactions energy: -434.296 where: short stacking energy: -203.691 Base-Backbone interact. energy: 1.989 local terms energy: -338.657534 where: bonds (distance) C4'-P energy: -89.684 bonds (distance) P-C4' energy: -116.535 flat angles C4'-P-C4' energy: -92.239 flat angles P-C4'-P energy: -41.838 tors. eta vs tors. theta energy: 1.639 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: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2242.990900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.990900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.990900 (E_RNA) where: Base-Base interactions energy: -1566.215 where: short stacking energy: -665.350 Base-Backbone interact. energy: -2.779 local terms energy: -673.996819 where: bonds (distance) C4'-P energy: -132.484 bonds (distance) P-C4' energy: -106.924 flat angles C4'-P-C4' energy: -152.030 flat angles P-C4'-P energy: -97.527 tors. eta vs tors. theta energy: -185.031 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: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2191.396130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.396130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.396130 (E_RNA) where: Base-Base interactions energy: -1548.173 where: short stacking energy: -606.870 Base-Backbone interact. energy: -2.769 local terms energy: -640.454043 where: bonds (distance) C4'-P energy: -116.956 bonds (distance) P-C4' energy: -113.669 flat angles C4'-P-C4' energy: -136.491 flat angles P-C4'-P energy: -100.703 tors. eta vs tors. theta energy: -172.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2054.141977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.141977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.141977 (E_RNA) where: Base-Base interactions energy: -1440.516 where: short stacking energy: -615.035 Base-Backbone interact. energy: 1.826 local terms energy: -615.451559 where: bonds (distance) C4'-P energy: -99.475 bonds (distance) P-C4' energy: -106.468 flat angles C4'-P-C4' energy: -135.538 flat angles P-C4'-P energy: -83.323 tors. eta vs tors. theta energy: -190.648 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: 4, replica: 6 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1915.216170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.216170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.216170 (E_RNA) where: Base-Base interactions energy: -1316.041 where: short stacking energy: -543.985 Base-Backbone interact. energy: -4.355 local terms energy: -594.820350 where: bonds (distance) C4'-P energy: -112.423 bonds (distance) P-C4' energy: -115.461 flat angles C4'-P-C4' energy: -135.286 flat angles P-C4'-P energy: -73.414 tors. eta vs tors. theta energy: -158.237 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: 5, replica: 4 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1822.683315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.683315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.683315 (E_RNA) where: Base-Base interactions energy: -1245.936 where: short stacking energy: -547.721 Base-Backbone interact. energy: -1.869 local terms energy: -574.878607 where: bonds (distance) C4'-P energy: -103.348 bonds (distance) P-C4' energy: -105.584 flat angles C4'-P-C4' energy: -124.685 flat angles P-C4'-P energy: -77.503 tors. eta vs tors. theta energy: -163.758 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: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1566.296615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.296615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.296615 (E_RNA) where: Base-Base interactions energy: -1038.739 where: short stacking energy: -444.115 Base-Backbone interact. energy: -0.749 local terms energy: -526.808343 where: bonds (distance) C4'-P energy: -109.785 bonds (distance) P-C4' energy: -114.301 flat angles C4'-P-C4' energy: -114.718 flat angles P-C4'-P energy: -78.732 tors. eta vs tors. theta energy: -109.273 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: 9 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1428.589985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.589985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.589985 (E_RNA) where: Base-Base interactions energy: -933.794 where: short stacking energy: -438.980 Base-Backbone interact. energy: 2.445 local terms energy: -497.240535 where: bonds (distance) C4'-P energy: -103.991 bonds (distance) P-C4' energy: -99.125 flat angles C4'-P-C4' energy: -120.400 flat angles P-C4'-P energy: -84.186 tors. eta vs tors. theta energy: -89.538 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: 8, replica: 2 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1085.140892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.140892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.140892 (E_RNA) where: Base-Base interactions energy: -658.941 where: short stacking energy: -293.127 Base-Backbone interact. energy: -0.460 local terms energy: -425.739956 where: bonds (distance) C4'-P energy: -105.855 bonds (distance) P-C4' energy: -99.854 flat angles C4'-P-C4' energy: -103.822 flat angles P-C4'-P energy: -60.175 tors. eta vs tors. theta energy: -56.033 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: 9, replica: 5 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -849.089729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.089729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.089729 (E_RNA) where: Base-Base interactions energy: -464.327 where: short stacking energy: -231.563 Base-Backbone interact. energy: -0.865 local terms energy: -383.897647 where: bonds (distance) C4'-P energy: -115.039 bonds (distance) P-C4' energy: -101.967 flat angles C4'-P-C4' energy: -94.718 flat angles P-C4'-P energy: -55.846 tors. eta vs tors. theta energy: -16.326 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: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -813.452888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.452888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.452888 (E_RNA) where: Base-Base interactions energy: -482.467 where: short stacking energy: -241.269 Base-Backbone interact. energy: -2.003 local terms energy: -328.982690 where: bonds (distance) C4'-P energy: -98.022 bonds (distance) P-C4' energy: -88.837 flat angles C4'-P-C4' energy: -94.145 flat angles P-C4'-P energy: -43.135 tors. eta vs tors. theta energy: -4.844 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: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2266.292465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.292465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.292465 (E_RNA) where: Base-Base interactions energy: -1562.360 where: short stacking energy: -654.554 Base-Backbone interact. energy: -2.052 local terms energy: -701.880040 where: bonds (distance) C4'-P energy: -124.592 bonds (distance) P-C4' energy: -135.263 flat angles C4'-P-C4' energy: -136.695 flat angles P-C4'-P energy: -112.139 tors. eta vs tors. theta energy: -193.191 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: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2165.652883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.652883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.652883 (E_RNA) where: Base-Base interactions energy: -1535.879 where: short stacking energy: -614.565 Base-Backbone interact. energy: -4.386 local terms energy: -625.387429 where: bonds (distance) C4'-P energy: -114.728 bonds (distance) P-C4' energy: -115.839 flat angles C4'-P-C4' energy: -130.331 flat angles P-C4'-P energy: -90.619 tors. eta vs tors. theta energy: -173.871 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: 3, replica: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2061.602327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.602327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.602327 (E_RNA) where: Base-Base interactions energy: -1420.630 where: short stacking energy: -599.664 Base-Backbone interact. energy: -2.467 local terms energy: -638.504838 where: bonds (distance) C4'-P energy: -124.919 bonds (distance) P-C4' energy: -123.130 flat angles C4'-P-C4' energy: -133.891 flat angles P-C4'-P energy: -73.321 tors. eta vs tors. theta energy: -183.243 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: 4, replica: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1931.615130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.615130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.615130 (E_RNA) where: Base-Base interactions energy: -1330.331 where: short stacking energy: -541.016 Base-Backbone interact. energy: -1.969 local terms energy: -599.314558 where: bonds (distance) C4'-P energy: -110.776 bonds (distance) P-C4' energy: -108.012 flat angles C4'-P-C4' energy: -135.538 flat angles P-C4'-P energy: -88.460 tors. eta vs tors. theta energy: -156.529 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: 5, replica: 4 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1853.472457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.472457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.472457 (E_RNA) where: Base-Base interactions energy: -1251.150 where: short stacking energy: -535.897 Base-Backbone interact. energy: -2.311 local terms energy: -600.011454 where: bonds (distance) C4'-P energy: -115.565 bonds (distance) P-C4' energy: -125.191 flat angles C4'-P-C4' energy: -125.640 flat angles P-C4'-P energy: -85.098 tors. eta vs tors. theta energy: -148.517 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: 6, replica: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1525.680983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.680983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.680983 (E_RNA) where: Base-Base interactions energy: -1029.694 where: short stacking energy: -448.841 Base-Backbone interact. energy: -3.552 local terms energy: -492.434741 where: bonds (distance) C4'-P energy: -94.600 bonds (distance) P-C4' energy: -105.425 flat angles C4'-P-C4' energy: -112.731 flat angles P-C4'-P energy: -71.993 tors. eta vs tors. theta energy: -107.686 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: 7, replica: 9 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1426.440642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.440642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.440642 (E_RNA) where: Base-Base interactions energy: -940.658 where: short stacking energy: -434.275 Base-Backbone interact. energy: -3.676 local terms energy: -482.106784 where: bonds (distance) C4'-P energy: -101.462 bonds (distance) P-C4' energy: -113.018 flat angles C4'-P-C4' energy: -109.796 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: -100.076 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: 8, replica: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1096.773808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.773808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.773808 (E_RNA) where: Base-Base interactions energy: -688.742 where: short stacking energy: -305.300 Base-Backbone interact. energy: -3.775 local terms energy: -404.257268 where: bonds (distance) C4'-P energy: -104.309 bonds (distance) P-C4' energy: -91.659 flat angles C4'-P-C4' energy: -101.146 flat angles P-C4'-P energy: -65.144 tors. eta vs tors. theta energy: -41.999 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: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -837.510182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.510182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.510182 (E_RNA) where: Base-Base interactions energy: -459.491 where: short stacking energy: -209.217 Base-Backbone interact. energy: -0.992 local terms energy: -377.027640 where: bonds (distance) C4'-P energy: -109.985 bonds (distance) P-C4' energy: -113.674 flat angles C4'-P-C4' energy: -89.342 flat angles P-C4'-P energy: -60.140 tors. eta vs tors. theta energy: -3.887 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: 10, replica: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -791.083495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.083495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.083495 (E_RNA) where: Base-Base interactions energy: -442.481 where: short stacking energy: -224.593 Base-Backbone interact. energy: -3.508 local terms energy: -345.094765 where: bonds (distance) C4'-P energy: -106.336 bonds (distance) P-C4' energy: -94.974 flat angles C4'-P-C4' energy: -86.170 flat angles P-C4'-P energy: -52.863 tors. eta vs tors. theta energy: -4.752 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: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2261.262251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.262251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.262251 (E_RNA) where: Base-Base interactions energy: -1568.232 where: short stacking energy: -655.928 Base-Backbone interact. energy: -2.980 local terms energy: -690.050012 where: bonds (distance) C4'-P energy: -128.418 bonds (distance) P-C4' energy: -130.248 flat angles C4'-P-C4' energy: -143.924 flat angles P-C4'-P energy: -97.290 tors. eta vs tors. theta energy: -190.169 Dist. restrs. and SS energy: 0.000 (S_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: 321 Temperature: 0.950000 Total energy: -2194.585637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.585637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.585637 (E_RNA) where: Base-Base interactions energy: -1535.918 where: short stacking energy: -619.252 Base-Backbone interact. energy: -5.625 local terms energy: -653.042194 where: bonds (distance) C4'-P energy: -122.337 bonds (distance) P-C4' energy: -125.023 flat angles C4'-P-C4' energy: -148.259 flat angles P-C4'-P energy: -89.675 tors. eta vs tors. theta energy: -167.748 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: 7 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2091.416221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.416221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.416221 (E_RNA) where: Base-Base interactions energy: -1447.850 where: short stacking energy: -624.631 Base-Backbone interact. energy: -1.491 local terms energy: -642.075188 where: bonds (distance) C4'-P energy: -109.936 bonds (distance) P-C4' energy: -114.913 flat angles C4'-P-C4' energy: -139.812 flat angles P-C4'-P energy: -93.230 tors. eta vs tors. theta energy: -184.184 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: 6 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1887.730632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.730632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.730632 (E_RNA) where: Base-Base interactions energy: -1287.338 where: short stacking energy: -507.711 Base-Backbone interact. energy: -2.510 local terms energy: -597.882554 where: bonds (distance) C4'-P energy: -117.077 bonds (distance) P-C4' energy: -132.336 flat angles C4'-P-C4' energy: -126.180 flat angles P-C4'-P energy: -85.147 tors. eta vs tors. theta energy: -137.142 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: 5, replica: 4 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1835.140254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.140254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.140254 (E_RNA) where: Base-Base interactions energy: -1235.835 where: short stacking energy: -554.376 Base-Backbone interact. energy: -0.747 local terms energy: -598.558186 where: bonds (distance) C4'-P energy: -119.641 bonds (distance) P-C4' energy: -114.319 flat angles C4'-P-C4' energy: -127.138 flat angles P-C4'-P energy: -81.113 tors. eta vs tors. theta energy: -156.347 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: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1514.042295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.042295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.042295 (E_RNA) where: Base-Base interactions energy: -999.835 where: short stacking energy: -441.206 Base-Backbone interact. energy: -2.470 local terms energy: -511.737811 where: bonds (distance) C4'-P energy: -105.981 bonds (distance) P-C4' energy: -106.435 flat angles C4'-P-C4' energy: -113.290 flat angles P-C4'-P energy: -82.643 tors. eta vs tors. theta energy: -103.390 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: 7, replica: 9 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1457.383991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.383991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.383991 (E_RNA) where: Base-Base interactions energy: -947.523 where: short stacking energy: -427.237 Base-Backbone interact. energy: -1.615 local terms energy: -508.246707 where: bonds (distance) C4'-P energy: -102.949 bonds (distance) P-C4' energy: -113.790 flat angles C4'-P-C4' energy: -108.951 flat angles P-C4'-P energy: -66.178 tors. eta vs tors. theta energy: -116.378 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: 8, replica: 2 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1066.717323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.717323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.717323 (E_RNA) where: Base-Base interactions energy: -626.165 where: short stacking energy: -305.591 Base-Backbone interact. energy: -1.604 local terms energy: -438.948265 where: bonds (distance) C4'-P energy: -86.366 bonds (distance) P-C4' energy: -115.188 flat angles C4'-P-C4' energy: -99.846 flat angles P-C4'-P energy: -87.497 tors. eta vs tors. theta energy: -50.051 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: 9, replica: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -926.915341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.915341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.915341 (E_RNA) where: Base-Base interactions energy: -527.070 where: short stacking energy: -230.624 Base-Backbone interact. energy: 1.115 local terms energy: -400.959802 where: bonds (distance) C4'-P energy: -98.574 bonds (distance) P-C4' energy: -110.034 flat angles C4'-P-C4' energy: -116.922 flat angles P-C4'-P energy: -51.385 tors. eta vs tors. theta energy: -24.045 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: 10, replica: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -772.002686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.002686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.002686 (E_RNA) where: Base-Base interactions energy: -402.175 where: short stacking energy: -208.993 Base-Backbone interact. energy: -0.786 local terms energy: -369.041532 where: bonds (distance) C4'-P energy: -91.815 bonds (distance) P-C4' energy: -95.895 flat angles C4'-P-C4' energy: -110.820 flat angles P-C4'-P energy: -58.973 tors. eta vs tors. theta energy: -11.538 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: 1, replica: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2252.802890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.802890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.802890 (E_RNA) where: Base-Base interactions energy: -1572.515 where: short stacking energy: -660.537 Base-Backbone interact. energy: -2.369 local terms energy: -677.918611 where: bonds (distance) C4'-P energy: -123.226 bonds (distance) P-C4' energy: -120.129 flat angles C4'-P-C4' energy: -148.932 flat angles P-C4'-P energy: -89.688 tors. eta vs tors. theta energy: -195.943 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: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2161.174719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.174719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.174719 (E_RNA) where: Base-Base interactions energy: -1501.274 where: short stacking energy: -605.408 Base-Backbone interact. energy: -2.487 local terms energy: -657.413706 where: bonds (distance) C4'-P energy: -121.923 bonds (distance) P-C4' energy: -135.928 flat angles C4'-P-C4' energy: -135.787 flat angles P-C4'-P energy: -91.897 tors. eta vs tors. theta energy: -171.879 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: 7 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2072.283667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.283667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.283667 (E_RNA) where: Base-Base interactions energy: -1428.803 where: short stacking energy: -621.138 Base-Backbone interact. energy: -2.464 local terms energy: -641.016295 where: bonds (distance) C4'-P energy: -113.183 bonds (distance) P-C4' energy: -117.466 flat angles C4'-P-C4' energy: -149.666 flat angles P-C4'-P energy: -73.703 tors. eta vs tors. theta energy: -186.998 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: 4, replica: 6 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1881.829123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.829123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.829123 (E_RNA) where: Base-Base interactions energy: -1288.316 where: short stacking energy: -537.184 Base-Backbone interact. energy: -0.503 local terms energy: -593.009990 where: bonds (distance) C4'-P energy: -107.118 bonds (distance) P-C4' energy: -113.173 flat angles C4'-P-C4' energy: -123.744 flat angles P-C4'-P energy: -95.251 tors. eta vs tors. theta energy: -153.724 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: 5, replica: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1866.723538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.723538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.723538 (E_RNA) where: Base-Base interactions energy: -1290.411 where: short stacking energy: -554.325 Base-Backbone interact. energy: -1.507 local terms energy: -574.805708 where: bonds (distance) C4'-P energy: -110.498 bonds (distance) P-C4' energy: -109.138 flat angles C4'-P-C4' energy: -115.597 flat angles P-C4'-P energy: -88.671 tors. eta vs tors. theta energy: -150.902 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: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1526.185135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.185135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.185135 (E_RNA) where: Base-Base interactions energy: -1017.320 where: short stacking energy: -437.622 Base-Backbone interact. energy: -1.427 local terms energy: -507.437683 where: bonds (distance) C4'-P energy: -102.649 bonds (distance) P-C4' energy: -98.187 flat angles C4'-P-C4' energy: -124.570 flat angles P-C4'-P energy: -83.781 tors. eta vs tors. theta energy: -98.251 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: 7, replica: 9 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1456.126915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.126915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.126915 (E_RNA) where: Base-Base interactions energy: -949.548 where: short stacking energy: -417.055 Base-Backbone interact. energy: -1.349 local terms energy: -505.230157 where: bonds (distance) C4'-P energy: -108.874 bonds (distance) P-C4' energy: -93.894 flat angles C4'-P-C4' energy: -119.499 flat angles P-C4'-P energy: -69.758 tors. eta vs tors. theta energy: -113.205 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: 8, replica: 2 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1093.897990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.897990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.897990 (E_RNA) where: Base-Base interactions energy: -659.438 where: short stacking energy: -316.818 Base-Backbone interact. energy: 1.939 local terms energy: -436.398816 where: bonds (distance) C4'-P energy: -99.009 bonds (distance) P-C4' energy: -110.462 flat angles C4'-P-C4' energy: -112.667 flat angles P-C4'-P energy: -56.684 tors. eta vs tors. theta energy: -57.577 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: 9, replica: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -936.730921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.730921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.730921 (E_RNA) where: Base-Base interactions energy: -521.818 where: short stacking energy: -247.331 Base-Backbone interact. energy: -0.824 local terms energy: -414.088585 where: bonds (distance) C4'-P energy: -116.324 bonds (distance) P-C4' energy: -103.638 flat angles C4'-P-C4' energy: -89.278 flat angles P-C4'-P energy: -68.072 tors. eta vs tors. theta energy: -36.776 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: 10, replica: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -771.563242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.563242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.563242 (E_RNA) where: Base-Base interactions energy: -425.771 where: short stacking energy: -205.002 Base-Backbone interact. energy: 2.916 local terms energy: -348.708340 where: bonds (distance) C4'-P energy: -86.416 bonds (distance) P-C4' energy: -116.544 flat angles C4'-P-C4' energy: -79.014 flat angles P-C4'-P energy: -50.011 tors. eta vs tors. theta energy: -16.724 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: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2248.778849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.778849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.778849 (E_RNA) where: Base-Base interactions energy: -1560.979 where: short stacking energy: -652.510 Base-Backbone interact. energy: 1.683 local terms energy: -689.483555 where: bonds (distance) C4'-P energy: -123.340 bonds (distance) P-C4' energy: -124.326 flat angles C4'-P-C4' energy: -152.786 flat angles P-C4'-P energy: -90.853 tors. eta vs tors. theta energy: -198.179 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: 2, replica: 1 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2151.630796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.630796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.630796 (E_RNA) where: Base-Base interactions energy: -1559.767 where: short stacking energy: -621.214 Base-Backbone interact. energy: 7.843 local terms energy: -599.706863 where: bonds (distance) C4'-P energy: -94.101 bonds (distance) P-C4' energy: -122.228 flat angles C4'-P-C4' energy: -126.764 flat angles P-C4'-P energy: -90.288 tors. eta vs tors. theta energy: -166.325 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: 3, replica: 7 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2083.542060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.542060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.542060 (E_RNA) where: Base-Base interactions energy: -1431.780 where: short stacking energy: -611.465 Base-Backbone interact. energy: -2.598 local terms energy: -649.163872 where: bonds (distance) C4'-P energy: -114.347 bonds (distance) P-C4' energy: -118.262 flat angles C4'-P-C4' energy: -129.348 flat angles P-C4'-P energy: -97.125 tors. eta vs tors. theta energy: -190.083 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: 6 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1866.299211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.299211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.299211 (E_RNA) where: Base-Base interactions energy: -1264.451 where: short stacking energy: -559.846 Base-Backbone interact. energy: -2.115 local terms energy: -599.733351 where: bonds (distance) C4'-P energy: -107.966 bonds (distance) P-C4' energy: -128.031 flat angles C4'-P-C4' energy: -119.373 flat angles P-C4'-P energy: -80.520 tors. eta vs tors. theta energy: -163.844 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: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1843.577433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.577433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.577433 (E_RNA) where: Base-Base interactions energy: -1246.093 where: short stacking energy: -530.412 Base-Backbone interact. energy: -0.870 local terms energy: -596.614076 where: bonds (distance) C4'-P energy: -119.132 bonds (distance) P-C4' energy: -113.726 flat angles C4'-P-C4' energy: -122.424 flat angles P-C4'-P energy: -91.892 tors. eta vs tors. theta energy: -149.441 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: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1514.324133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.324133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.324133 (E_RNA) where: Base-Base interactions energy: -981.529 where: short stacking energy: -440.810 Base-Backbone interact. energy: -2.441 local terms energy: -530.353511 where: bonds (distance) C4'-P energy: -113.360 bonds (distance) P-C4' energy: -125.173 flat angles C4'-P-C4' energy: -106.308 flat angles P-C4'-P energy: -84.340 tors. eta vs tors. theta energy: -101.173 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: 7, replica: 9 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1438.327236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.327236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.327236 (E_RNA) where: Base-Base interactions energy: -930.091 where: short stacking energy: -439.653 Base-Backbone interact. energy: -2.563 local terms energy: -505.673165 where: bonds (distance) C4'-P energy: -104.728 bonds (distance) P-C4' energy: -99.585 flat angles C4'-P-C4' energy: -122.782 flat angles P-C4'-P energy: -70.426 tors. eta vs tors. theta energy: -108.152 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: 8, replica: 2 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1154.541128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.541128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.541128 (E_RNA) where: Base-Base interactions energy: -721.281 where: short stacking energy: -323.307 Base-Backbone interact. energy: 1.680 local terms energy: -434.939637 where: bonds (distance) C4'-P energy: -95.670 bonds (distance) P-C4' energy: -121.712 flat angles C4'-P-C4' energy: -88.658 flat angles P-C4'-P energy: -81.999 tors. eta vs tors. theta energy: -46.900 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: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -895.696479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.696479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.696479 (E_RNA) where: Base-Base interactions energy: -491.819 where: short stacking energy: -241.667 Base-Backbone interact. energy: -3.046 local terms energy: -400.831520 where: bonds (distance) C4'-P energy: -108.789 bonds (distance) P-C4' energy: -98.557 flat angles C4'-P-C4' energy: -106.918 flat angles P-C4'-P energy: -52.105 tors. eta vs tors. theta energy: -34.463 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: 10, replica: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -813.395630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.395630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.395630 (E_RNA) where: Base-Base interactions energy: -469.647 where: short stacking energy: -237.820 Base-Backbone interact. energy: -2.168 local terms energy: -341.581038 where: bonds (distance) C4'-P energy: -95.641 bonds (distance) P-C4' energy: -83.050 flat angles C4'-P-C4' energy: -90.243 flat angles P-C4'-P energy: -56.527 tors. eta vs tors. theta energy: -16.120 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: 1, replica: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2242.255813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.255813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.255813 (E_RNA) where: Base-Base interactions energy: -1583.870 where: short stacking energy: -673.793 Base-Backbone interact. energy: -5.761 local terms energy: -652.625536 where: bonds (distance) C4'-P energy: -110.532 bonds (distance) P-C4' energy: -127.629 flat angles C4'-P-C4' energy: -140.456 flat angles P-C4'-P energy: -93.168 tors. eta vs tors. theta energy: -180.840 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: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2152.391498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.391498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.391498 (E_RNA) where: Base-Base interactions energy: -1518.420 where: short stacking energy: -601.299 Base-Backbone interact. energy: -1.640 local terms energy: -632.330823 where: bonds (distance) C4'-P energy: -107.133 bonds (distance) P-C4' energy: -121.796 flat angles C4'-P-C4' energy: -144.943 flat angles P-C4'-P energy: -84.785 tors. eta vs tors. theta energy: -173.675 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: 3, replica: 7 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2114.415362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.415362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.415362 (E_RNA) where: Base-Base interactions energy: -1445.754 where: short stacking energy: -634.256 Base-Backbone interact. energy: -1.169 local terms energy: -667.492328 where: bonds (distance) C4'-P energy: -115.102 bonds (distance) P-C4' energy: -132.421 flat angles C4'-P-C4' energy: -137.345 flat angles P-C4'-P energy: -88.048 tors. eta vs tors. theta energy: -194.577 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: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1875.723250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.723250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.723250 (E_RNA) where: Base-Base interactions energy: -1276.068 where: short stacking energy: -554.294 Base-Backbone interact. energy: -2.392 local terms energy: -597.263364 where: bonds (distance) C4'-P energy: -107.985 bonds (distance) P-C4' energy: -112.376 flat angles C4'-P-C4' energy: -126.446 flat angles P-C4'-P energy: -88.176 tors. eta vs tors. theta energy: -162.280 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: 5, replica: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1870.607097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.607097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.607097 (E_RNA) where: Base-Base interactions energy: -1290.051 where: short stacking energy: -566.494 Base-Backbone interact. energy: -0.223 local terms energy: -580.332970 where: bonds (distance) C4'-P energy: -98.191 bonds (distance) P-C4' energy: -118.653 flat angles C4'-P-C4' energy: -118.231 flat angles P-C4'-P energy: -76.170 tors. eta vs tors. theta energy: -169.088 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: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1523.430498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.430498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.430498 (E_RNA) where: Base-Base interactions energy: -1024.914 where: short stacking energy: -450.781 Base-Backbone interact. energy: 5.409 local terms energy: -503.925840 where: bonds (distance) C4'-P energy: -103.469 bonds (distance) P-C4' energy: -100.619 flat angles C4'-P-C4' energy: -120.108 flat angles P-C4'-P energy: -64.930 tors. eta vs tors. theta energy: -114.800 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: 7, replica: 9 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1417.292855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.292855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.292855 (E_RNA) where: Base-Base interactions energy: -907.547 where: short stacking energy: -418.429 Base-Backbone interact. energy: 1.471 local terms energy: -511.216988 where: bonds (distance) C4'-P energy: -98.742 bonds (distance) P-C4' energy: -117.405 flat angles C4'-P-C4' energy: -125.863 flat angles P-C4'-P energy: -66.842 tors. eta vs tors. theta energy: -102.366 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: 8, replica: 2 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1150.304316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.304316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.304316 (E_RNA) where: Base-Base interactions energy: -731.826 where: short stacking energy: -339.752 Base-Backbone interact. energy: -1.832 local terms energy: -416.645653 where: bonds (distance) C4'-P energy: -105.852 bonds (distance) P-C4' energy: -97.664 flat angles C4'-P-C4' energy: -96.646 flat angles P-C4'-P energy: -74.798 tors. eta vs tors. theta energy: -41.685 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: 5 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -911.802577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.802577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.802577 (E_RNA) where: Base-Base interactions energy: -521.543 where: short stacking energy: -291.276 Base-Backbone interact. energy: -1.758 local terms energy: -388.501926 where: bonds (distance) C4'-P energy: -84.158 bonds (distance) P-C4' energy: -97.827 flat angles C4'-P-C4' energy: -98.402 flat angles P-C4'-P energy: -61.874 tors. eta vs tors. theta energy: -46.242 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: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -809.239820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.239820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.239820 (E_RNA) where: Base-Base interactions energy: -492.060 where: short stacking energy: -262.552 Base-Backbone interact. energy: -2.759 local terms energy: -314.420517 where: bonds (distance) C4'-P energy: -77.489 bonds (distance) P-C4' energy: -90.266 flat angles C4'-P-C4' energy: -79.019 flat angles P-C4'-P energy: -44.637 tors. eta vs tors. theta energy: -23.010 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: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2251.710273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.710273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.710273 (E_RNA) where: Base-Base interactions energy: -1574.375 where: short stacking energy: -642.450 Base-Backbone interact. energy: -4.410 local terms energy: -672.925389 where: bonds (distance) C4'-P energy: -127.364 bonds (distance) P-C4' energy: -115.218 flat angles C4'-P-C4' energy: -137.365 flat angles P-C4'-P energy: -98.398 tors. eta vs tors. theta energy: -194.580 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: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2188.922011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.922011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.922011 (E_RNA) where: Base-Base interactions energy: -1545.446 where: short stacking energy: -624.904 Base-Backbone interact. energy: -5.571 local terms energy: -637.904791 where: bonds (distance) C4'-P energy: -123.884 bonds (distance) P-C4' energy: -119.949 flat angles C4'-P-C4' energy: -141.878 flat angles P-C4'-P energy: -86.144 tors. eta vs tors. theta energy: -166.050 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: 3, replica: 7 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2089.771705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.771705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.771705 (E_RNA) where: Base-Base interactions energy: -1441.460 where: short stacking energy: -622.088 Base-Backbone interact. energy: 2.211 local terms energy: -650.522942 where: bonds (distance) C4'-P energy: -118.248 bonds (distance) P-C4' energy: -119.476 flat angles C4'-P-C4' energy: -140.210 flat angles P-C4'-P energy: -81.336 tors. eta vs tors. theta energy: -191.253 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: 6 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1866.173170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.173170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.173170 (E_RNA) where: Base-Base interactions energy: -1258.775 where: short stacking energy: -539.755 Base-Backbone interact. energy: -2.743 local terms energy: -604.655563 where: bonds (distance) C4'-P energy: -119.932 bonds (distance) P-C4' energy: -119.324 flat angles C4'-P-C4' energy: -125.836 flat angles P-C4'-P energy: -89.810 tors. eta vs tors. theta energy: -149.754 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: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1843.604137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.604137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.604137 (E_RNA) where: Base-Base interactions energy: -1254.381 where: short stacking energy: -524.778 Base-Backbone interact. energy: -1.797 local terms energy: -587.426115 where: bonds (distance) C4'-P energy: -108.895 bonds (distance) P-C4' energy: -122.905 flat angles C4'-P-C4' energy: -120.849 flat angles P-C4'-P energy: -82.185 tors. eta vs tors. theta energy: -152.592 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: 6, replica: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1498.327596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.327596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.327596 (E_RNA) where: Base-Base interactions energy: -973.835 where: short stacking energy: -422.843 Base-Backbone interact. energy: -3.348 local terms energy: -521.144108 where: bonds (distance) C4'-P energy: -119.250 bonds (distance) P-C4' energy: -112.063 flat angles C4'-P-C4' energy: -108.389 flat angles P-C4'-P energy: -80.297 tors. eta vs tors. theta energy: -101.145 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: 9 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1427.946564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.946564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.946564 (E_RNA) where: Base-Base interactions energy: -932.130 where: short stacking energy: -427.154 Base-Backbone interact. energy: 2.684 local terms energy: -498.500526 where: bonds (distance) C4'-P energy: -106.007 bonds (distance) P-C4' energy: -117.788 flat angles C4'-P-C4' energy: -113.247 flat angles P-C4'-P energy: -63.844 tors. eta vs tors. theta energy: -97.615 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: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1183.909894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.909894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.909894 (E_RNA) where: Base-Base interactions energy: -741.265 where: short stacking energy: -359.919 Base-Backbone interact. energy: 3.443 local terms energy: -446.087839 where: bonds (distance) C4'-P energy: -101.723 bonds (distance) P-C4' energy: -114.750 flat angles C4'-P-C4' energy: -103.755 flat angles P-C4'-P energy: -57.179 tors. eta vs tors. theta energy: -68.680 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: 9, replica: 5 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -888.951703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.951703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.951703 (E_RNA) where: Base-Base interactions energy: -485.621 where: short stacking energy: -238.554 Base-Backbone interact. energy: -1.613 local terms energy: -401.717720 where: bonds (distance) C4'-P energy: -102.747 bonds (distance) P-C4' energy: -119.004 flat angles C4'-P-C4' energy: -95.328 flat angles P-C4'-P energy: -48.605 tors. eta vs tors. theta energy: -36.034 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: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -782.858002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.858002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.858002 (E_RNA) where: Base-Base interactions energy: -434.882 where: short stacking energy: -193.390 Base-Backbone interact. energy: 3.852 local terms energy: -351.827872 where: bonds (distance) C4'-P energy: -105.424 bonds (distance) P-C4' energy: -101.520 flat angles C4'-P-C4' energy: -85.347 flat angles P-C4'-P energy: -57.644 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: 1, replica: 10 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2254.082772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.082772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.082772 (E_RNA) where: Base-Base interactions energy: -1569.200 where: short stacking energy: -660.510 Base-Backbone interact. energy: -5.013 local terms energy: -679.870117 where: bonds (distance) C4'-P energy: -104.714 bonds (distance) P-C4' energy: -140.330 flat angles C4'-P-C4' energy: -145.245 flat angles P-C4'-P energy: -84.570 tors. eta vs tors. theta energy: -205.012 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: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2140.630851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.630851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.630851 (E_RNA) where: Base-Base interactions energy: -1516.143 where: short stacking energy: -604.739 Base-Backbone interact. energy: -5.375 local terms energy: -619.112859 where: bonds (distance) C4'-P energy: -116.646 bonds (distance) P-C4' energy: -118.326 flat angles C4'-P-C4' energy: -127.856 flat angles P-C4'-P energy: -87.257 tors. eta vs tors. theta energy: -169.028 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: 7 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2106.821388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.821388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.821388 (E_RNA) where: Base-Base interactions energy: -1430.495 where: short stacking energy: -640.137 Base-Backbone interact. energy: -0.900 local terms energy: -675.426803 where: bonds (distance) C4'-P energy: -126.504 bonds (distance) P-C4' energy: -130.411 flat angles C4'-P-C4' energy: -135.798 flat angles P-C4'-P energy: -89.318 tors. eta vs tors. theta energy: -193.396 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: 6 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1848.046316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.046316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.046316 (E_RNA) where: Base-Base interactions energy: -1261.683 where: short stacking energy: -532.862 Base-Backbone interact. energy: -0.416 local terms energy: -585.947795 where: bonds (distance) C4'-P energy: -113.096 bonds (distance) P-C4' energy: -105.077 flat angles C4'-P-C4' energy: -121.374 flat angles P-C4'-P energy: -90.666 tors. eta vs tors. theta energy: -155.734 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: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1823.769718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.769718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.769718 (E_RNA) where: Base-Base interactions energy: -1245.324 where: short stacking energy: -538.039 Base-Backbone interact. energy: -4.270 local terms energy: -574.176081 where: bonds (distance) C4'-P energy: -100.632 bonds (distance) P-C4' energy: -87.735 flat angles C4'-P-C4' energy: -136.129 flat angles P-C4'-P energy: -89.591 tors. eta vs tors. theta energy: -160.089 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: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1534.398872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.398872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.398872 (E_RNA) where: Base-Base interactions energy: -997.514 where: short stacking energy: -463.678 Base-Backbone interact. energy: 1.758 local terms energy: -538.643685 where: bonds (distance) C4'-P energy: -109.874 bonds (distance) P-C4' energy: -118.479 flat angles C4'-P-C4' energy: -115.097 flat angles P-C4'-P energy: -71.786 tors. eta vs tors. theta energy: -123.408 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: 7, replica: 9 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1431.951647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.951647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.951647 (E_RNA) where: Base-Base interactions energy: -967.110 where: short stacking energy: -416.644 Base-Backbone interact. energy: 0.869 local terms energy: -465.710458 where: bonds (distance) C4'-P energy: -102.014 bonds (distance) P-C4' energy: -103.292 flat angles C4'-P-C4' energy: -106.277 flat angles P-C4'-P energy: -59.668 tors. eta vs tors. theta energy: -94.460 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: 8, replica: 2 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1188.268487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.268487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.268487 (E_RNA) where: Base-Base interactions energy: -745.252 where: short stacking energy: -349.098 Base-Backbone interact. energy: 6.741 local terms energy: -449.757491 where: bonds (distance) C4'-P energy: -97.772 bonds (distance) P-C4' energy: -107.585 flat angles C4'-P-C4' energy: -117.310 flat angles P-C4'-P energy: -61.518 tors. eta vs tors. theta energy: -65.572 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: 9, replica: 5 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -857.848375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.848375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.848375 (E_RNA) where: Base-Base interactions energy: -495.680 where: short stacking energy: -257.192 Base-Backbone interact. energy: 0.676 local terms energy: -362.844193 where: bonds (distance) C4'-P energy: -113.179 bonds (distance) P-C4' energy: -95.374 flat angles C4'-P-C4' energy: -86.155 flat angles P-C4'-P energy: -39.283 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: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -802.814107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.814107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.814107 (E_RNA) where: Base-Base interactions energy: -434.202 where: short stacking energy: -215.955 Base-Backbone interact. energy: 3.653 local terms energy: -372.265662 where: bonds (distance) C4'-P energy: -99.052 bonds (distance) P-C4' energy: -109.044 flat angles C4'-P-C4' energy: -91.237 flat angles P-C4'-P energy: -48.404 tors. eta vs tors. theta energy: -24.529 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: 1, replica: 10 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2245.283887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.283887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.283887 (E_RNA) where: Base-Base interactions energy: -1573.604 where: short stacking energy: -661.521 Base-Backbone interact. energy: -3.774 local terms energy: -667.905348 where: bonds (distance) C4'-P energy: -113.369 bonds (distance) P-C4' energy: -118.973 flat angles C4'-P-C4' energy: -135.878 flat angles P-C4'-P energy: -99.021 tors. eta vs tors. theta energy: -200.665 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: 7 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2140.100129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.100129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.100129 (E_RNA) where: Base-Base interactions energy: -1474.054 where: short stacking energy: -635.309 Base-Backbone interact. energy: -3.947 local terms energy: -662.098690 where: bonds (distance) C4'-P energy: -126.821 bonds (distance) P-C4' energy: -115.463 flat angles C4'-P-C4' energy: -142.401 flat angles P-C4'-P energy: -92.059 tors. eta vs tors. theta energy: -185.355 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: 3, replica: 1 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2095.072382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.072382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.072382 (E_RNA) where: Base-Base interactions energy: -1459.411 where: short stacking energy: -610.654 Base-Backbone interact. energy: -4.096 local terms energy: -631.564686 where: bonds (distance) C4'-P energy: -101.751 bonds (distance) P-C4' energy: -130.156 flat angles C4'-P-C4' energy: -136.828 flat angles P-C4'-P energy: -101.857 tors. eta vs tors. theta energy: -160.973 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: 4, replica: 6 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1875.962681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.962681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.962681 (E_RNA) where: Base-Base interactions energy: -1261.537 where: short stacking energy: -539.688 Base-Backbone interact. energy: -0.565 local terms energy: -613.860770 where: bonds (distance) C4'-P energy: -118.005 bonds (distance) P-C4' energy: -109.350 flat angles C4'-P-C4' energy: -133.291 flat angles P-C4'-P energy: -90.190 tors. eta vs tors. theta energy: -163.025 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: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1845.618839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.618839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.618839 (E_RNA) where: Base-Base interactions energy: -1264.235 where: short stacking energy: -553.575 Base-Backbone interact. energy: 3.203 local terms energy: -584.587114 where: bonds (distance) C4'-P energy: -98.478 bonds (distance) P-C4' energy: -107.543 flat angles C4'-P-C4' energy: -132.758 flat angles P-C4'-P energy: -88.856 tors. eta vs tors. theta energy: -156.951 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: 6, replica: 9 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1480.671896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.671896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.671896 (E_RNA) where: Base-Base interactions energy: -967.699 where: short stacking energy: -429.075 Base-Backbone interact. energy: 0.768 local terms energy: -513.740138 where: bonds (distance) C4'-P energy: -113.081 bonds (distance) P-C4' energy: -91.671 flat angles C4'-P-C4' energy: -129.404 flat angles P-C4'-P energy: -66.501 tors. eta vs tors. theta energy: -113.082 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: 7, replica: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1529.072371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.072371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.072371 (E_RNA) where: Base-Base interactions energy: -1002.654 where: short stacking energy: -443.761 Base-Backbone interact. energy: 3.287 local terms energy: -529.704998 where: bonds (distance) C4'-P energy: -95.837 bonds (distance) P-C4' energy: -108.786 flat angles C4'-P-C4' energy: -120.771 flat angles P-C4'-P energy: -87.409 tors. eta vs tors. theta energy: -116.903 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: 8, replica: 2 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1142.463837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.463837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.463837 (E_RNA) where: Base-Base interactions energy: -720.039 where: short stacking energy: -325.175 Base-Backbone interact. energy: -2.874 local terms energy: -419.550260 where: bonds (distance) C4'-P energy: -106.287 bonds (distance) P-C4' energy: -121.408 flat angles C4'-P-C4' energy: -95.929 flat angles P-C4'-P energy: -47.628 tors. eta vs tors. theta energy: -48.297 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: 9, replica: 5 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -879.377979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.377979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.377979 (E_RNA) where: Base-Base interactions energy: -514.995 where: short stacking energy: -253.768 Base-Backbone interact. energy: 1.641 local terms energy: -366.023448 where: bonds (distance) C4'-P energy: -90.700 bonds (distance) P-C4' energy: -92.621 flat angles C4'-P-C4' energy: -101.785 flat angles P-C4'-P energy: -57.474 tors. eta vs tors. theta energy: -23.444 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: 10, replica: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -808.268816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.268816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.268816 (E_RNA) where: Base-Base interactions energy: -442.904 where: short stacking energy: -200.475 Base-Backbone interact. energy: 4.384 local terms energy: -369.749128 where: bonds (distance) C4'-P energy: -111.458 bonds (distance) P-C4' energy: -107.518 flat angles C4'-P-C4' energy: -82.151 flat angles P-C4'-P energy: -63.773 tors. eta vs tors. theta energy: -4.849 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: 328 Temperature: 0.900000 Total energy: -2249.262722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.262722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.262722 (E_RNA) where: Base-Base interactions energy: -1567.563 where: short stacking energy: -651.057 Base-Backbone interact. energy: -6.624 local terms energy: -675.075732 where: bonds (distance) C4'-P energy: -106.898 bonds (distance) P-C4' energy: -128.682 flat angles C4'-P-C4' energy: -136.483 flat angles P-C4'-P energy: -102.056 tors. eta vs tors. theta energy: -200.957 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: 2, replica: 7 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2149.884613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.884613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.884613 (E_RNA) where: Base-Base interactions energy: -1482.283 where: short stacking energy: -647.445 Base-Backbone interact. energy: -3.706 local terms energy: -663.895913 where: bonds (distance) C4'-P energy: -131.171 bonds (distance) P-C4' energy: -118.487 flat angles C4'-P-C4' energy: -126.505 flat angles P-C4'-P energy: -98.594 tors. eta vs tors. theta energy: -189.139 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: 3, replica: 1 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2086.104318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.104318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.104318 (E_RNA) where: Base-Base interactions energy: -1481.461 where: short stacking energy: -586.671 Base-Backbone interact. energy: -1.903 local terms energy: -602.739433 where: bonds (distance) C4'-P energy: -107.640 bonds (distance) P-C4' energy: -110.302 flat angles C4'-P-C4' energy: -136.888 flat angles P-C4'-P energy: -88.113 tors. eta vs tors. theta energy: -159.797 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: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1906.337555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.337555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.337555 (E_RNA) where: Base-Base interactions energy: -1295.967 where: short stacking energy: -557.426 Base-Backbone interact. energy: -1.375 local terms energy: -608.996395 where: bonds (distance) C4'-P energy: -119.101 bonds (distance) P-C4' energy: -120.267 flat angles C4'-P-C4' energy: -134.914 flat angles P-C4'-P energy: -70.978 tors. eta vs tors. theta energy: -163.736 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: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1911.651126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.651126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.651126 (E_RNA) where: Base-Base interactions energy: -1304.401 where: short stacking energy: -576.991 Base-Backbone interact. energy: -1.568 local terms energy: -605.682610 where: bonds (distance) C4'-P energy: -115.162 bonds (distance) P-C4' energy: -103.223 flat angles C4'-P-C4' energy: -129.231 flat angles P-C4'-P energy: -77.045 tors. eta vs tors. theta energy: -181.021 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: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1500.356732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.356732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.356732 (E_RNA) where: Base-Base interactions energy: -998.040 where: short stacking energy: -453.273 Base-Backbone interact. energy: -1.418 local terms energy: -500.898887 where: bonds (distance) C4'-P energy: -94.787 bonds (distance) P-C4' energy: -106.113 flat angles C4'-P-C4' energy: -101.918 flat angles P-C4'-P energy: -75.820 tors. eta vs tors. theta energy: -122.260 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: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1475.758107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.758107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.758107 (E_RNA) where: Base-Base interactions energy: -964.717 where: short stacking energy: -426.877 Base-Backbone interact. energy: 4.197 local terms energy: -515.237763 where: bonds (distance) C4'-P energy: -101.470 bonds (distance) P-C4' energy: -113.889 flat angles C4'-P-C4' energy: -116.143 flat angles P-C4'-P energy: -83.475 tors. eta vs tors. theta energy: -100.262 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: 8, replica: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1127.484605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.484605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.484605 (E_RNA) where: Base-Base interactions energy: -698.255 where: short stacking energy: -309.088 Base-Backbone interact. energy: -0.136 local terms energy: -429.094024 where: bonds (distance) C4'-P energy: -97.245 bonds (distance) P-C4' energy: -111.435 flat angles C4'-P-C4' energy: -98.480 flat angles P-C4'-P energy: -69.978 tors. eta vs tors. theta energy: -51.956 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: 9, replica: 3 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -926.771115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.771115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.771115 (E_RNA) where: Base-Base interactions energy: -548.749 where: short stacking energy: -263.898 Base-Backbone interact. energy: -1.359 local terms energy: -376.663686 where: bonds (distance) C4'-P energy: -94.726 bonds (distance) P-C4' energy: -96.701 flat angles C4'-P-C4' energy: -91.617 flat angles P-C4'-P energy: -71.595 tors. eta vs tors. theta energy: -22.025 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: 10, replica: 5 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -909.576982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.576982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.576982 (E_RNA) where: Base-Base interactions energy: -517.650 where: short stacking energy: -247.317 Base-Backbone interact. energy: 5.365 local terms energy: -397.291192 where: bonds (distance) C4'-P energy: -107.050 bonds (distance) P-C4' energy: -109.083 flat angles C4'-P-C4' energy: -98.710 flat angles P-C4'-P energy: -62.994 tors. eta vs tors. theta energy: -19.454 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: 1, replica: 10 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2239.011789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.011789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.011789 (E_RNA) where: Base-Base interactions energy: -1566.480 where: short stacking energy: -652.451 Base-Backbone interact. energy: -2.748 local terms energy: -669.784017 where: bonds (distance) C4'-P energy: -118.337 bonds (distance) P-C4' energy: -123.898 flat angles C4'-P-C4' energy: -145.962 flat angles P-C4'-P energy: -95.086 tors. eta vs tors. theta energy: -186.501 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: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2132.728151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.728151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.728151 (E_RNA) where: Base-Base interactions energy: -1503.605 where: short stacking energy: -621.353 Base-Backbone interact. energy: -4.258 local terms energy: -624.864480 where: bonds (distance) C4'-P energy: -118.167 bonds (distance) P-C4' energy: -117.547 flat angles C4'-P-C4' energy: -134.980 flat angles P-C4'-P energy: -99.662 tors. eta vs tors. theta energy: -154.508 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: 7 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2102.445010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.445010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.445010 (E_RNA) where: Base-Base interactions energy: -1461.291 where: short stacking energy: -643.791 Base-Backbone interact. energy: -1.554 local terms energy: -639.599976 where: bonds (distance) C4'-P energy: -107.239 bonds (distance) P-C4' energy: -104.812 flat angles C4'-P-C4' energy: -132.410 flat angles P-C4'-P energy: -89.280 tors. eta vs tors. theta energy: -205.858 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: 4 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1925.157140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.157140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.157140 (E_RNA) where: Base-Base interactions energy: -1334.701 where: short stacking energy: -561.675 Base-Backbone interact. energy: -0.378 local terms energy: -590.078370 where: bonds (distance) C4'-P energy: -98.599 bonds (distance) P-C4' energy: -110.450 flat angles C4'-P-C4' energy: -130.638 flat angles P-C4'-P energy: -88.776 tors. eta vs tors. theta energy: -161.616 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: 5, replica: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1845.952168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.952168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.952168 (E_RNA) where: Base-Base interactions energy: -1270.050 where: short stacking energy: -542.262 Base-Backbone interact. energy: -0.664 local terms energy: -575.237588 where: bonds (distance) C4'-P energy: -97.807 bonds (distance) P-C4' energy: -113.500 flat angles C4'-P-C4' energy: -106.556 flat angles P-C4'-P energy: -95.930 tors. eta vs tors. theta energy: -161.445 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: 6, replica: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1533.330714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.330714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.330714 (E_RNA) where: Base-Base interactions energy: -991.425 where: short stacking energy: -428.307 Base-Backbone interact. energy: -0.210 local terms energy: -541.696173 where: bonds (distance) C4'-P energy: -106.994 bonds (distance) P-C4' energy: -111.632 flat angles C4'-P-C4' energy: -124.152 flat angles P-C4'-P energy: -77.199 tors. eta vs tors. theta energy: -121.719 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: 7, replica: 9 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1463.837838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.837838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.837838 (E_RNA) where: Base-Base interactions energy: -970.841 where: short stacking energy: -427.189 Base-Backbone interact. energy: -2.106 local terms energy: -490.890351 where: bonds (distance) C4'-P energy: -102.943 bonds (distance) P-C4' energy: -112.861 flat angles C4'-P-C4' energy: -112.802 flat angles P-C4'-P energy: -56.002 tors. eta vs tors. theta energy: -106.282 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: 8, replica: 2 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1073.249187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.249187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.249187 (E_RNA) where: Base-Base interactions energy: -631.826 where: short stacking energy: -292.728 Base-Backbone interact. energy: -3.914 local terms energy: -437.510125 where: bonds (distance) C4'-P energy: -99.632 bonds (distance) P-C4' energy: -123.980 flat angles C4'-P-C4' energy: -97.320 flat angles P-C4'-P energy: -75.479 tors. eta vs tors. theta energy: -41.099 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: 9, replica: 3 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -901.658527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.658527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.658527 (E_RNA) where: Base-Base interactions energy: -497.646 where: short stacking energy: -255.677 Base-Backbone interact. energy: 2.004 local terms energy: -406.016748 where: bonds (distance) C4'-P energy: -100.735 bonds (distance) P-C4' energy: -106.883 flat angles C4'-P-C4' energy: -97.321 flat angles P-C4'-P energy: -75.078 tors. eta vs tors. theta energy: -26.000 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: 10, replica: 5 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -805.437112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.437112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.437112 (E_RNA) where: Base-Base interactions energy: -466.288 where: short stacking energy: -217.625 Base-Backbone interact. energy: 4.235 local terms energy: -343.383752 where: bonds (distance) C4'-P energy: -90.394 bonds (distance) P-C4' energy: -98.203 flat angles C4'-P-C4' energy: -89.324 flat angles P-C4'-P energy: -46.559 tors. eta vs tors. theta energy: -18.904 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: 1, replica: 10 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2241.865716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.865716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.865716 (E_RNA) where: Base-Base interactions energy: -1555.987 where: short stacking energy: -630.160 Base-Backbone interact. energy: -2.228 local terms energy: -683.650144 where: bonds (distance) C4'-P energy: -114.689 bonds (distance) P-C4' energy: -131.466 flat angles C4'-P-C4' energy: -146.843 flat angles P-C4'-P energy: -97.064 tors. eta vs tors. theta energy: -193.587 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: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2159.509408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.509408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.509408 (E_RNA) where: Base-Base interactions energy: -1520.251 where: short stacking energy: -601.700 Base-Backbone interact. energy: -3.405 local terms energy: -635.853342 where: bonds (distance) C4'-P energy: -122.184 bonds (distance) P-C4' energy: -112.844 flat angles C4'-P-C4' energy: -140.461 flat angles P-C4'-P energy: -90.797 tors. eta vs tors. theta energy: -169.567 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: 7 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2131.171427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.171427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.171427 (E_RNA) where: Base-Base interactions energy: -1483.692 where: short stacking energy: -645.340 Base-Backbone interact. energy: -1.920 local terms energy: -645.558903 where: bonds (distance) C4'-P energy: -96.097 bonds (distance) P-C4' energy: -114.186 flat angles C4'-P-C4' energy: -146.122 flat angles P-C4'-P energy: -94.694 tors. eta vs tors. theta energy: -194.461 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: 4 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1900.155331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.155331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.155331 (E_RNA) where: Base-Base interactions energy: -1303.836 where: short stacking energy: -554.113 Base-Backbone interact. energy: -3.608 local terms energy: -592.711571 where: bonds (distance) C4'-P energy: -108.992 bonds (distance) P-C4' energy: -121.462 flat angles C4'-P-C4' energy: -127.577 flat angles P-C4'-P energy: -72.776 tors. eta vs tors. theta energy: -161.904 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: 5, replica: 6 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1841.647180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.647180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.647180 (E_RNA) where: Base-Base interactions energy: -1260.008 where: short stacking energy: -545.215 Base-Backbone interact. energy: -1.913 local terms energy: -579.725728 where: bonds (distance) C4'-P energy: -103.223 bonds (distance) P-C4' energy: -109.480 flat angles C4'-P-C4' energy: -123.430 flat angles P-C4'-P energy: -88.970 tors. eta vs tors. theta energy: -154.623 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: 6, replica: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1622.407077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.407077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.407077 (E_RNA) where: Base-Base interactions energy: -1058.673 where: short stacking energy: -465.590 Base-Backbone interact. energy: -2.776 local terms energy: -560.958310 where: bonds (distance) C4'-P energy: -110.783 bonds (distance) P-C4' energy: -109.023 flat angles C4'-P-C4' energy: -124.929 flat angles P-C4'-P energy: -74.441 tors. eta vs tors. theta energy: -141.782 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: 7, replica: 9 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1371.009885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.009885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.009885 (E_RNA) where: Base-Base interactions energy: -868.745 where: short stacking energy: -430.290 Base-Backbone interact. energy: 0.671 local terms energy: -502.935997 where: bonds (distance) C4'-P energy: -93.937 bonds (distance) P-C4' energy: -118.497 flat angles C4'-P-C4' energy: -104.219 flat angles P-C4'-P energy: -71.529 tors. eta vs tors. theta energy: -114.754 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: 2 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1095.394721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.394721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.394721 (E_RNA) where: Base-Base interactions energy: -683.882 where: short stacking energy: -344.482 Base-Backbone interact. energy: 2.268 local terms energy: -413.780756 where: bonds (distance) C4'-P energy: -87.846 bonds (distance) P-C4' energy: -84.648 flat angles C4'-P-C4' energy: -99.191 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -69.353 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: 3 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -888.013887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.013887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.013887 (E_RNA) where: Base-Base interactions energy: -519.308 where: short stacking energy: -272.827 Base-Backbone interact. energy: -1.923 local terms energy: -366.782971 where: bonds (distance) C4'-P energy: -94.097 bonds (distance) P-C4' energy: -103.613 flat angles C4'-P-C4' energy: -98.512 flat angles P-C4'-P energy: -48.194 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: 10, replica: 5 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -800.868234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.868234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.868234 (E_RNA) where: Base-Base interactions energy: -452.986 where: short stacking energy: -234.554 Base-Backbone interact. energy: 2.328 local terms energy: -350.211069 where: bonds (distance) C4'-P energy: -92.680 bonds (distance) P-C4' energy: -103.874 flat angles C4'-P-C4' energy: -89.443 flat angles P-C4'-P energy: -46.117 tors. eta vs tors. theta energy: -18.098 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: 1, replica: 10 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2274.440192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.440192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.440192 (E_RNA) where: Base-Base interactions energy: -1588.867 where: short stacking energy: -646.720 Base-Backbone interact. energy: -3.699 local terms energy: -681.873654 where: bonds (distance) C4'-P energy: -124.761 bonds (distance) P-C4' energy: -131.234 flat angles C4'-P-C4' energy: -137.979 flat angles P-C4'-P energy: -88.569 tors. eta vs tors. theta energy: -199.331 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: 2, replica: 7 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2152.466854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.466854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.466854 (E_RNA) where: Base-Base interactions energy: -1485.827 where: short stacking energy: -638.995 Base-Backbone interact. energy: -1.464 local terms energy: -665.175693 where: bonds (distance) C4'-P energy: -113.105 bonds (distance) P-C4' energy: -124.298 flat angles C4'-P-C4' energy: -134.679 flat angles P-C4'-P energy: -100.808 tors. eta vs tors. theta energy: -192.286 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: 3, replica: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2104.988784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.988784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.988784 (E_RNA) where: Base-Base interactions energy: -1470.782 where: short stacking energy: -587.568 Base-Backbone interact. energy: -6.401 local terms energy: -627.805869 where: bonds (distance) C4'-P energy: -114.879 bonds (distance) P-C4' energy: -134.412 flat angles C4'-P-C4' energy: -138.171 flat angles P-C4'-P energy: -85.172 tors. eta vs tors. theta energy: -155.171 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: 4 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1924.564842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.564842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.564842 (E_RNA) where: Base-Base interactions energy: -1314.874 where: short stacking energy: -557.902 Base-Backbone interact. energy: -4.665 local terms energy: -605.026293 where: bonds (distance) C4'-P energy: -99.637 bonds (distance) P-C4' energy: -121.712 flat angles C4'-P-C4' energy: -125.814 flat angles P-C4'-P energy: -86.716 tors. eta vs tors. theta energy: -171.146 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: 5, replica: 6 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1875.180114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.180114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.180114 (E_RNA) where: Base-Base interactions energy: -1286.161 where: short stacking energy: -550.791 Base-Backbone interact. energy: -1.377 local terms energy: -587.641410 where: bonds (distance) C4'-P energy: -98.392 bonds (distance) P-C4' energy: -101.327 flat angles C4'-P-C4' energy: -133.053 flat angles P-C4'-P energy: -78.964 tors. eta vs tors. theta energy: -175.906 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: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1633.763200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.763200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.763200 (E_RNA) where: Base-Base interactions energy: -1080.854 where: short stacking energy: -478.972 Base-Backbone interact. energy: 3.302 local terms energy: -556.211214 where: bonds (distance) C4'-P energy: -93.810 bonds (distance) P-C4' energy: -123.570 flat angles C4'-P-C4' energy: -114.668 flat angles P-C4'-P energy: -87.625 tors. eta vs tors. theta energy: -136.537 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: 7, replica: 9 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1335.509741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.509741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.509741 (E_RNA) where: Base-Base interactions energy: -872.631 where: short stacking energy: -363.781 Base-Backbone interact. energy: -2.196 local terms energy: -460.682733 where: bonds (distance) C4'-P energy: -99.954 bonds (distance) P-C4' energy: -118.381 flat angles C4'-P-C4' energy: -104.050 flat angles P-C4'-P energy: -45.515 tors. eta vs tors. theta energy: -92.783 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: 2 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1136.608135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.608135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.608135 (E_RNA) where: Base-Base interactions energy: -700.343 where: short stacking energy: -323.925 Base-Backbone interact. energy: -1.934 local terms energy: -434.331359 where: bonds (distance) C4'-P energy: -98.325 bonds (distance) P-C4' energy: -105.277 flat angles C4'-P-C4' energy: -107.699 flat angles P-C4'-P energy: -67.217 tors. eta vs tors. theta energy: -55.813 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: 3 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -853.469099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.469099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.469099 (E_RNA) where: Base-Base interactions energy: -476.244 where: short stacking energy: -247.046 Base-Backbone interact. energy: -1.362 local terms energy: -375.863400 where: bonds (distance) C4'-P energy: -106.387 bonds (distance) P-C4' energy: -101.837 flat angles C4'-P-C4' energy: -92.999 flat angles P-C4'-P energy: -55.849 tors. eta vs tors. theta energy: -18.791 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: 5 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -822.077551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.077551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.077551 (E_RNA) where: Base-Base interactions energy: -453.334 where: short stacking energy: -216.259 Base-Backbone interact. energy: -2.993 local terms energy: -365.750581 where: bonds (distance) C4'-P energy: -107.518 bonds (distance) P-C4' energy: -102.109 flat angles C4'-P-C4' energy: -80.856 flat angles P-C4'-P energy: -54.036 tors. eta vs tors. theta energy: -21.232 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: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2259.932474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.932474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.932474 (E_RNA) where: Base-Base interactions energy: -1588.442 where: short stacking energy: -669.387 Base-Backbone interact. energy: -1.749 local terms energy: -669.741780 where: bonds (distance) C4'-P energy: -126.372 bonds (distance) P-C4' energy: -115.353 flat angles C4'-P-C4' energy: -137.314 flat angles P-C4'-P energy: -94.084 tors. eta vs tors. theta energy: -196.619 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: 2, replica: 7 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2179.193396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.193396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.193396 (E_RNA) where: Base-Base interactions energy: -1509.377 where: short stacking energy: -628.840 Base-Backbone interact. energy: -0.778 local terms energy: -669.038552 where: bonds (distance) C4'-P energy: -130.364 bonds (distance) P-C4' energy: -111.167 flat angles C4'-P-C4' energy: -139.497 flat angles P-C4'-P energy: -102.099 tors. eta vs tors. theta energy: -185.912 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: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2081.329802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.329802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.329802 (E_RNA) where: Base-Base interactions energy: -1452.133 where: short stacking energy: -590.049 Base-Backbone interact. energy: -3.952 local terms energy: -625.244801 where: bonds (distance) C4'-P energy: -102.477 bonds (distance) P-C4' energy: -122.172 flat angles C4'-P-C4' energy: -139.419 flat angles P-C4'-P energy: -96.835 tors. eta vs tors. theta energy: -164.342 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: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1913.410704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.410704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.410704 (E_RNA) where: Base-Base interactions energy: -1273.894 where: short stacking energy: -558.535 Base-Backbone interact. energy: -2.855 local terms energy: -636.661795 where: bonds (distance) C4'-P energy: -106.171 bonds (distance) P-C4' energy: -127.302 flat angles C4'-P-C4' energy: -140.015 flat angles P-C4'-P energy: -98.341 tors. eta vs tors. theta energy: -164.833 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: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1832.252605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.252605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.252605 (E_RNA) where: Base-Base interactions energy: -1243.464 where: short stacking energy: -519.326 Base-Backbone interact. energy: 1.496 local terms energy: -590.283882 where: bonds (distance) C4'-P energy: -109.792 bonds (distance) P-C4' energy: -124.432 flat angles C4'-P-C4' energy: -120.062 flat angles P-C4'-P energy: -89.170 tors. eta vs tors. theta energy: -146.828 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: 6, replica: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1644.207334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.207334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.207334 (E_RNA) where: Base-Base interactions energy: -1095.868 where: short stacking energy: -487.047 Base-Backbone interact. energy: -0.307 local terms energy: -548.032349 where: bonds (distance) C4'-P energy: -109.196 bonds (distance) P-C4' energy: -107.390 flat angles C4'-P-C4' energy: -112.348 flat angles P-C4'-P energy: -81.230 tors. eta vs tors. theta energy: -137.868 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: 9 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1441.999365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.999365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.999365 (E_RNA) where: Base-Base interactions energy: -967.087 where: short stacking energy: -419.498 Base-Backbone interact. energy: -3.075 local terms energy: -471.837965 where: bonds (distance) C4'-P energy: -103.570 bonds (distance) P-C4' energy: -93.300 flat angles C4'-P-C4' energy: -110.538 flat angles P-C4'-P energy: -65.006 tors. eta vs tors. theta energy: -99.423 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: 8, replica: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1087.663311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.663311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.663311 (E_RNA) where: Base-Base interactions energy: -656.184 where: short stacking energy: -283.448 Base-Backbone interact. energy: 0.532 local terms energy: -432.011718 where: bonds (distance) C4'-P energy: -84.294 bonds (distance) P-C4' energy: -127.061 flat angles C4'-P-C4' energy: -110.271 flat angles P-C4'-P energy: -60.933 tors. eta vs tors. theta energy: -49.452 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: 9, replica: 3 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -852.685521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.685521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.685521 (E_RNA) where: Base-Base interactions energy: -476.516 where: short stacking energy: -248.338 Base-Backbone interact. energy: 1.013 local terms energy: -377.183036 where: bonds (distance) C4'-P energy: -96.472 bonds (distance) P-C4' energy: -100.217 flat angles C4'-P-C4' energy: -90.357 flat angles P-C4'-P energy: -67.190 tors. eta vs tors. theta energy: -22.947 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: 10, replica: 5 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -809.887115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.887115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.887115 (E_RNA) where: Base-Base interactions energy: -450.786 where: short stacking energy: -227.902 Base-Backbone interact. energy: -2.580 local terms energy: -356.521123 where: bonds (distance) C4'-P energy: -83.637 bonds (distance) P-C4' energy: -107.270 flat angles C4'-P-C4' energy: -93.313 flat angles P-C4'-P energy: -51.861 tors. eta vs tors. theta energy: -20.440 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: 1, replica: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2235.012947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.012947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.012947 (E_RNA) where: Base-Base interactions energy: -1543.491 where: short stacking energy: -641.297 Base-Backbone interact. energy: -5.868 local terms energy: -685.654074 where: bonds (distance) C4'-P energy: -116.865 bonds (distance) P-C4' energy: -137.311 flat angles C4'-P-C4' energy: -149.991 flat angles P-C4'-P energy: -86.604 tors. eta vs tors. theta energy: -194.884 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: 2, replica: 7 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2117.808519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.808519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.808519 (E_RNA) where: Base-Base interactions energy: -1443.013 where: short stacking energy: -606.930 Base-Backbone interact. energy: -3.911 local terms energy: -670.884377 where: bonds (distance) C4'-P energy: -123.235 bonds (distance) P-C4' energy: -121.001 flat angles C4'-P-C4' energy: -140.683 flat angles P-C4'-P energy: -102.377 tors. eta vs tors. theta energy: -183.588 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: 3, replica: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2109.559240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.559240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.559240 (E_RNA) where: Base-Base interactions energy: -1493.825 where: short stacking energy: -583.938 Base-Backbone interact. energy: 1.429 local terms energy: -617.162939 where: bonds (distance) C4'-P energy: -111.769 bonds (distance) P-C4' energy: -113.998 flat angles C4'-P-C4' energy: -137.366 flat angles P-C4'-P energy: -91.343 tors. eta vs tors. theta energy: -162.686 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: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1880.361601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.361601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.361601 (E_RNA) where: Base-Base interactions energy: -1268.332 where: short stacking energy: -520.095 Base-Backbone interact. energy: -2.139 local terms energy: -609.891404 where: bonds (distance) C4'-P energy: -117.409 bonds (distance) P-C4' energy: -113.989 flat angles C4'-P-C4' energy: -131.451 flat angles P-C4'-P energy: -87.463 tors. eta vs tors. theta energy: -159.579 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: 5, replica: 6 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1923.458430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.458430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.458430 (E_RNA) where: Base-Base interactions energy: -1342.076 where: short stacking energy: -557.611 Base-Backbone interact. energy: -0.534 local terms energy: -580.847806 where: bonds (distance) C4'-P energy: -107.165 bonds (distance) P-C4' energy: -116.945 flat angles C4'-P-C4' energy: -123.079 flat angles P-C4'-P energy: -89.797 tors. eta vs tors. theta energy: -143.863 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: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1650.558089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.558089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.558089 (E_RNA) where: Base-Base interactions energy: -1118.231 where: short stacking energy: -470.836 Base-Backbone interact. energy: -2.108 local terms energy: -530.218955 where: bonds (distance) C4'-P energy: -108.353 bonds (distance) P-C4' energy: -104.171 flat angles C4'-P-C4' energy: -116.452 flat angles P-C4'-P energy: -85.188 tors. eta vs tors. theta energy: -116.055 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: 7, replica: 9 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1436.320763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.320763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.320763 (E_RNA) where: Base-Base interactions energy: -961.943 where: short stacking energy: -403.996 Base-Backbone interact. energy: 0.019 local terms energy: -474.396854 where: bonds (distance) C4'-P energy: -91.769 bonds (distance) P-C4' energy: -111.940 flat angles C4'-P-C4' energy: -111.913 flat angles P-C4'-P energy: -61.487 tors. eta vs tors. theta energy: -97.288 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: 8, replica: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1109.735411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.735411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.735411 (E_RNA) where: Base-Base interactions energy: -667.747 where: short stacking energy: -312.829 Base-Backbone interact. energy: -1.490 local terms energy: -440.498250 where: bonds (distance) C4'-P energy: -100.551 bonds (distance) P-C4' energy: -99.836 flat angles C4'-P-C4' energy: -106.529 flat angles P-C4'-P energy: -74.387 tors. eta vs tors. theta energy: -59.196 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: 3 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -900.607472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.607472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.607472 (E_RNA) where: Base-Base interactions energy: -518.259 where: short stacking energy: -255.638 Base-Backbone interact. energy: 1.520 local terms energy: -383.868106 where: bonds (distance) C4'-P energy: -104.444 bonds (distance) P-C4' energy: -110.528 flat angles C4'-P-C4' energy: -87.408 flat angles P-C4'-P energy: -55.974 tors. eta vs tors. theta energy: -25.515 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: 10, replica: 5 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -756.790470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.790470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.790470 (E_RNA) where: Base-Base interactions energy: -380.808 where: short stacking energy: -209.505 Base-Backbone interact. energy: 3.699 local terms energy: -379.682356 where: bonds (distance) C4'-P energy: -84.274 bonds (distance) P-C4' energy: -114.181 flat angles C4'-P-C4' energy: -93.437 flat angles P-C4'-P energy: -59.297 tors. eta vs tors. theta energy: -28.493 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: 334 Temperature: 0.900000 Total energy: -2216.189463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.189463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.189463 (E_RNA) where: Base-Base interactions energy: -1552.012 where: short stacking energy: -664.123 Base-Backbone interact. energy: -3.575 local terms energy: -660.602562 where: bonds (distance) C4'-P energy: -107.034 bonds (distance) P-C4' energy: -112.969 flat angles C4'-P-C4' energy: -146.524 flat angles P-C4'-P energy: -97.049 tors. eta vs tors. theta energy: -197.027 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: 2, replica: 7 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2158.345046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.345046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.345046 (E_RNA) where: Base-Base interactions energy: -1494.496 where: short stacking energy: -641.537 Base-Backbone interact. energy: -3.152 local terms energy: -660.697646 where: bonds (distance) C4'-P energy: -111.179 bonds (distance) P-C4' energy: -119.279 flat angles C4'-P-C4' energy: -143.442 flat angles P-C4'-P energy: -93.934 tors. eta vs tors. theta energy: -192.864 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: 3, replica: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2104.669146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.669146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.669146 (E_RNA) where: Base-Base interactions energy: -1479.679 where: short stacking energy: -582.093 Base-Backbone interact. energy: -3.567 local terms energy: -621.423208 where: bonds (distance) C4'-P energy: -116.141 bonds (distance) P-C4' energy: -117.546 flat angles C4'-P-C4' energy: -133.133 flat angles P-C4'-P energy: -97.424 tors. eta vs tors. theta energy: -157.179 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: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1977.379249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.379249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.379249 (E_RNA) where: Base-Base interactions energy: -1360.536 where: short stacking energy: -583.557 Base-Backbone interact. energy: -1.935 local terms energy: -614.907784 where: bonds (distance) C4'-P energy: -106.763 bonds (distance) P-C4' energy: -108.405 flat angles C4'-P-C4' energy: -134.440 flat angles P-C4'-P energy: -82.868 tors. eta vs tors. theta energy: -182.431 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: 5, replica: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1900.414537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.414537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.414537 (E_RNA) where: Base-Base interactions energy: -1307.555 where: short stacking energy: -551.799 Base-Backbone interact. energy: 1.090 local terms energy: -593.949915 where: bonds (distance) C4'-P energy: -95.104 bonds (distance) P-C4' energy: -102.476 flat angles C4'-P-C4' energy: -143.860 flat angles P-C4'-P energy: -90.581 tors. eta vs tors. theta energy: -161.929 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: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1586.488551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.488551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.488551 (E_RNA) where: Base-Base interactions energy: -1039.379 where: short stacking energy: -476.054 Base-Backbone interact. energy: -0.434 local terms energy: -546.675409 where: bonds (distance) C4'-P energy: -83.226 bonds (distance) P-C4' energy: -123.400 flat angles C4'-P-C4' energy: -127.144 flat angles P-C4'-P energy: -93.816 tors. eta vs tors. theta energy: -119.090 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: 7, replica: 9 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1470.503962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.503962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.503962 (E_RNA) where: Base-Base interactions energy: -966.669 where: short stacking energy: -412.483 Base-Backbone interact. energy: -4.183 local terms energy: -499.652236 where: bonds (distance) C4'-P energy: -107.972 bonds (distance) P-C4' energy: -93.904 flat angles C4'-P-C4' energy: -118.049 flat angles P-C4'-P energy: -75.373 tors. eta vs tors. theta energy: -104.354 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: 8, replica: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1187.524344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.524344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.524344 (E_RNA) where: Base-Base interactions energy: -719.261 where: short stacking energy: -352.175 Base-Backbone interact. energy: -0.299 local terms energy: -467.964173 where: bonds (distance) C4'-P energy: -113.743 bonds (distance) P-C4' energy: -103.316 flat angles C4'-P-C4' energy: -112.992 flat angles P-C4'-P energy: -72.172 tors. eta vs tors. theta energy: -65.741 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: 9, replica: 3 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -885.069954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.069954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.069954 (E_RNA) where: Base-Base interactions energy: -494.401 where: short stacking energy: -241.520 Base-Backbone interact. energy: 1.862 local terms energy: -392.531159 where: bonds (distance) C4'-P energy: -96.690 bonds (distance) P-C4' energy: -109.387 flat angles C4'-P-C4' energy: -107.267 flat angles P-C4'-P energy: -70.625 tors. eta vs tors. theta energy: -8.563 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: 10, replica: 5 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -786.468061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.468061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.468061 (E_RNA) where: Base-Base interactions energy: -401.628 where: short stacking energy: -210.610 Base-Backbone interact. energy: 1.436 local terms energy: -386.276572 where: bonds (distance) C4'-P energy: -117.758 bonds (distance) P-C4' energy: -101.248 flat angles C4'-P-C4' energy: -95.818 flat angles P-C4'-P energy: -58.579 tors. eta vs tors. theta energy: -12.874 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: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2221.111661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.111661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.111661 (E_RNA) where: Base-Base interactions energy: -1563.445 where: short stacking energy: -651.782 Base-Backbone interact. energy: 1.209 local terms energy: -658.876416 where: bonds (distance) C4'-P energy: -128.406 bonds (distance) P-C4' energy: -130.323 flat angles C4'-P-C4' energy: -140.738 flat angles P-C4'-P energy: -78.237 tors. eta vs tors. theta energy: -181.172 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: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2186.895003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.895003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.895003 (E_RNA) where: Base-Base interactions energy: -1513.119 where: short stacking energy: -651.095 Base-Backbone interact. energy: -3.490 local terms energy: -670.286616 where: bonds (distance) C4'-P energy: -122.454 bonds (distance) P-C4' energy: -128.455 flat angles C4'-P-C4' energy: -127.784 flat angles P-C4'-P energy: -91.095 tors. eta vs tors. theta energy: -200.498 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: 335 Temperature: 1.000000 Total energy: -2095.829377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.829377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.829377 (E_RNA) where: Base-Base interactions energy: -1459.946 where: short stacking energy: -580.487 Base-Backbone interact. energy: -3.790 local terms energy: -632.093742 where: bonds (distance) C4'-P energy: -119.267 bonds (distance) P-C4' energy: -120.194 flat angles C4'-P-C4' energy: -129.543 flat angles P-C4'-P energy: -93.787 tors. eta vs tors. theta energy: -169.303 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: 4, replica: 4 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1950.778317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.778317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.778317 (E_RNA) where: Base-Base interactions energy: -1352.115 where: short stacking energy: -591.901 Base-Backbone interact. energy: -0.967 local terms energy: -597.696408 where: bonds (distance) C4'-P energy: -116.569 bonds (distance) P-C4' energy: -118.057 flat angles C4'-P-C4' energy: -115.297 flat angles P-C4'-P energy: -70.134 tors. eta vs tors. theta energy: -177.639 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: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1858.830497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.830497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.830497 (E_RNA) where: Base-Base interactions energy: -1260.085 where: short stacking energy: -522.946 Base-Backbone interact. energy: -5.210 local terms energy: -593.535186 where: bonds (distance) C4'-P energy: -117.979 bonds (distance) P-C4' energy: -123.517 flat angles C4'-P-C4' energy: -132.118 flat angles P-C4'-P energy: -76.809 tors. eta vs tors. theta energy: -143.113 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: 6, replica: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1515.094212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.094212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.094212 (E_RNA) where: Base-Base interactions energy: -1015.580 where: short stacking energy: -435.563 Base-Backbone interact. energy: -1.977 local terms energy: -497.537432 where: bonds (distance) C4'-P energy: -104.257 bonds (distance) P-C4' energy: -103.325 flat angles C4'-P-C4' energy: -115.044 flat angles P-C4'-P energy: -65.789 tors. eta vs tors. theta energy: -109.123 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: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1533.488656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.488656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.488656 (E_RNA) where: Base-Base interactions energy: -1020.490 where: short stacking energy: -442.875 Base-Backbone interact. energy: -0.184 local terms energy: -512.815343 where: bonds (distance) C4'-P energy: -114.279 bonds (distance) P-C4' energy: -108.954 flat angles C4'-P-C4' energy: -115.922 flat angles P-C4'-P energy: -60.375 tors. eta vs tors. theta energy: -113.285 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: 2 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1154.051296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.051296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.051296 (E_RNA) where: Base-Base interactions energy: -722.536 where: short stacking energy: -365.644 Base-Backbone interact. energy: 1.884 local terms energy: -433.399105 where: bonds (distance) C4'-P energy: -106.436 bonds (distance) P-C4' energy: -94.791 flat angles C4'-P-C4' energy: -99.503 flat angles P-C4'-P energy: -53.553 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: 9, replica: 3 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -852.016050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.016050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.016050 (E_RNA) where: Base-Base interactions energy: -469.844 where: short stacking energy: -226.777 Base-Backbone interact. energy: -2.398 local terms energy: -379.774135 where: bonds (distance) C4'-P energy: -99.852 bonds (distance) P-C4' energy: -99.674 flat angles C4'-P-C4' energy: -109.376 flat angles P-C4'-P energy: -57.505 tors. eta vs tors. theta energy: -13.367 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: 10, replica: 5 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -781.032324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.032324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.032324 (E_RNA) where: Base-Base interactions energy: -422.241 where: short stacking energy: -204.152 Base-Backbone interact. energy: -1.224 local terms energy: -357.567272 where: bonds (distance) C4'-P energy: -90.367 bonds (distance) P-C4' energy: -97.090 flat angles C4'-P-C4' energy: -97.481 flat angles P-C4'-P energy: -51.775 tors. eta vs tors. theta energy: -20.854 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: 336 Temperature: 0.900000 Total energy: -2226.005826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.005826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.005826 (E_RNA) where: Base-Base interactions energy: -1555.826 where: short stacking energy: -649.532 Base-Backbone interact. energy: -4.478 local terms energy: -665.701623 where: bonds (distance) C4'-P energy: -119.635 bonds (distance) P-C4' energy: -121.827 flat angles C4'-P-C4' energy: -145.292 flat angles P-C4'-P energy: -86.882 tors. eta vs tors. theta energy: -192.067 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: 2, replica: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2186.843426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.843426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.843426 (E_RNA) where: Base-Base interactions energy: -1484.769 where: short stacking energy: -640.457 Base-Backbone interact. energy: -4.495 local terms energy: -697.579244 where: bonds (distance) C4'-P energy: -127.865 bonds (distance) P-C4' energy: -127.612 flat angles C4'-P-C4' energy: -143.941 flat angles P-C4'-P energy: -107.209 tors. eta vs tors. theta energy: -190.952 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: 3, replica: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2081.695564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.695564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.695564 (E_RNA) where: Base-Base interactions energy: -1462.251 where: short stacking energy: -585.497 Base-Backbone interact. energy: -4.933 local terms energy: -614.512290 where: bonds (distance) C4'-P energy: -120.408 bonds (distance) P-C4' energy: -117.829 flat angles C4'-P-C4' energy: -125.227 flat angles P-C4'-P energy: -82.786 tors. eta vs tors. theta energy: -168.263 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: 4, replica: 4 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1911.384740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.384740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.384740 (E_RNA) where: Base-Base interactions energy: -1301.909 where: short stacking energy: -572.080 Base-Backbone interact. energy: 1.854 local terms energy: -611.329596 where: bonds (distance) C4'-P energy: -123.119 bonds (distance) P-C4' energy: -109.550 flat angles C4'-P-C4' energy: -137.264 flat angles P-C4'-P energy: -77.526 tors. eta vs tors. theta energy: -163.871 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: 5, replica: 6 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1833.841350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.841350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.841350 (E_RNA) where: Base-Base interactions energy: -1265.357 where: short stacking energy: -522.230 Base-Backbone interact. energy: -0.874 local terms energy: -567.610005 where: bonds (distance) C4'-P energy: -92.577 bonds (distance) P-C4' energy: -115.780 flat angles C4'-P-C4' energy: -129.442 flat angles P-C4'-P energy: -79.139 tors. eta vs tors. theta energy: -150.671 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: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1544.962756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.962756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.962756 (E_RNA) where: Base-Base interactions energy: -1029.080 where: short stacking energy: -430.638 Base-Backbone interact. energy: -2.606 local terms energy: -513.276613 where: bonds (distance) C4'-P energy: -82.290 bonds (distance) P-C4' energy: -118.382 flat angles C4'-P-C4' energy: -126.036 flat angles P-C4'-P energy: -81.525 tors. eta vs tors. theta energy: -105.043 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: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1520.482807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.482807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.482807 (E_RNA) where: Base-Base interactions energy: -1028.258 where: short stacking energy: -430.825 Base-Backbone interact. energy: 1.346 local terms energy: -493.570280 where: bonds (distance) C4'-P energy: -98.151 bonds (distance) P-C4' energy: -118.181 flat angles C4'-P-C4' energy: -111.255 flat angles P-C4'-P energy: -61.672 tors. eta vs tors. theta energy: -104.311 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: 2 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1176.465216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.465216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.465216 (E_RNA) where: Base-Base interactions energy: -737.488 where: short stacking energy: -313.946 Base-Backbone interact. energy: -0.430 local terms energy: -438.546716 where: bonds (distance) C4'-P energy: -106.370 bonds (distance) P-C4' energy: -115.772 flat angles C4'-P-C4' energy: -111.268 flat angles P-C4'-P energy: -51.810 tors. eta vs tors. theta energy: -53.327 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: 9, replica: 3 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -896.985333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.985333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.985333 (E_RNA) where: Base-Base interactions energy: -506.725 where: short stacking energy: -262.128 Base-Backbone interact. energy: -1.915 local terms energy: -388.345023 where: bonds (distance) C4'-P energy: -88.114 bonds (distance) P-C4' energy: -99.967 flat angles C4'-P-C4' energy: -107.927 flat angles P-C4'-P energy: -60.343 tors. eta vs tors. theta energy: -31.993 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: 5 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -829.925415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.925415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.925415 (E_RNA) where: Base-Base interactions energy: -475.950 where: short stacking energy: -233.537 Base-Backbone interact. energy: 1.980 local terms energy: -355.956279 where: bonds (distance) C4'-P energy: -86.714 bonds (distance) P-C4' energy: -105.059 flat angles C4'-P-C4' energy: -92.118 flat angles P-C4'-P energy: -55.207 tors. eta vs tors. theta energy: -16.858 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: 1, replica: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2256.774994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.774994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.774994 (E_RNA) where: Base-Base interactions energy: -1555.465 where: short stacking energy: -639.314 Base-Backbone interact. energy: -2.523 local terms energy: -698.786841 where: bonds (distance) C4'-P energy: -119.227 bonds (distance) P-C4' energy: -138.985 flat angles C4'-P-C4' energy: -141.196 flat angles P-C4'-P energy: -105.954 tors. eta vs tors. theta energy: -193.425 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: 2, replica: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2169.824449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.824449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.824449 (E_RNA) where: Base-Base interactions energy: -1502.273 where: short stacking energy: -653.074 Base-Backbone interact. energy: -2.273 local terms energy: -665.278311 where: bonds (distance) C4'-P energy: -105.528 bonds (distance) P-C4' energy: -126.821 flat angles C4'-P-C4' energy: -140.296 flat angles P-C4'-P energy: -88.196 tors. eta vs tors. theta energy: -204.438 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: 3, replica: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2117.463547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.463547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.463547 (E_RNA) where: Base-Base interactions energy: -1498.883 where: short stacking energy: -610.781 Base-Backbone interact. energy: 2.432 local terms energy: -621.012787 where: bonds (distance) C4'-P energy: -108.187 bonds (distance) P-C4' energy: -119.275 flat angles C4'-P-C4' energy: -133.931 flat angles P-C4'-P energy: -88.808 tors. eta vs tors. theta energy: -170.812 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: 4, replica: 4 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1889.788471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.788471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.788471 (E_RNA) where: Base-Base interactions energy: -1298.749 where: short stacking energy: -570.459 Base-Backbone interact. energy: -2.658 local terms energy: -588.381815 where: bonds (distance) C4'-P energy: -112.156 bonds (distance) P-C4' energy: -110.939 flat angles C4'-P-C4' energy: -124.699 flat angles P-C4'-P energy: -81.635 tors. eta vs tors. theta energy: -158.952 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: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1835.445193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.445193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.445193 (E_RNA) where: Base-Base interactions energy: -1242.660 where: short stacking energy: -524.946 Base-Backbone interact. energy: 0.668 local terms energy: -593.452527 where: bonds (distance) C4'-P energy: -108.903 bonds (distance) P-C4' energy: -105.492 flat angles C4'-P-C4' energy: -132.434 flat angles P-C4'-P energy: -84.623 tors. eta vs tors. theta energy: -162.001 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: 9 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1586.748024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.748024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.748024 (E_RNA) where: Base-Base interactions energy: -1063.400 where: short stacking energy: -470.171 Base-Backbone interact. energy: 7.546 local terms energy: -530.894015 where: bonds (distance) C4'-P energy: -106.649 bonds (distance) P-C4' energy: -108.168 flat angles C4'-P-C4' energy: -124.723 flat angles P-C4'-P energy: -63.587 tors. eta vs tors. theta energy: -127.768 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: 7, replica: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1531.245343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.245343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.245343 (E_RNA) where: Base-Base interactions energy: -1026.922 where: short stacking energy: -428.473 Base-Backbone interact. energy: 2.326 local terms energy: -506.649742 where: bonds (distance) C4'-P energy: -106.368 bonds (distance) P-C4' energy: -94.871 flat angles C4'-P-C4' energy: -110.723 flat angles P-C4'-P energy: -81.899 tors. eta vs tors. theta energy: -112.789 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: 8, replica: 2 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1176.476427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.476427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.476427 (E_RNA) where: Base-Base interactions energy: -735.458 where: short stacking energy: -308.713 Base-Backbone interact. energy: 1.163 local terms energy: -442.181611 where: bonds (distance) C4'-P energy: -103.854 bonds (distance) P-C4' energy: -115.578 flat angles C4'-P-C4' energy: -96.247 flat angles P-C4'-P energy: -71.269 tors. eta vs tors. theta energy: -55.232 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: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -885.538278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.538278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.538278 (E_RNA) where: Base-Base interactions energy: -531.521 where: short stacking energy: -262.733 Base-Backbone interact. energy: 3.422 local terms energy: -357.439324 where: bonds (distance) C4'-P energy: -91.564 bonds (distance) P-C4' energy: -91.571 flat angles C4'-P-C4' energy: -88.997 flat angles P-C4'-P energy: -69.112 tors. eta vs tors. theta energy: -16.195 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: 10, replica: 5 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -841.940388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.940388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.940388 (E_RNA) where: Base-Base interactions energy: -469.840 where: short stacking energy: -233.224 Base-Backbone interact. energy: -1.549 local terms energy: -370.551802 where: bonds (distance) C4'-P energy: -105.960 bonds (distance) P-C4' energy: -100.901 flat angles C4'-P-C4' energy: -93.745 flat angles P-C4'-P energy: -57.878 tors. eta vs tors. theta energy: -12.067 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: 1, replica: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2228.605308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.605308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.605308 (E_RNA) where: Base-Base interactions energy: -1546.209 where: short stacking energy: -636.716 Base-Backbone interact. energy: 2.396 local terms energy: -684.792522 where: bonds (distance) C4'-P energy: -133.293 bonds (distance) P-C4' energy: -127.615 flat angles C4'-P-C4' energy: -140.233 flat angles P-C4'-P energy: -93.854 tors. eta vs tors. theta energy: -189.798 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: 2, replica: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2176.542340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.542340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.542340 (E_RNA) where: Base-Base interactions energy: -1496.133 where: short stacking energy: -640.173 Base-Backbone interact. energy: -2.902 local terms energy: -677.507768 where: bonds (distance) C4'-P energy: -114.391 bonds (distance) P-C4' energy: -138.061 flat angles C4'-P-C4' energy: -132.836 flat angles P-C4'-P energy: -89.387 tors. eta vs tors. theta energy: -202.832 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: 3, replica: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2073.568802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.568802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.568802 (E_RNA) where: Base-Base interactions energy: -1485.998 where: short stacking energy: -604.614 Base-Backbone interact. energy: -3.165 local terms energy: -584.406041 where: bonds (distance) C4'-P energy: -96.174 bonds (distance) P-C4' energy: -121.849 flat angles C4'-P-C4' energy: -122.429 flat angles P-C4'-P energy: -83.806 tors. eta vs tors. theta energy: -160.147 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: 4 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1914.484976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.484976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.484976 (E_RNA) where: Base-Base interactions energy: -1279.028 where: short stacking energy: -572.007 Base-Backbone interact. energy: 1.729 local terms energy: -637.186160 where: bonds (distance) C4'-P energy: -116.555 bonds (distance) P-C4' energy: -114.337 flat angles C4'-P-C4' energy: -141.413 flat angles P-C4'-P energy: -98.745 tors. eta vs tors. theta energy: -166.137 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: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1846.587415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.587415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.587415 (E_RNA) where: Base-Base interactions energy: -1252.541 where: short stacking energy: -528.058 Base-Backbone interact. energy: -4.821 local terms energy: -589.225147 where: bonds (distance) C4'-P energy: -114.392 bonds (distance) P-C4' energy: -117.725 flat angles C4'-P-C4' energy: -127.979 flat angles P-C4'-P energy: -77.344 tors. eta vs tors. theta energy: -151.785 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: 6, replica: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1655.519810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.519810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.519810 (E_RNA) where: Base-Base interactions energy: -1107.239 where: short stacking energy: -482.817 Base-Backbone interact. energy: -1.612 local terms energy: -546.668926 where: bonds (distance) C4'-P energy: -118.374 bonds (distance) P-C4' energy: -114.694 flat angles C4'-P-C4' energy: -117.900 flat angles P-C4'-P energy: -69.984 tors. eta vs tors. theta energy: -125.717 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: 7, replica: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1476.195845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.195845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.195845 (E_RNA) where: Base-Base interactions energy: -980.669 where: short stacking energy: -405.867 Base-Backbone interact. energy: 0.487 local terms energy: -496.013441 where: bonds (distance) C4'-P energy: -99.284 bonds (distance) P-C4' energy: -100.975 flat angles C4'-P-C4' energy: -118.246 flat angles P-C4'-P energy: -74.657 tors. eta vs tors. theta energy: -102.851 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: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1239.843635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.843635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.843635 (E_RNA) where: Base-Base interactions energy: -768.940 where: short stacking energy: -359.990 Base-Backbone interact. energy: 0.691 local terms energy: -471.593971 where: bonds (distance) C4'-P energy: -96.846 bonds (distance) P-C4' energy: -117.947 flat angles C4'-P-C4' energy: -107.775 flat angles P-C4'-P energy: -74.259 tors. eta vs tors. theta energy: -74.766 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: 9, replica: 3 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -850.823457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.823457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.823457 (E_RNA) where: Base-Base interactions energy: -470.699 where: short stacking energy: -240.570 Base-Backbone interact. energy: -1.666 local terms energy: -378.458891 where: bonds (distance) C4'-P energy: -92.850 bonds (distance) P-C4' energy: -100.756 flat angles C4'-P-C4' energy: -97.847 flat angles P-C4'-P energy: -57.430 tors. eta vs tors. theta energy: -29.576 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: 10, replica: 5 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -805.035239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.035239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.035239 (E_RNA) where: Base-Base interactions energy: -460.263 where: short stacking energy: -237.291 Base-Backbone interact. energy: -0.800 local terms energy: -343.972163 where: bonds (distance) C4'-P energy: -88.513 bonds (distance) P-C4' energy: -99.667 flat angles C4'-P-C4' energy: -86.087 flat angles P-C4'-P energy: -62.979 tors. eta vs tors. theta energy: -6.727 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: 1, replica: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2259.414383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.414383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.414383 (E_RNA) where: Base-Base interactions energy: -1571.187 where: short stacking energy: -652.525 Base-Backbone interact. energy: -5.173 local terms energy: -683.054332 where: bonds (distance) C4'-P energy: -119.691 bonds (distance) P-C4' energy: -128.397 flat angles C4'-P-C4' energy: -147.992 flat angles P-C4'-P energy: -104.248 tors. eta vs tors. theta energy: -182.728 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: 2, replica: 7 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2163.200402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.200402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.200402 (E_RNA) where: Base-Base interactions energy: -1500.823 where: short stacking energy: -660.699 Base-Backbone interact. energy: -2.043 local terms energy: -660.334534 where: bonds (distance) C4'-P energy: -123.294 bonds (distance) P-C4' energy: -125.751 flat angles C4'-P-C4' energy: -131.228 flat angles P-C4'-P energy: -91.340 tors. eta vs tors. theta energy: -188.722 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: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2100.219614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.219614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.219614 (E_RNA) where: Base-Base interactions energy: -1479.241 where: short stacking energy: -589.857 Base-Backbone interact. energy: -4.637 local terms energy: -616.342121 where: bonds (distance) C4'-P energy: -98.888 bonds (distance) P-C4' energy: -122.042 flat angles C4'-P-C4' energy: -137.694 flat angles P-C4'-P energy: -98.582 tors. eta vs tors. theta energy: -159.136 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: 4 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1931.892707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.892707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.892707 (E_RNA) where: Base-Base interactions energy: -1333.562 where: short stacking energy: -592.721 Base-Backbone interact. energy: -3.372 local terms energy: -594.958840 where: bonds (distance) C4'-P energy: -115.311 bonds (distance) P-C4' energy: -106.960 flat angles C4'-P-C4' energy: -134.382 flat angles P-C4'-P energy: -73.226 tors. eta vs tors. theta energy: -165.079 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: 5, replica: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1846.290883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.290883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.290883 (E_RNA) where: Base-Base interactions energy: -1262.680 where: short stacking energy: -517.052 Base-Backbone interact. energy: -3.040 local terms energy: -580.571409 where: bonds (distance) C4'-P energy: -107.179 bonds (distance) P-C4' energy: -127.625 flat angles C4'-P-C4' energy: -125.507 flat angles P-C4'-P energy: -73.061 tors. eta vs tors. theta energy: -147.200 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: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1589.574988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.574988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.574988 (E_RNA) where: Base-Base interactions energy: -1046.955 where: short stacking energy: -472.530 Base-Backbone interact. energy: -1.952 local terms energy: -540.667544 where: bonds (distance) C4'-P energy: -117.852 bonds (distance) P-C4' energy: -107.583 flat angles C4'-P-C4' energy: -120.165 flat angles P-C4'-P energy: -72.373 tors. eta vs tors. theta energy: -122.695 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: 7, replica: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1459.680200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.680200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.680200 (E_RNA) where: Base-Base interactions energy: -927.562 where: short stacking energy: -424.947 Base-Backbone interact. energy: -0.608 local terms energy: -531.510256 where: bonds (distance) C4'-P energy: -110.591 bonds (distance) P-C4' energy: -111.347 flat angles C4'-P-C4' energy: -119.949 flat angles P-C4'-P energy: -77.392 tors. eta vs tors. theta energy: -112.231 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: 8, replica: 2 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1179.292933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.292933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.292933 (E_RNA) where: Base-Base interactions energy: -723.007 where: short stacking energy: -347.611 Base-Backbone interact. energy: 0.039 local terms energy: -456.325229 where: bonds (distance) C4'-P energy: -103.672 bonds (distance) P-C4' energy: -115.256 flat angles C4'-P-C4' energy: -113.196 flat angles P-C4'-P energy: -55.452 tors. eta vs tors. theta energy: -68.749 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: 9, replica: 3 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -841.231677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.231677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.231677 (E_RNA) where: Base-Base interactions energy: -470.954 where: short stacking energy: -248.569 Base-Backbone interact. energy: -1.663 local terms energy: -368.614344 where: bonds (distance) C4'-P energy: -94.220 bonds (distance) P-C4' energy: -96.838 flat angles C4'-P-C4' energy: -96.390 flat angles P-C4'-P energy: -62.119 tors. eta vs tors. theta energy: -19.047 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: 5 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -832.767821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.767821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.767821 (E_RNA) where: Base-Base interactions energy: -453.426 where: short stacking energy: -237.737 Base-Backbone interact. energy: -3.567 local terms energy: -375.774947 where: bonds (distance) C4'-P energy: -100.815 bonds (distance) P-C4' energy: -101.955 flat angles C4'-P-C4' energy: -86.997 flat angles P-C4'-P energy: -58.132 tors. eta vs tors. theta energy: -27.876 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: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2267.940380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.940380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.940380 (E_RNA) where: Base-Base interactions energy: -1594.084 where: short stacking energy: -656.062 Base-Backbone interact. energy: -5.240 local terms energy: -668.616375 where: bonds (distance) C4'-P energy: -120.843 bonds (distance) P-C4' energy: -124.255 flat angles C4'-P-C4' energy: -135.237 flat angles P-C4'-P energy: -97.964 tors. eta vs tors. theta energy: -190.317 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: 2, replica: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2125.818601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.818601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.818601 (E_RNA) where: Base-Base interactions energy: -1451.883 where: short stacking energy: -634.517 Base-Backbone interact. energy: -3.736 local terms energy: -670.199771 where: bonds (distance) C4'-P energy: -136.528 bonds (distance) P-C4' energy: -117.616 flat angles C4'-P-C4' energy: -131.544 flat angles P-C4'-P energy: -91.504 tors. eta vs tors. theta energy: -193.007 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: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2147.400719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.400719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.400719 (E_RNA) where: Base-Base interactions energy: -1534.828 where: short stacking energy: -601.019 Base-Backbone interact. energy: 3.889 local terms energy: -616.461100 where: bonds (distance) C4'-P energy: -115.715 bonds (distance) P-C4' energy: -120.256 flat angles C4'-P-C4' energy: -126.965 flat angles P-C4'-P energy: -82.562 tors. eta vs tors. theta energy: -170.964 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: 4 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1924.874903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.874903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.874903 (E_RNA) where: Base-Base interactions energy: -1310.110 where: short stacking energy: -527.494 Base-Backbone interact. energy: -2.537 local terms energy: -612.228476 where: bonds (distance) C4'-P energy: -111.600 bonds (distance) P-C4' energy: -127.011 flat angles C4'-P-C4' energy: -140.415 flat angles P-C4'-P energy: -81.249 tors. eta vs tors. theta energy: -151.953 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: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1842.179285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.179285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.179285 (E_RNA) where: Base-Base interactions energy: -1236.540 where: short stacking energy: -517.263 Base-Backbone interact. energy: -1.768 local terms energy: -603.871301 where: bonds (distance) C4'-P energy: -113.235 bonds (distance) P-C4' energy: -128.586 flat angles C4'-P-C4' energy: -127.669 flat angles P-C4'-P energy: -72.700 tors. eta vs tors. theta energy: -161.682 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: 9 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1589.568223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.568223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.568223 (E_RNA) where: Base-Base interactions energy: -1056.502 where: short stacking energy: -457.082 Base-Backbone interact. energy: -0.162 local terms energy: -532.904242 where: bonds (distance) C4'-P energy: -94.600 bonds (distance) P-C4' energy: -107.751 flat angles C4'-P-C4' energy: -121.576 flat angles P-C4'-P energy: -90.034 tors. eta vs tors. theta energy: -118.943 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: 7, replica: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1477.842801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.842801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.842801 (E_RNA) where: Base-Base interactions energy: -976.862 where: short stacking energy: -432.645 Base-Backbone interact. energy: -3.853 local terms energy: -497.127327 where: bonds (distance) C4'-P energy: -107.164 bonds (distance) P-C4' energy: -103.543 flat angles C4'-P-C4' energy: -114.201 flat angles P-C4'-P energy: -65.648 tors. eta vs tors. theta energy: -106.571 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: 8, replica: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1211.331672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.331672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.331672 (E_RNA) where: Base-Base interactions energy: -752.979 where: short stacking energy: -369.906 Base-Backbone interact. energy: -2.097 local terms energy: -456.255918 where: bonds (distance) C4'-P energy: -116.010 bonds (distance) P-C4' energy: -104.757 flat angles C4'-P-C4' energy: -98.654 flat angles P-C4'-P energy: -63.424 tors. eta vs tors. theta energy: -73.411 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: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -882.669124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.669124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.669124 (E_RNA) where: Base-Base interactions energy: -490.405 where: short stacking energy: -259.249 Base-Backbone interact. energy: -0.783 local terms energy: -391.480944 where: bonds (distance) C4'-P energy: -106.518 bonds (distance) P-C4' energy: -108.205 flat angles C4'-P-C4' energy: -82.183 flat angles P-C4'-P energy: -64.869 tors. eta vs tors. theta energy: -29.706 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: 10, replica: 3 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -795.472047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.472047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.472047 (E_RNA) where: Base-Base interactions energy: -451.133 where: short stacking energy: -214.215 Base-Backbone interact. energy: -0.626 local terms energy: -343.713300 where: bonds (distance) C4'-P energy: -75.881 bonds (distance) P-C4' energy: -104.759 flat angles C4'-P-C4' energy: -89.698 flat angles P-C4'-P energy: -52.857 tors. eta vs tors. theta energy: -20.517 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: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2264.789184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.789184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.789184 (E_RNA) where: Base-Base interactions energy: -1584.229 where: short stacking energy: -649.482 Base-Backbone interact. energy: -0.010 local terms energy: -680.550386 where: bonds (distance) C4'-P energy: -131.674 bonds (distance) P-C4' energy: -123.395 flat angles C4'-P-C4' energy: -149.895 flat angles P-C4'-P energy: -97.709 tors. eta vs tors. theta energy: -177.877 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: 2, replica: 7 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2167.968786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.968786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.968786 (E_RNA) where: Base-Base interactions energy: -1485.018 where: short stacking energy: -625.515 Base-Backbone interact. energy: -3.975 local terms energy: -678.976488 where: bonds (distance) C4'-P energy: -123.397 bonds (distance) P-C4' energy: -130.984 flat angles C4'-P-C4' energy: -139.776 flat angles P-C4'-P energy: -89.183 tors. eta vs tors. theta energy: -195.636 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: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2095.796723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.796723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.796723 (E_RNA) where: Base-Base interactions energy: -1447.626 where: short stacking energy: -575.696 Base-Backbone interact. energy: -3.882 local terms energy: -644.289166 where: bonds (distance) C4'-P energy: -118.919 bonds (distance) P-C4' energy: -123.017 flat angles C4'-P-C4' energy: -137.438 flat angles P-C4'-P energy: -101.780 tors. eta vs tors. theta energy: -163.135 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: 4 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1934.087467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.087467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.087467 (E_RNA) where: Base-Base interactions energy: -1321.717 where: short stacking energy: -577.613 Base-Backbone interact. energy: -1.439 local terms energy: -610.931228 where: bonds (distance) C4'-P energy: -100.674 bonds (distance) P-C4' energy: -128.285 flat angles C4'-P-C4' energy: -136.626 flat angles P-C4'-P energy: -80.358 tors. eta vs tors. theta energy: -164.988 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: 5, replica: 6 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1856.968070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.968070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.968070 (E_RNA) where: Base-Base interactions energy: -1279.445 where: short stacking energy: -544.036 Base-Backbone interact. energy: -0.340 local terms energy: -577.182621 where: bonds (distance) C4'-P energy: -110.595 bonds (distance) P-C4' energy: -105.271 flat angles C4'-P-C4' energy: -129.297 flat angles P-C4'-P energy: -87.751 tors. eta vs tors. theta energy: -144.269 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: 6, replica: 9 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1591.888543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.888543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.888543 (E_RNA) where: Base-Base interactions energy: -1064.110 where: short stacking energy: -467.161 Base-Backbone interact. energy: -2.026 local terms energy: -525.752224 where: bonds (distance) C4'-P energy: -103.501 bonds (distance) P-C4' energy: -91.762 flat angles C4'-P-C4' energy: -127.467 flat angles P-C4'-P energy: -75.327 tors. eta vs tors. theta energy: -127.695 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: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1454.406150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.406150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.406150 (E_RNA) where: Base-Base interactions energy: -954.785 where: short stacking energy: -387.965 Base-Backbone interact. energy: -1.551 local terms energy: -498.070336 where: bonds (distance) C4'-P energy: -108.009 bonds (distance) P-C4' energy: -107.510 flat angles C4'-P-C4' energy: -120.689 flat angles P-C4'-P energy: -74.776 tors. eta vs tors. theta energy: -87.086 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: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1231.524304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.524304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.524304 (E_RNA) where: Base-Base interactions energy: -795.207 where: short stacking energy: -360.544 Base-Backbone interact. energy: 2.949 local terms energy: -439.266225 where: bonds (distance) C4'-P energy: -85.761 bonds (distance) P-C4' energy: -98.710 flat angles C4'-P-C4' energy: -105.645 flat angles P-C4'-P energy: -80.908 tors. eta vs tors. theta energy: -68.243 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: 9, replica: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -950.054610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.054610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.054610 (E_RNA) where: Base-Base interactions energy: -568.255 where: short stacking energy: -265.983 Base-Backbone interact. energy: -1.445 local terms energy: -380.355438 where: bonds (distance) C4'-P energy: -84.203 bonds (distance) P-C4' energy: -110.234 flat angles C4'-P-C4' energy: -100.020 flat angles P-C4'-P energy: -55.113 tors. eta vs tors. theta energy: -30.786 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: 3 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -783.750150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.750150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.750150 (E_RNA) where: Base-Base interactions energy: -454.824 where: short stacking energy: -232.606 Base-Backbone interact. energy: 11.464 local terms energy: -340.390125 where: bonds (distance) C4'-P energy: -84.538 bonds (distance) P-C4' energy: -96.783 flat angles C4'-P-C4' energy: -90.592 flat angles P-C4'-P energy: -58.228 tors. eta vs tors. theta energy: -10.249 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: 1, replica: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2276.036021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.036021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.036021 (E_RNA) where: Base-Base interactions energy: -1595.204 where: short stacking energy: -639.597 Base-Backbone interact. energy: 1.293 local terms energy: -682.124736 where: bonds (distance) C4'-P energy: -118.399 bonds (distance) P-C4' energy: -136.092 flat angles C4'-P-C4' energy: -146.281 flat angles P-C4'-P energy: -97.263 tors. eta vs tors. theta energy: -184.091 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: 2, replica: 7 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2174.618030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.618030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.618030 (E_RNA) where: Base-Base interactions energy: -1497.470 where: short stacking energy: -647.549 Base-Backbone interact. energy: -3.527 local terms energy: -673.620981 where: bonds (distance) C4'-P energy: -115.054 bonds (distance) P-C4' energy: -136.210 flat angles C4'-P-C4' energy: -136.995 flat angles P-C4'-P energy: -88.836 tors. eta vs tors. theta energy: -196.525 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: 3, replica: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2074.866823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.866823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.866823 (E_RNA) where: Base-Base interactions energy: -1462.876 where: short stacking energy: -585.894 Base-Backbone interact. energy: -3.724 local terms energy: -608.266875 where: bonds (distance) C4'-P energy: -115.328 bonds (distance) P-C4' energy: -123.872 flat angles C4'-P-C4' energy: -126.741 flat angles P-C4'-P energy: -83.363 tors. eta vs tors. theta energy: -158.964 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: 4 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1902.373298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.373298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.373298 (E_RNA) where: Base-Base interactions energy: -1313.542 where: short stacking energy: -530.432 Base-Backbone interact. energy: -0.454 local terms energy: -588.377219 where: bonds (distance) C4'-P energy: -114.231 bonds (distance) P-C4' energy: -104.743 flat angles C4'-P-C4' energy: -127.247 flat angles P-C4'-P energy: -87.133 tors. eta vs tors. theta energy: -155.023 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: 5, replica: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1837.099741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.099741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.099741 (E_RNA) where: Base-Base interactions energy: -1241.983 where: short stacking energy: -528.329 Base-Backbone interact. energy: -3.378 local terms energy: -591.738427 where: bonds (distance) C4'-P energy: -109.214 bonds (distance) P-C4' energy: -131.092 flat angles C4'-P-C4' energy: -129.787 flat angles P-C4'-P energy: -70.552 tors. eta vs tors. theta energy: -151.093 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: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1621.180129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.180129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.180129 (E_RNA) where: Base-Base interactions energy: -1069.988 where: short stacking energy: -476.046 Base-Backbone interact. energy: 0.336 local terms energy: -551.528367 where: bonds (distance) C4'-P energy: -101.916 bonds (distance) P-C4' energy: -113.754 flat angles C4'-P-C4' energy: -123.516 flat angles P-C4'-P energy: -77.065 tors. eta vs tors. theta energy: -135.278 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: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1415.736009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.736009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.736009 (E_RNA) where: Base-Base interactions energy: -932.000 where: short stacking energy: -413.563 Base-Backbone interact. energy: -2.014 local terms energy: -481.721648 where: bonds (distance) C4'-P energy: -109.359 bonds (distance) P-C4' energy: -85.619 flat angles C4'-P-C4' energy: -119.570 flat angles P-C4'-P energy: -73.816 tors. eta vs tors. theta energy: -93.357 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: 2 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1206.500710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.500710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.500710 (E_RNA) where: Base-Base interactions energy: -755.269 where: short stacking energy: -312.023 Base-Backbone interact. energy: 0.096 local terms energy: -451.328112 where: bonds (distance) C4'-P energy: -95.360 bonds (distance) P-C4' energy: -121.034 flat angles C4'-P-C4' energy: -100.827 flat angles P-C4'-P energy: -72.605 tors. eta vs tors. theta energy: -61.503 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: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -905.087005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.087005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.087005 (E_RNA) where: Base-Base interactions energy: -527.461 where: short stacking energy: -271.989 Base-Backbone interact. energy: -1.229 local terms energy: -376.396959 where: bonds (distance) C4'-P energy: -101.395 bonds (distance) P-C4' energy: -90.405 flat angles C4'-P-C4' energy: -95.791 flat angles P-C4'-P energy: -59.565 tors. eta vs tors. theta energy: -29.241 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: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -761.876881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.876881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.876881 (E_RNA) where: Base-Base interactions energy: -417.900 where: short stacking energy: -182.983 Base-Backbone interact. energy: 3.895 local terms energy: -347.871150 where: bonds (distance) C4'-P energy: -101.429 bonds (distance) P-C4' energy: -111.223 flat angles C4'-P-C4' energy: -85.166 flat angles P-C4'-P energy: -52.556 tors. eta vs tors. theta energy: 2.503 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: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2280.772720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.772720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.772720 (E_RNA) where: Base-Base interactions energy: -1613.877 where: short stacking energy: -682.184 Base-Backbone interact. energy: -0.094 local terms energy: -666.801406 where: bonds (distance) C4'-P energy: -116.944 bonds (distance) P-C4' energy: -114.885 flat angles C4'-P-C4' energy: -142.294 flat angles P-C4'-P energy: -99.339 tors. eta vs tors. theta energy: -193.339 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: 7 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2182.438367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.438367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.438367 (E_RNA) where: Base-Base interactions energy: -1494.764 where: short stacking energy: -654.233 Base-Backbone interact. energy: -1.731 local terms energy: -685.943112 where: bonds (distance) C4'-P energy: -122.719 bonds (distance) P-C4' energy: -123.266 flat angles C4'-P-C4' energy: -136.914 flat angles P-C4'-P energy: -101.028 tors. eta vs tors. theta energy: -202.016 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: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2128.326732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.326732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.326732 (E_RNA) where: Base-Base interactions energy: -1511.923 where: short stacking energy: -593.757 Base-Backbone interact. energy: -2.868 local terms energy: -613.536009 where: bonds (distance) C4'-P energy: -121.575 bonds (distance) P-C4' energy: -113.804 flat angles C4'-P-C4' energy: -128.552 flat angles P-C4'-P energy: -87.293 tors. eta vs tors. theta energy: -162.312 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: 4 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1904.754982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.754982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.754982 (E_RNA) where: Base-Base interactions energy: -1307.361 where: short stacking energy: -510.417 Base-Backbone interact. energy: 3.656 local terms energy: -601.049909 where: bonds (distance) C4'-P energy: -102.263 bonds (distance) P-C4' energy: -117.684 flat angles C4'-P-C4' energy: -138.977 flat angles P-C4'-P energy: -90.525 tors. eta vs tors. theta energy: -151.601 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: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1864.525316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.525316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.525316 (E_RNA) where: Base-Base interactions energy: -1271.972 where: short stacking energy: -553.346 Base-Backbone interact. energy: -2.594 local terms energy: -589.960082 where: bonds (distance) C4'-P energy: -101.809 bonds (distance) P-C4' energy: -111.814 flat angles C4'-P-C4' energy: -127.872 flat angles P-C4'-P energy: -88.724 tors. eta vs tors. theta energy: -159.741 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: 6, replica: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1652.301094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.301094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.301094 (E_RNA) where: Base-Base interactions energy: -1084.493 where: short stacking energy: -493.480 Base-Backbone interact. energy: 0.604 local terms energy: -568.412085 where: bonds (distance) C4'-P energy: -101.856 bonds (distance) P-C4' energy: -106.301 flat angles C4'-P-C4' energy: -125.598 flat angles P-C4'-P energy: -86.542 tors. eta vs tors. theta energy: -148.115 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: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1485.009870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.009870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.009870 (E_RNA) where: Base-Base interactions energy: -1009.413 where: short stacking energy: -408.936 Base-Backbone interact. energy: -2.682 local terms energy: -472.914253 where: bonds (distance) C4'-P energy: -94.459 bonds (distance) P-C4' energy: -105.119 flat angles C4'-P-C4' energy: -117.080 flat angles P-C4'-P energy: -63.897 tors. eta vs tors. theta energy: -92.358 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: 2 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1184.500966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.500966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.500966 (E_RNA) where: Base-Base interactions energy: -743.691 where: short stacking energy: -346.432 Base-Backbone interact. energy: 1.660 local terms energy: -442.470319 where: bonds (distance) C4'-P energy: -72.300 bonds (distance) P-C4' energy: -104.366 flat angles C4'-P-C4' energy: -102.168 flat angles P-C4'-P energy: -92.310 tors. eta vs tors. theta energy: -71.326 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: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -840.167806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.167806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.167806 (E_RNA) where: Base-Base interactions energy: -480.291 where: short stacking energy: -244.911 Base-Backbone interact. energy: -1.301 local terms energy: -358.576432 where: bonds (distance) C4'-P energy: -99.265 bonds (distance) P-C4' energy: -101.136 flat angles C4'-P-C4' energy: -79.806 flat angles P-C4'-P energy: -68.530 tors. eta vs tors. theta energy: -9.839 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: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -792.245792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.245792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.245792 (E_RNA) where: Base-Base interactions energy: -435.803 where: short stacking energy: -241.540 Base-Backbone interact. energy: 3.761 local terms energy: -360.203474 where: bonds (distance) C4'-P energy: -94.461 bonds (distance) P-C4' energy: -101.635 flat angles C4'-P-C4' energy: -96.631 flat angles P-C4'-P energy: -51.314 tors. eta vs tors. theta energy: -16.163 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: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2266.510198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.510198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.510198 (E_RNA) where: Base-Base interactions energy: -1565.165 where: short stacking energy: -655.552 Base-Backbone interact. energy: -2.652 local terms energy: -698.693644 where: bonds (distance) C4'-P energy: -116.157 bonds (distance) P-C4' energy: -136.012 flat angles C4'-P-C4' energy: -152.766 flat angles P-C4'-P energy: -106.219 tors. eta vs tors. theta energy: -187.540 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: 2, replica: 7 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2188.610424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.610424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.610424 (E_RNA) where: Base-Base interactions energy: -1515.347 where: short stacking energy: -649.244 Base-Backbone interact. energy: -0.816 local terms energy: -672.447523 where: bonds (distance) C4'-P energy: -123.401 bonds (distance) P-C4' energy: -125.127 flat angles C4'-P-C4' energy: -144.093 flat angles P-C4'-P energy: -84.376 tors. eta vs tors. theta energy: -195.450 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: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2146.645256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.645256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.645256 (E_RNA) where: Base-Base interactions energy: -1495.806 where: short stacking energy: -613.140 Base-Backbone interact. energy: 0.485 local terms energy: -651.324576 where: bonds (distance) C4'-P energy: -122.397 bonds (distance) P-C4' energy: -129.733 flat angles C4'-P-C4' energy: -123.799 flat angles P-C4'-P energy: -90.998 tors. eta vs tors. theta energy: -184.398 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: 4, replica: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1933.299278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.299278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.299278 (E_RNA) where: Base-Base interactions energy: -1348.945 where: short stacking energy: -600.142 Base-Backbone interact. energy: -4.384 local terms energy: -579.969846 where: bonds (distance) C4'-P energy: -89.037 bonds (distance) P-C4' energy: -121.412 flat angles C4'-P-C4' energy: -128.352 flat angles P-C4'-P energy: -73.867 tors. eta vs tors. theta energy: -167.301 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: 5, replica: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1860.502189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.502189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.502189 (E_RNA) where: Base-Base interactions energy: -1276.732 where: short stacking energy: -553.645 Base-Backbone interact. energy: -1.670 local terms energy: -582.100005 where: bonds (distance) C4'-P energy: -108.688 bonds (distance) P-C4' energy: -110.748 flat angles C4'-P-C4' energy: -116.708 flat angles P-C4'-P energy: -81.352 tors. eta vs tors. theta energy: -164.604 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: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1598.066176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.066176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.066176 (E_RNA) where: Base-Base interactions energy: -1083.168 where: short stacking energy: -466.603 Base-Backbone interact. energy: -0.775 local terms energy: -514.124008 where: bonds (distance) C4'-P energy: -72.023 bonds (distance) P-C4' energy: -107.372 flat angles C4'-P-C4' energy: -127.539 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: -131.578 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: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1537.758300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.758300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.758300 (E_RNA) where: Base-Base interactions energy: -1065.089 where: short stacking energy: -444.572 Base-Backbone interact. energy: -5.644 local terms energy: -467.025130 where: bonds (distance) C4'-P energy: -88.046 bonds (distance) P-C4' energy: -104.270 flat angles C4'-P-C4' energy: -109.066 flat angles P-C4'-P energy: -57.102 tors. eta vs tors. theta energy: -108.541 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: 8, replica: 2 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1173.950214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.950214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.950214 (E_RNA) where: Base-Base interactions energy: -721.508 where: short stacking energy: -325.709 Base-Backbone interact. energy: 0.409 local terms energy: -452.851547 where: bonds (distance) C4'-P energy: -89.354 bonds (distance) P-C4' energy: -110.760 flat angles C4'-P-C4' energy: -121.808 flat angles P-C4'-P energy: -75.714 tors. eta vs tors. theta energy: -55.215 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: 9, replica: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -861.995287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.995287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.995287 (E_RNA) where: Base-Base interactions energy: -496.329 where: short stacking energy: -242.425 Base-Backbone interact. energy: -1.637 local terms energy: -364.029499 where: bonds (distance) C4'-P energy: -97.092 bonds (distance) P-C4' energy: -106.579 flat angles C4'-P-C4' energy: -86.560 flat angles P-C4'-P energy: -51.882 tors. eta vs tors. theta energy: -21.917 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: 10, replica: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -785.887515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.887515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.887515 (E_RNA) where: Base-Base interactions energy: -447.634 where: short stacking energy: -233.210 Base-Backbone interact. energy: 2.160 local terms energy: -340.412918 where: bonds (distance) C4'-P energy: -87.469 bonds (distance) P-C4' energy: -109.284 flat angles C4'-P-C4' energy: -95.971 flat angles P-C4'-P energy: -45.398 tors. eta vs tors. theta energy: -2.291 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: 345 Temperature: 0.900000 Total energy: -2290.821455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.821455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.821455 (E_RNA) where: Base-Base interactions energy: -1592.564 where: short stacking energy: -658.785 Base-Backbone interact. energy: -0.179 local terms energy: -698.078147 where: bonds (distance) C4'-P energy: -135.134 bonds (distance) P-C4' energy: -123.790 flat angles C4'-P-C4' energy: -147.965 flat angles P-C4'-P energy: -89.063 tors. eta vs tors. theta energy: -202.125 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: 7 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2194.510049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.510049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.510049 (E_RNA) where: Base-Base interactions energy: -1502.249 where: short stacking energy: -634.079 Base-Backbone interact. energy: -2.599 local terms energy: -689.662279 where: bonds (distance) C4'-P energy: -126.875 bonds (distance) P-C4' energy: -122.277 flat angles C4'-P-C4' energy: -149.998 flat angles P-C4'-P energy: -92.359 tors. eta vs tors. theta energy: -198.153 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: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2124.365023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.365023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.365023 (E_RNA) where: Base-Base interactions energy: -1487.099 where: short stacking energy: -626.090 Base-Backbone interact. energy: -4.877 local terms energy: -632.388190 where: bonds (distance) C4'-P energy: -107.367 bonds (distance) P-C4' energy: -126.395 flat angles C4'-P-C4' energy: -136.888 flat angles P-C4'-P energy: -83.396 tors. eta vs tors. theta energy: -178.342 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: 4 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1933.292243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.292243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.292243 (E_RNA) where: Base-Base interactions energy: -1320.164 where: short stacking energy: -585.245 Base-Backbone interact. energy: -1.044 local terms energy: -612.083786 where: bonds (distance) C4'-P energy: -119.752 bonds (distance) P-C4' energy: -118.765 flat angles C4'-P-C4' energy: -126.005 flat angles P-C4'-P energy: -85.200 tors. eta vs tors. theta energy: -162.362 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: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1832.435556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.435556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.435556 (E_RNA) where: Base-Base interactions energy: -1238.290 where: short stacking energy: -524.519 Base-Backbone interact. energy: -3.764 local terms energy: -590.381471 where: bonds (distance) C4'-P energy: -112.497 bonds (distance) P-C4' energy: -101.101 flat angles C4'-P-C4' energy: -141.960 flat angles P-C4'-P energy: -91.122 tors. eta vs tors. theta energy: -143.702 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: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1575.619208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.619208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.619208 (E_RNA) where: Base-Base interactions energy: -1036.061 where: short stacking energy: -448.518 Base-Backbone interact. energy: -0.487 local terms energy: -539.071380 where: bonds (distance) C4'-P energy: -104.402 bonds (distance) P-C4' energy: -113.675 flat angles C4'-P-C4' energy: -118.533 flat angles P-C4'-P energy: -75.403 tors. eta vs tors. theta energy: -127.058 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: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1489.392276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.392276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.392276 (E_RNA) where: Base-Base interactions energy: -1013.957 where: short stacking energy: -451.328 Base-Backbone interact. energy: 2.626 local terms energy: -478.061231 where: bonds (distance) C4'-P energy: -81.979 bonds (distance) P-C4' energy: -104.799 flat angles C4'-P-C4' energy: -120.478 flat angles P-C4'-P energy: -66.952 tors. eta vs tors. theta energy: -103.853 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: 8, replica: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1173.415795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.415795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.415795 (E_RNA) where: Base-Base interactions energy: -751.264 where: short stacking energy: -338.964 Base-Backbone interact. energy: -1.090 local terms energy: -421.061845 where: bonds (distance) C4'-P energy: -86.416 bonds (distance) P-C4' energy: -107.182 flat angles C4'-P-C4' energy: -119.621 flat angles P-C4'-P energy: -45.041 tors. eta vs tors. theta energy: -62.802 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: 9, replica: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -868.931027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.931027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.931027 (E_RNA) where: Base-Base interactions energy: -465.880 where: short stacking energy: -223.028 Base-Backbone interact. energy: -2.331 local terms energy: -400.720066 where: bonds (distance) C4'-P energy: -111.772 bonds (distance) P-C4' energy: -105.015 flat angles C4'-P-C4' energy: -96.824 flat angles P-C4'-P energy: -66.813 tors. eta vs tors. theta energy: -20.296 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: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -785.053654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.053654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.053654 (E_RNA) where: Base-Base interactions energy: -425.356 where: short stacking energy: -204.954 Base-Backbone interact. energy: 2.247 local terms energy: -361.944465 where: bonds (distance) C4'-P energy: -104.345 bonds (distance) P-C4' energy: -97.476 flat angles C4'-P-C4' energy: -99.700 flat angles P-C4'-P energy: -37.129 tors. eta vs tors. theta energy: -23.295 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: 1, replica: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2292.669451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.669451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.669451 (E_RNA) where: Base-Base interactions energy: -1590.716 where: short stacking energy: -656.629 Base-Backbone interact. energy: -3.208 local terms energy: -698.745003 where: bonds (distance) C4'-P energy: -120.931 bonds (distance) P-C4' energy: -136.589 flat angles C4'-P-C4' energy: -149.640 flat angles P-C4'-P energy: -95.181 tors. eta vs tors. theta energy: -196.403 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: 2, replica: 7 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2208.678024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.678024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.678024 (E_RNA) where: Base-Base interactions energy: -1514.631 where: short stacking energy: -659.879 Base-Backbone interact. energy: -4.166 local terms energy: -689.880439 where: bonds (distance) C4'-P energy: -121.755 bonds (distance) P-C4' energy: -126.376 flat angles C4'-P-C4' energy: -143.890 flat angles P-C4'-P energy: -98.351 tors. eta vs tors. theta energy: -199.508 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: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2130.764520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.764520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.764520 (E_RNA) where: Base-Base interactions energy: -1508.941 where: short stacking energy: -594.284 Base-Backbone interact. energy: -0.816 local terms energy: -621.007440 where: bonds (distance) C4'-P energy: -87.091 bonds (distance) P-C4' energy: -123.450 flat angles C4'-P-C4' energy: -142.756 flat angles P-C4'-P energy: -93.061 tors. eta vs tors. theta energy: -174.650 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: 4, replica: 4 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1968.716660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.716660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.716660 (E_RNA) where: Base-Base interactions energy: -1375.895 where: short stacking energy: -607.366 Base-Backbone interact. energy: 1.299 local terms energy: -594.121179 where: bonds (distance) C4'-P energy: -95.877 bonds (distance) P-C4' energy: -109.778 flat angles C4'-P-C4' energy: -131.925 flat angles P-C4'-P energy: -84.714 tors. eta vs tors. theta energy: -171.828 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: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1801.847856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.847856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.847856 (E_RNA) where: Base-Base interactions energy: -1239.147 where: short stacking energy: -514.739 Base-Backbone interact. energy: -2.267 local terms energy: -560.433050 where: bonds (distance) C4'-P energy: -98.716 bonds (distance) P-C4' energy: -106.218 flat angles C4'-P-C4' energy: -131.291 flat angles P-C4'-P energy: -77.842 tors. eta vs tors. theta energy: -146.366 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: 9 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1601.229901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.229901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.229901 (E_RNA) where: Base-Base interactions energy: -1070.693 where: short stacking energy: -467.826 Base-Backbone interact. energy: -0.322 local terms energy: -530.215512 where: bonds (distance) C4'-P energy: -97.189 bonds (distance) P-C4' energy: -115.193 flat angles C4'-P-C4' energy: -135.258 flat angles P-C4'-P energy: -60.915 tors. eta vs tors. theta energy: -121.659 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: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1467.183072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.183072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.183072 (E_RNA) where: Base-Base interactions energy: -944.547 where: short stacking energy: -422.361 Base-Backbone interact. energy: -0.245 local terms energy: -522.390952 where: bonds (distance) C4'-P energy: -128.297 bonds (distance) P-C4' energy: -120.335 flat angles C4'-P-C4' energy: -98.530 flat angles P-C4'-P energy: -68.868 tors. eta vs tors. theta energy: -106.360 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: 8, replica: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1160.319404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.319404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.319404 (E_RNA) where: Base-Base interactions energy: -720.005 where: short stacking energy: -337.719 Base-Backbone interact. energy: 0.318 local terms energy: -440.632208 where: bonds (distance) C4'-P energy: -99.624 bonds (distance) P-C4' energy: -106.863 flat angles C4'-P-C4' energy: -102.848 flat angles P-C4'-P energy: -75.871 tors. eta vs tors. theta energy: -55.427 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: 9, replica: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -898.047762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.047762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.047762 (E_RNA) where: Base-Base interactions energy: -527.691 where: short stacking energy: -260.929 Base-Backbone interact. energy: -1.460 local terms energy: -368.897322 where: bonds (distance) C4'-P energy: -103.478 bonds (distance) P-C4' energy: -100.908 flat angles C4'-P-C4' energy: -90.486 flat angles P-C4'-P energy: -35.452 tors. eta vs tors. theta energy: -38.573 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: 3 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -770.683021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.683021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.683021 (E_RNA) where: Base-Base interactions energy: -407.936 where: short stacking energy: -220.330 Base-Backbone interact. energy: -0.840 local terms energy: -361.907258 where: bonds (distance) C4'-P energy: -106.822 bonds (distance) P-C4' energy: -98.303 flat angles C4'-P-C4' energy: -95.848 flat angles P-C4'-P energy: -45.084 tors. eta vs tors. theta energy: -15.850 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: 1, replica: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2244.430025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.430025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.430025 (E_RNA) where: Base-Base interactions energy: -1578.716 where: short stacking energy: -644.723 Base-Backbone interact. energy: -2.736 local terms energy: -662.978599 where: bonds (distance) C4'-P energy: -114.733 bonds (distance) P-C4' energy: -118.752 flat angles C4'-P-C4' energy: -144.589 flat angles P-C4'-P energy: -101.014 tors. eta vs tors. theta energy: -183.890 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: 2, replica: 7 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2199.046578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.046578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.046578 (E_RNA) where: Base-Base interactions energy: -1502.066 where: short stacking energy: -635.675 Base-Backbone interact. energy: -3.024 local terms energy: -693.956028 where: bonds (distance) C4'-P energy: -110.694 bonds (distance) P-C4' energy: -125.605 flat angles C4'-P-C4' energy: -158.942 flat angles P-C4'-P energy: -91.217 tors. eta vs tors. theta energy: -207.499 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: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2152.972274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.972274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.972274 (E_RNA) where: Base-Base interactions energy: -1490.132 where: short stacking energy: -585.541 Base-Backbone interact. energy: -2.779 local terms energy: -660.060427 where: bonds (distance) C4'-P energy: -121.496 bonds (distance) P-C4' energy: -113.806 flat angles C4'-P-C4' energy: -145.858 flat angles P-C4'-P energy: -107.676 tors. eta vs tors. theta energy: -171.224 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: 4 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1949.480488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.480488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.480488 (E_RNA) where: Base-Base interactions energy: -1324.182 where: short stacking energy: -555.321 Base-Backbone interact. energy: -3.858 local terms energy: -621.440373 where: bonds (distance) C4'-P energy: -106.429 bonds (distance) P-C4' energy: -121.710 flat angles C4'-P-C4' energy: -145.084 flat angles P-C4'-P energy: -87.615 tors. eta vs tors. theta energy: -160.603 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: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1827.964296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.964296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.964296 (E_RNA) where: Base-Base interactions energy: -1253.534 where: short stacking energy: -546.349 Base-Backbone interact. energy: -0.317 local terms energy: -574.113619 where: bonds (distance) C4'-P energy: -103.629 bonds (distance) P-C4' energy: -116.962 flat angles C4'-P-C4' energy: -132.998 flat angles P-C4'-P energy: -79.063 tors. eta vs tors. theta energy: -141.461 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: 9 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1607.015039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.015039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.015039 (E_RNA) where: Base-Base interactions energy: -1095.919 where: short stacking energy: -477.862 Base-Backbone interact. energy: 8.704 local terms energy: -519.799811 where: bonds (distance) C4'-P energy: -111.635 bonds (distance) P-C4' energy: -102.639 flat angles C4'-P-C4' energy: -108.407 flat angles P-C4'-P energy: -65.628 tors. eta vs tors. theta energy: -131.491 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: 7, replica: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1445.187615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.187615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.187615 (E_RNA) where: Base-Base interactions energy: -957.248 where: short stacking energy: -426.117 Base-Backbone interact. energy: -0.802 local terms energy: -487.137871 where: bonds (distance) C4'-P energy: -98.101 bonds (distance) P-C4' energy: -106.610 flat angles C4'-P-C4' energy: -120.744 flat angles P-C4'-P energy: -75.763 tors. eta vs tors. theta energy: -85.920 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: 8, replica: 2 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1203.831858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.831858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.831858 (E_RNA) where: Base-Base interactions energy: -749.220 where: short stacking energy: -352.985 Base-Backbone interact. energy: -1.387 local terms energy: -453.224510 where: bonds (distance) C4'-P energy: -110.645 bonds (distance) P-C4' energy: -95.531 flat angles C4'-P-C4' energy: -92.872 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -78.770 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: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -908.381656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.381656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.381656 (E_RNA) where: Base-Base interactions energy: -507.347 where: short stacking energy: -230.600 Base-Backbone interact. energy: -4.653 local terms energy: -396.380986 where: bonds (distance) C4'-P energy: -110.196 bonds (distance) P-C4' energy: -111.127 flat angles C4'-P-C4' energy: -87.395 flat angles P-C4'-P energy: -57.339 tors. eta vs tors. theta energy: -30.324 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: 3 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -822.511136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.511136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.511136 (E_RNA) where: Base-Base interactions energy: -448.305 where: short stacking energy: -215.161 Base-Backbone interact. energy: 2.258 local terms energy: -376.464204 where: bonds (distance) C4'-P energy: -110.634 bonds (distance) P-C4' energy: -108.940 flat angles C4'-P-C4' energy: -91.250 flat angles P-C4'-P energy: -47.237 tors. eta vs tors. theta energy: -18.403 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: 1, replica: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2256.871640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.871640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.871640 (E_RNA) where: Base-Base interactions energy: -1591.374 where: short stacking energy: -686.291 Base-Backbone interact. energy: -3.478 local terms energy: -662.019894 where: bonds (distance) C4'-P energy: -111.715 bonds (distance) P-C4' energy: -122.424 flat angles C4'-P-C4' energy: -154.605 flat angles P-C4'-P energy: -80.952 tors. eta vs tors. theta energy: -192.325 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: 7 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2180.245172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.245172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.245172 (E_RNA) where: Base-Base interactions energy: -1491.560 where: short stacking energy: -631.895 Base-Backbone interact. energy: -4.589 local terms energy: -684.096571 where: bonds (distance) C4'-P energy: -132.109 bonds (distance) P-C4' energy: -129.229 flat angles C4'-P-C4' energy: -144.551 flat angles P-C4'-P energy: -79.336 tors. eta vs tors. theta energy: -198.872 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: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2143.170252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.170252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.170252 (E_RNA) where: Base-Base interactions energy: -1519.810 where: short stacking energy: -614.489 Base-Backbone interact. energy: -4.779 local terms energy: -618.581623 where: bonds (distance) C4'-P energy: -104.522 bonds (distance) P-C4' energy: -110.967 flat angles C4'-P-C4' energy: -139.222 flat angles P-C4'-P energy: -86.989 tors. eta vs tors. theta energy: -176.881 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: 4, replica: 4 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1905.293521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.293521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.293521 (E_RNA) where: Base-Base interactions energy: -1294.896 where: short stacking energy: -546.723 Base-Backbone interact. energy: 1.481 local terms energy: -611.878589 where: bonds (distance) C4'-P energy: -104.061 bonds (distance) P-C4' energy: -118.467 flat angles C4'-P-C4' energy: -138.292 flat angles P-C4'-P energy: -88.490 tors. eta vs tors. theta energy: -162.569 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: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1830.236446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.236446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.236446 (E_RNA) where: Base-Base interactions energy: -1264.166 where: short stacking energy: -528.974 Base-Backbone interact. energy: -4.324 local terms energy: -561.746335 where: bonds (distance) C4'-P energy: -105.587 bonds (distance) P-C4' energy: -108.826 flat angles C4'-P-C4' energy: -133.345 flat angles P-C4'-P energy: -78.565 tors. eta vs tors. theta energy: -135.424 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: 6, replica: 9 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1583.524692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.524692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.524692 (E_RNA) where: Base-Base interactions energy: -1058.348 where: short stacking energy: -482.916 Base-Backbone interact. energy: -2.533 local terms energy: -522.643709 where: bonds (distance) C4'-P energy: -106.006 bonds (distance) P-C4' energy: -96.928 flat angles C4'-P-C4' energy: -121.372 flat angles P-C4'-P energy: -64.429 tors. eta vs tors. theta energy: -133.909 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: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1443.492311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.492311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.492311 (E_RNA) where: Base-Base interactions energy: -956.713 where: short stacking energy: -413.012 Base-Backbone interact. energy: -0.708 local terms energy: -486.071934 where: bonds (distance) C4'-P energy: -105.986 bonds (distance) P-C4' energy: -99.453 flat angles C4'-P-C4' energy: -115.974 flat angles P-C4'-P energy: -67.534 tors. eta vs tors. theta energy: -97.126 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: 8, replica: 2 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1100.489308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.489308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.489308 (E_RNA) where: Base-Base interactions energy: -662.903 where: short stacking energy: -287.471 Base-Backbone interact. energy: -0.237 local terms energy: -437.349314 where: bonds (distance) C4'-P energy: -109.979 bonds (distance) P-C4' energy: -102.550 flat angles C4'-P-C4' energy: -100.287 flat angles P-C4'-P energy: -80.466 tors. eta vs tors. theta energy: -44.067 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: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -894.254069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.254069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.254069 (E_RNA) where: Base-Base interactions energy: -520.360 where: short stacking energy: -244.842 Base-Backbone interact. energy: -4.386 local terms energy: -369.508752 where: bonds (distance) C4'-P energy: -86.685 bonds (distance) P-C4' energy: -99.823 flat angles C4'-P-C4' energy: -102.708 flat angles P-C4'-P energy: -53.393 tors. eta vs tors. theta energy: -26.900 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: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -810.673239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.673239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.673239 (E_RNA) where: Base-Base interactions energy: -451.404 where: short stacking energy: -225.396 Base-Backbone interact. energy: -1.033 local terms energy: -358.236234 where: bonds (distance) C4'-P energy: -99.417 bonds (distance) P-C4' energy: -99.614 flat angles C4'-P-C4' energy: -78.159 flat angles P-C4'-P energy: -48.770 tors. eta vs tors. theta energy: -32.277 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: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2267.596463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.596463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.596463 (E_RNA) where: Base-Base interactions energy: -1596.385 where: short stacking energy: -677.632 Base-Backbone interact. energy: -3.937 local terms energy: -667.274645 where: bonds (distance) C4'-P energy: -126.472 bonds (distance) P-C4' energy: -112.143 flat angles C4'-P-C4' energy: -139.632 flat angles P-C4'-P energy: -90.922 tors. eta vs tors. theta energy: -198.106 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: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2188.989399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.989399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.989399 (E_RNA) where: Base-Base interactions energy: -1524.415 where: short stacking energy: -608.279 Base-Backbone interact. energy: -5.782 local terms energy: -658.792768 where: bonds (distance) C4'-P energy: -120.898 bonds (distance) P-C4' energy: -131.548 flat angles C4'-P-C4' energy: -132.615 flat angles P-C4'-P energy: -93.178 tors. eta vs tors. theta energy: -180.554 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: 3, replica: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2120.266723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.266723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.266723 (E_RNA) where: Base-Base interactions energy: -1454.715 where: short stacking energy: -581.758 Base-Backbone interact. energy: 0.073 local terms energy: -665.624528 where: bonds (distance) C4'-P energy: -120.244 bonds (distance) P-C4' energy: -120.323 flat angles C4'-P-C4' energy: -142.255 flat angles P-C4'-P energy: -92.434 tors. eta vs tors. theta energy: -190.368 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: 349 Temperature: 1.050000 Total energy: -1905.226166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.226166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.226166 (E_RNA) where: Base-Base interactions energy: -1324.487 where: short stacking energy: -571.576 Base-Backbone interact. energy: -2.891 local terms energy: -577.848236 where: bonds (distance) C4'-P energy: -101.244 bonds (distance) P-C4' energy: -108.750 flat angles C4'-P-C4' energy: -139.579 flat angles P-C4'-P energy: -81.501 tors. eta vs tors. theta energy: -146.773 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: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1817.945933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.945933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.945933 (E_RNA) where: Base-Base interactions energy: -1270.419 where: short stacking energy: -514.973 Base-Backbone interact. energy: -0.848 local terms energy: -546.678703 where: bonds (distance) C4'-P energy: -106.541 bonds (distance) P-C4' energy: -104.827 flat angles C4'-P-C4' energy: -122.944 flat angles P-C4'-P energy: -74.984 tors. eta vs tors. theta energy: -137.382 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: 6, replica: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1466.299206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.299206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.299206 (E_RNA) where: Base-Base interactions energy: -952.887 where: short stacking energy: -440.110 Base-Backbone interact. energy: -3.552 local terms energy: -509.859883 where: bonds (distance) C4'-P energy: -114.162 bonds (distance) P-C4' energy: -115.535 flat angles C4'-P-C4' energy: -106.492 flat angles P-C4'-P energy: -59.849 tors. eta vs tors. theta energy: -113.823 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: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1526.699019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.699019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.699019 (E_RNA) where: Base-Base interactions energy: -998.679 where: short stacking energy: -437.632 Base-Backbone interact. energy: -1.335 local terms energy: -526.685279 where: bonds (distance) C4'-P energy: -109.221 bonds (distance) P-C4' energy: -120.620 flat angles C4'-P-C4' energy: -114.325 flat angles P-C4'-P energy: -63.148 tors. eta vs tors. theta energy: -119.371 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: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1189.179758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.179758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.179758 (E_RNA) where: Base-Base interactions energy: -740.422 where: short stacking energy: -338.997 Base-Backbone interact. energy: -0.002 local terms energy: -448.756141 where: bonds (distance) C4'-P energy: -105.330 bonds (distance) P-C4' energy: -120.640 flat angles C4'-P-C4' energy: -100.188 flat angles P-C4'-P energy: -58.939 tors. eta vs tors. theta energy: -63.659 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: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -876.952407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.952407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.952407 (E_RNA) where: Base-Base interactions energy: -506.740 where: short stacking energy: -255.331 Base-Backbone interact. energy: -4.905 local terms energy: -365.307359 where: bonds (distance) C4'-P energy: -79.215 bonds (distance) P-C4' energy: -95.356 flat angles C4'-P-C4' energy: -97.492 flat angles P-C4'-P energy: -59.618 tors. eta vs tors. theta energy: -33.626 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: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -789.653001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.653001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.653001 (E_RNA) where: Base-Base interactions energy: -447.661 where: short stacking energy: -215.539 Base-Backbone interact. energy: -1.860 local terms energy: -340.131493 where: bonds (distance) C4'-P energy: -94.591 bonds (distance) P-C4' energy: -98.385 flat angles C4'-P-C4' energy: -94.884 flat angles P-C4'-P energy: -40.579 tors. eta vs tors. theta energy: -11.693 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: 350 Temperature: 0.900000 Total energy: -2261.004900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.004900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.004900 (E_RNA) where: Base-Base interactions energy: -1570.124 where: short stacking energy: -653.193 Base-Backbone interact. energy: -1.426 local terms energy: -689.455169 where: bonds (distance) C4'-P energy: -125.341 bonds (distance) P-C4' energy: -125.075 flat angles C4'-P-C4' energy: -143.328 flat angles P-C4'-P energy: -105.171 tors. eta vs tors. theta energy: -190.540 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: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2218.784613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.784613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.784613 (E_RNA) where: Base-Base interactions energy: -1541.588 where: short stacking energy: -624.592 Base-Backbone interact. energy: -7.699 local terms energy: -669.497683 where: bonds (distance) C4'-P energy: -126.739 bonds (distance) P-C4' energy: -127.144 flat angles C4'-P-C4' energy: -138.414 flat angles P-C4'-P energy: -88.901 tors. eta vs tors. theta energy: -188.299 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: 3, replica: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2097.612020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.612020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.612020 (E_RNA) where: Base-Base interactions energy: -1467.693 where: short stacking energy: -592.545 Base-Backbone interact. energy: -0.404 local terms energy: -629.514575 where: bonds (distance) C4'-P energy: -100.839 bonds (distance) P-C4' energy: -127.420 flat angles C4'-P-C4' energy: -128.455 flat angles P-C4'-P energy: -88.652 tors. eta vs tors. theta energy: -184.149 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: 4, replica: 4 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1943.026198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.026198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.026198 (E_RNA) where: Base-Base interactions energy: -1361.047 where: short stacking energy: -567.308 Base-Backbone interact. energy: -1.452 local terms energy: -580.527088 where: bonds (distance) C4'-P energy: -101.952 bonds (distance) P-C4' energy: -108.661 flat angles C4'-P-C4' energy: -137.272 flat angles P-C4'-P energy: -77.446 tors. eta vs tors. theta energy: -155.196 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: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1835.691717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.691717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.691717 (E_RNA) where: Base-Base interactions energy: -1234.019 where: short stacking energy: -525.941 Base-Backbone interact. energy: -3.218 local terms energy: -598.455002 where: bonds (distance) C4'-P energy: -118.187 bonds (distance) P-C4' energy: -112.506 flat angles C4'-P-C4' energy: -137.154 flat angles P-C4'-P energy: -82.423 tors. eta vs tors. theta energy: -148.185 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: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1565.725727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.725727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.725727 (E_RNA) where: Base-Base interactions energy: -1007.720 where: short stacking energy: -466.334 Base-Backbone interact. energy: -0.239 local terms energy: -557.766791 where: bonds (distance) C4'-P energy: -101.732 bonds (distance) P-C4' energy: -124.060 flat angles C4'-P-C4' energy: -120.518 flat angles P-C4'-P energy: -80.793 tors. eta vs tors. theta energy: -130.664 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: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1389.256045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.256045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.256045 (E_RNA) where: Base-Base interactions energy: -902.739 where: short stacking energy: -404.213 Base-Backbone interact. energy: -3.669 local terms energy: -482.848517 where: bonds (distance) C4'-P energy: -107.624 bonds (distance) P-C4' energy: -106.330 flat angles C4'-P-C4' energy: -103.195 flat angles P-C4'-P energy: -63.478 tors. eta vs tors. theta energy: -102.221 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: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1123.483993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.483993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.483993 (E_RNA) where: Base-Base interactions energy: -700.317 where: short stacking energy: -324.622 Base-Backbone interact. energy: -3.497 local terms energy: -419.670312 where: bonds (distance) C4'-P energy: -84.473 bonds (distance) P-C4' energy: -100.319 flat angles C4'-P-C4' energy: -107.417 flat angles P-C4'-P energy: -64.625 tors. eta vs tors. theta energy: -62.837 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: 9, replica: 3 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -841.458812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.458812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.458812 (E_RNA) where: Base-Base interactions energy: -468.633 where: short stacking energy: -246.786 Base-Backbone interact. energy: 2.943 local terms energy: -375.769436 where: bonds (distance) C4'-P energy: -102.203 bonds (distance) P-C4' energy: -106.019 flat angles C4'-P-C4' energy: -103.538 flat angles P-C4'-P energy: -44.071 tors. eta vs tors. theta energy: -19.939 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: 5 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -843.124938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.124938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.124938 (E_RNA) where: Base-Base interactions energy: -490.930 where: short stacking energy: -234.461 Base-Backbone interact. energy: -0.925 local terms energy: -351.270277 where: bonds (distance) C4'-P energy: -79.575 bonds (distance) P-C4' energy: -101.706 flat angles C4'-P-C4' energy: -97.725 flat angles P-C4'-P energy: -62.668 tors. eta vs tors. theta energy: -9.596 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: 1, replica: 10 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2270.871437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.871437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.871437 (E_RNA) where: Base-Base interactions energy: -1580.655 where: short stacking energy: -646.750 Base-Backbone interact. energy: -3.853 local terms energy: -686.362906 where: bonds (distance) C4'-P energy: -129.455 bonds (distance) P-C4' energy: -120.441 flat angles C4'-P-C4' energy: -152.103 flat angles P-C4'-P energy: -90.036 tors. eta vs tors. theta energy: -194.328 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: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2222.602642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.602642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.602642 (E_RNA) where: Base-Base interactions energy: -1555.655 where: short stacking energy: -619.829 Base-Backbone interact. energy: -2.191 local terms energy: -664.756967 where: bonds (distance) C4'-P energy: -124.639 bonds (distance) P-C4' energy: -121.579 flat angles C4'-P-C4' energy: -150.220 flat angles P-C4'-P energy: -89.368 tors. eta vs tors. theta energy: -178.950 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: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2118.656744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.656744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.656744 (E_RNA) where: Base-Base interactions energy: -1464.355 where: short stacking energy: -615.834 Base-Backbone interact. energy: -2.724 local terms energy: -651.577330 where: bonds (distance) C4'-P energy: -122.322 bonds (distance) P-C4' energy: -119.117 flat angles C4'-P-C4' energy: -143.614 flat angles P-C4'-P energy: -83.238 tors. eta vs tors. theta energy: -183.287 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: 4 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1952.618333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.618333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.618333 (E_RNA) where: Base-Base interactions energy: -1340.744 where: short stacking energy: -566.343 Base-Backbone interact. energy: -2.552 local terms energy: -609.322303 where: bonds (distance) C4'-P energy: -113.187 bonds (distance) P-C4' energy: -117.355 flat angles C4'-P-C4' energy: -125.868 flat angles P-C4'-P energy: -91.563 tors. eta vs tors. theta energy: -161.349 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: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1870.141958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.141958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.141958 (E_RNA) where: Base-Base interactions energy: -1282.352 where: short stacking energy: -547.472 Base-Backbone interact. energy: 2.232 local terms energy: -590.022666 where: bonds (distance) C4'-P energy: -103.167 bonds (distance) P-C4' energy: -120.342 flat angles C4'-P-C4' energy: -129.126 flat angles P-C4'-P energy: -83.265 tors. eta vs tors. theta energy: -154.122 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: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1530.250568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.250568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.250568 (E_RNA) where: Base-Base interactions energy: -1004.602 where: short stacking energy: -450.945 Base-Backbone interact. energy: -0.142 local terms energy: -525.507062 where: bonds (distance) C4'-P energy: -98.429 bonds (distance) P-C4' energy: -122.976 flat angles C4'-P-C4' energy: -110.199 flat angles P-C4'-P energy: -80.815 tors. eta vs tors. theta energy: -113.089 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: 7, replica: 9 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1457.623671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.623671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.623671 (E_RNA) where: Base-Base interactions energy: -962.480 where: short stacking energy: -432.767 Base-Backbone interact. energy: 0.314 local terms energy: -495.457138 where: bonds (distance) C4'-P energy: -96.319 bonds (distance) P-C4' energy: -102.691 flat angles C4'-P-C4' energy: -122.917 flat angles P-C4'-P energy: -75.200 tors. eta vs tors. theta energy: -98.330 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: 351 Temperature: 1.250000 Total energy: -1124.618542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.618542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.618542 (E_RNA) where: Base-Base interactions energy: -691.231 where: short stacking energy: -310.192 Base-Backbone interact. energy: 4.109 local terms energy: -437.496189 where: bonds (distance) C4'-P energy: -103.913 bonds (distance) P-C4' energy: -122.363 flat angles C4'-P-C4' energy: -94.520 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -66.795 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: 3 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -856.057477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.057477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.057477 (E_RNA) where: Base-Base interactions energy: -486.390 where: short stacking energy: -240.283 Base-Backbone interact. energy: -0.289 local terms energy: -369.378218 where: bonds (distance) C4'-P energy: -91.315 bonds (distance) P-C4' energy: -113.066 flat angles C4'-P-C4' energy: -96.138 flat angles P-C4'-P energy: -47.623 tors. eta vs tors. theta energy: -21.236 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: 10, replica: 5 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -790.101835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.101835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.101835 (E_RNA) where: Base-Base interactions energy: -461.479 where: short stacking energy: -218.948 Base-Backbone interact. energy: 3.822 local terms energy: -332.444121 where: bonds (distance) C4'-P energy: -98.244 bonds (distance) P-C4' energy: -89.732 flat angles C4'-P-C4' energy: -80.805 flat angles P-C4'-P energy: -64.633 tors. eta vs tors. theta energy: 0.969 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: 352 Temperature: 0.900000 Total energy: -2252.331399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.331399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.331399 (E_RNA) where: Base-Base interactions energy: -1560.736 where: short stacking energy: -656.011 Base-Backbone interact. energy: -4.586 local terms energy: -687.009431 where: bonds (distance) C4'-P energy: -118.195 bonds (distance) P-C4' energy: -122.467 flat angles C4'-P-C4' energy: -153.891 flat angles P-C4'-P energy: -100.648 tors. eta vs tors. theta energy: -191.808 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: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2180.831423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.831423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.831423 (E_RNA) where: Base-Base interactions energy: -1533.935 where: short stacking energy: -618.281 Base-Backbone interact. energy: -3.374 local terms energy: -643.522044 where: bonds (distance) C4'-P energy: -107.122 bonds (distance) P-C4' energy: -118.257 flat angles C4'-P-C4' energy: -135.700 flat angles P-C4'-P energy: -101.867 tors. eta vs tors. theta energy: -180.576 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: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2134.202377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.202377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.202377 (E_RNA) where: Base-Base interactions energy: -1468.121 where: short stacking energy: -652.587 Base-Backbone interact. energy: 1.099 local terms energy: -667.180605 where: bonds (distance) C4'-P energy: -110.219 bonds (distance) P-C4' energy: -119.193 flat angles C4'-P-C4' energy: -153.749 flat angles P-C4'-P energy: -94.631 tors. eta vs tors. theta energy: -189.388 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: 4, replica: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1958.486299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.486299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.486299 (E_RNA) where: Base-Base interactions energy: -1323.919 where: short stacking energy: -562.259 Base-Backbone interact. energy: -2.930 local terms energy: -631.637846 where: bonds (distance) C4'-P energy: -113.145 bonds (distance) P-C4' energy: -125.975 flat angles C4'-P-C4' energy: -138.330 flat angles P-C4'-P energy: -91.474 tors. eta vs tors. theta energy: -162.714 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: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1846.752530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.752530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.752530 (E_RNA) where: Base-Base interactions energy: -1254.026 where: short stacking energy: -522.849 Base-Backbone interact. energy: -2.355 local terms energy: -590.371680 where: bonds (distance) C4'-P energy: -114.922 bonds (distance) P-C4' energy: -121.031 flat angles C4'-P-C4' energy: -138.231 flat angles P-C4'-P energy: -68.241 tors. eta vs tors. theta energy: -147.946 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: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1578.474722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.474722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.474722 (E_RNA) where: Base-Base interactions energy: -1041.921 where: short stacking energy: -477.233 Base-Backbone interact. energy: -3.456 local terms energy: -533.098425 where: bonds (distance) C4'-P energy: -99.539 bonds (distance) P-C4' energy: -110.378 flat angles C4'-P-C4' energy: -117.679 flat angles P-C4'-P energy: -74.260 tors. eta vs tors. theta energy: -131.242 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: 9 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1427.069114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.069114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.069114 (E_RNA) where: Base-Base interactions energy: -913.314 where: short stacking energy: -408.716 Base-Backbone interact. energy: -1.529 local terms energy: -512.226442 where: bonds (distance) C4'-P energy: -112.776 bonds (distance) P-C4' energy: -121.435 flat angles C4'-P-C4' energy: -106.016 flat angles P-C4'-P energy: -73.252 tors. eta vs tors. theta energy: -98.747 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: 8, replica: 2 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1150.397316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.397316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.397316 (E_RNA) where: Base-Base interactions energy: -695.629 where: short stacking energy: -329.919 Base-Backbone interact. energy: -3.019 local terms energy: -451.749241 where: bonds (distance) C4'-P energy: -107.466 bonds (distance) P-C4' energy: -112.454 flat angles C4'-P-C4' energy: -103.974 flat angles P-C4'-P energy: -58.302 tors. eta vs tors. theta energy: -69.554 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: 3 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -846.501429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.501429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.501429 (E_RNA) where: Base-Base interactions energy: -468.084 where: short stacking energy: -249.707 Base-Backbone interact. energy: 0.859 local terms energy: -379.277124 where: bonds (distance) C4'-P energy: -105.133 bonds (distance) P-C4' energy: -91.879 flat angles C4'-P-C4' energy: -82.749 flat angles P-C4'-P energy: -66.179 tors. eta vs tors. theta energy: -33.337 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: 5 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -782.556030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.556030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.556030 (E_RNA) where: Base-Base interactions energy: -422.402 where: short stacking energy: -231.427 Base-Backbone interact. energy: 0.714 local terms energy: -360.868275 where: bonds (distance) C4'-P energy: -88.936 bonds (distance) P-C4' energy: -94.090 flat angles C4'-P-C4' energy: -104.595 flat angles P-C4'-P energy: -48.383 tors. eta vs tors. theta energy: -24.864 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: 1, replica: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2259.811544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.811544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.811544 (E_RNA) where: Base-Base interactions energy: -1590.323 where: short stacking energy: -671.088 Base-Backbone interact. energy: -5.356 local terms energy: -664.132632 where: bonds (distance) C4'-P energy: -110.148 bonds (distance) P-C4' energy: -124.663 flat angles C4'-P-C4' energy: -136.692 flat angles P-C4'-P energy: -93.284 tors. eta vs tors. theta energy: -199.347 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: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2183.563363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.563363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.563363 (E_RNA) where: Base-Base interactions energy: -1527.691 where: short stacking energy: -613.172 Base-Backbone interact. energy: -1.234 local terms energy: -654.638314 where: bonds (distance) C4'-P energy: -121.914 bonds (distance) P-C4' energy: -122.812 flat angles C4'-P-C4' energy: -133.782 flat angles P-C4'-P energy: -94.908 tors. eta vs tors. theta energy: -181.223 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: 3, replica: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2105.845704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.845704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.845704 (E_RNA) where: Base-Base interactions energy: -1451.963 where: short stacking energy: -623.402 Base-Backbone interact. energy: -3.361 local terms energy: -650.520873 where: bonds (distance) C4'-P energy: -114.807 bonds (distance) P-C4' energy: -113.132 flat angles C4'-P-C4' energy: -138.509 flat angles P-C4'-P energy: -90.401 tors. eta vs tors. theta energy: -193.671 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: 353 Temperature: 1.050000 Total energy: -1934.571580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.571580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.571580 (E_RNA) where: Base-Base interactions energy: -1318.862 where: short stacking energy: -552.431 Base-Backbone interact. energy: 0.483 local terms energy: -616.193060 where: bonds (distance) C4'-P energy: -103.745 bonds (distance) P-C4' energy: -130.531 flat angles C4'-P-C4' energy: -139.565 flat angles P-C4'-P energy: -88.998 tors. eta vs tors. theta energy: -153.355 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: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1878.798402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.798402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.798402 (E_RNA) where: Base-Base interactions energy: -1303.639 where: short stacking energy: -516.077 Base-Backbone interact. energy: -2.645 local terms energy: -572.514280 where: bonds (distance) C4'-P energy: -124.011 bonds (distance) P-C4' energy: -98.136 flat angles C4'-P-C4' energy: -128.374 flat angles P-C4'-P energy: -76.459 tors. eta vs tors. theta energy: -145.534 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: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1502.459320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.459320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.459320 (E_RNA) where: Base-Base interactions energy: -984.883 where: short stacking energy: -430.842 Base-Backbone interact. energy: 3.621 local terms energy: -521.197508 where: bonds (distance) C4'-P energy: -105.172 bonds (distance) P-C4' energy: -103.370 flat angles C4'-P-C4' energy: -123.397 flat angles P-C4'-P energy: -78.136 tors. eta vs tors. theta energy: -111.123 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: 7, replica: 9 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1394.388411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.388411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.388411 (E_RNA) where: Base-Base interactions energy: -895.232 where: short stacking energy: -383.460 Base-Backbone interact. energy: -1.548 local terms energy: -497.607797 where: bonds (distance) C4'-P energy: -112.135 bonds (distance) P-C4' energy: -121.725 flat angles C4'-P-C4' energy: -118.483 flat angles P-C4'-P energy: -68.700 tors. eta vs tors. theta energy: -76.564 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: 2 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1133.208543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.208543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.208543 (E_RNA) where: Base-Base interactions energy: -708.163 where: short stacking energy: -315.557 Base-Backbone interact. energy: -2.237 local terms energy: -422.808802 where: bonds (distance) C4'-P energy: -107.795 bonds (distance) P-C4' energy: -97.467 flat angles C4'-P-C4' energy: -94.648 flat angles P-C4'-P energy: -60.042 tors. eta vs tors. theta energy: -62.857 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: 9, replica: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -879.113231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.113231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.113231 (E_RNA) where: Base-Base interactions energy: -482.640 where: short stacking energy: -270.366 Base-Backbone interact. energy: 4.568 local terms energy: -401.041513 where: bonds (distance) C4'-P energy: -103.784 bonds (distance) P-C4' energy: -102.884 flat angles C4'-P-C4' energy: -105.116 flat angles P-C4'-P energy: -61.746 tors. eta vs tors. theta energy: -27.511 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: 5 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -772.486273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.486273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.486273 (E_RNA) where: Base-Base interactions energy: -431.594 where: short stacking energy: -219.945 Base-Backbone interact. energy: -0.045 local terms energy: -340.847299 where: bonds (distance) C4'-P energy: -100.647 bonds (distance) P-C4' energy: -89.588 flat angles C4'-P-C4' energy: -99.450 flat angles P-C4'-P energy: -43.478 tors. eta vs tors. theta energy: -7.684 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: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2283.309874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.309874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.309874 (E_RNA) where: Base-Base interactions energy: -1573.853 where: short stacking energy: -646.645 Base-Backbone interact. energy: -1.708 local terms energy: -707.749386 where: bonds (distance) C4'-P energy: -136.165 bonds (distance) P-C4' energy: -138.594 flat angles C4'-P-C4' energy: -142.247 flat angles P-C4'-P energy: -94.139 tors. eta vs tors. theta energy: -196.604 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: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2198.546198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.546198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.546198 (E_RNA) where: Base-Base interactions energy: -1546.059 where: short stacking energy: -606.428 Base-Backbone interact. energy: -0.959 local terms energy: -651.527930 where: bonds (distance) C4'-P energy: -123.955 bonds (distance) P-C4' energy: -130.637 flat angles C4'-P-C4' energy: -140.002 flat angles P-C4'-P energy: -85.010 tors. eta vs tors. theta energy: -171.924 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: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2106.521598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.521598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.521598 (E_RNA) where: Base-Base interactions energy: -1440.078 where: short stacking energy: -620.530 Base-Backbone interact. energy: -0.741 local terms energy: -665.702852 where: bonds (distance) C4'-P energy: -132.092 bonds (distance) P-C4' energy: -121.361 flat angles C4'-P-C4' energy: -143.019 flat angles P-C4'-P energy: -79.916 tors. eta vs tors. theta energy: -189.314 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: 354 Temperature: 1.050000 Total energy: -1937.457105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.457105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.457105 (E_RNA) where: Base-Base interactions energy: -1337.018 where: short stacking energy: -550.447 Base-Backbone interact. energy: -0.008 local terms energy: -600.431292 where: bonds (distance) C4'-P energy: -107.731 bonds (distance) P-C4' energy: -130.665 flat angles C4'-P-C4' energy: -133.984 flat angles P-C4'-P energy: -78.035 tors. eta vs tors. theta energy: -150.016 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: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1845.592124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.592124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.592124 (E_RNA) where: Base-Base interactions energy: -1252.416 where: short stacking energy: -533.120 Base-Backbone interact. energy: 1.815 local terms energy: -594.990974 where: bonds (distance) C4'-P energy: -105.371 bonds (distance) P-C4' energy: -109.955 flat angles C4'-P-C4' energy: -136.501 flat angles P-C4'-P energy: -96.538 tors. eta vs tors. theta energy: -146.625 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: 6, replica: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1514.329547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.329547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.329547 (E_RNA) where: Base-Base interactions energy: -992.791 where: short stacking energy: -432.788 Base-Backbone interact. energy: 1.777 local terms energy: -523.314941 where: bonds (distance) C4'-P energy: -112.148 bonds (distance) P-C4' energy: -109.247 flat angles C4'-P-C4' energy: -105.620 flat angles P-C4'-P energy: -83.786 tors. eta vs tors. theta energy: -112.514 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: 7, replica: 9 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1424.524714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.524714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.524714 (E_RNA) where: Base-Base interactions energy: -927.173 where: short stacking energy: -422.322 Base-Backbone interact. energy: -0.891 local terms energy: -496.461166 where: bonds (distance) C4'-P energy: -109.235 bonds (distance) P-C4' energy: -114.827 flat angles C4'-P-C4' energy: -96.192 flat angles P-C4'-P energy: -67.366 tors. eta vs tors. theta energy: -108.842 Dist. restrs. and SS energy: 0.000 (S_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: 354 Temperature: 1.250000 Total energy: -1129.902506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.902506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.902506 (E_RNA) where: Base-Base interactions energy: -711.951 where: short stacking energy: -308.585 Base-Backbone interact. energy: 4.925 local terms energy: -422.877320 where: bonds (distance) C4'-P energy: -89.803 bonds (distance) P-C4' energy: -105.318 flat angles C4'-P-C4' energy: -103.105 flat angles P-C4'-P energy: -67.151 tors. eta vs tors. theta energy: -57.501 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: 9, replica: 3 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -852.088301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.088301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.088301 (E_RNA) where: Base-Base interactions energy: -484.155 where: short stacking energy: -262.561 Base-Backbone interact. energy: 0.966 local terms energy: -368.898452 where: bonds (distance) C4'-P energy: -107.027 bonds (distance) P-C4' energy: -91.196 flat angles C4'-P-C4' energy: -91.540 flat angles P-C4'-P energy: -59.901 tors. eta vs tors. theta energy: -19.236 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: 10, replica: 5 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -766.852408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.852408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.852408 (E_RNA) where: Base-Base interactions energy: -409.549 where: short stacking energy: -211.065 Base-Backbone interact. energy: 2.898 local terms energy: -360.201172 where: bonds (distance) C4'-P energy: -97.509 bonds (distance) P-C4' energy: -117.987 flat angles C4'-P-C4' energy: -83.024 flat angles P-C4'-P energy: -67.291 tors. eta vs tors. theta energy: 5.610 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: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2265.771365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.771365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.771365 (E_RNA) where: Base-Base interactions energy: -1581.068 where: short stacking energy: -668.885 Base-Backbone interact. energy: -2.818 local terms energy: -681.885661 where: bonds (distance) C4'-P energy: -115.048 bonds (distance) P-C4' energy: -129.641 flat angles C4'-P-C4' energy: -144.679 flat angles P-C4'-P energy: -97.190 tors. eta vs tors. theta energy: -195.327 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: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2204.467047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.467047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.467047 (E_RNA) where: Base-Base interactions energy: -1559.057 where: short stacking energy: -613.394 Base-Backbone interact. energy: -4.418 local terms energy: -640.991905 where: bonds (distance) C4'-P energy: -117.908 bonds (distance) P-C4' energy: -131.125 flat angles C4'-P-C4' energy: -135.419 flat angles P-C4'-P energy: -87.871 tors. eta vs tors. theta energy: -168.669 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: 3, replica: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2109.988338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.988338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.988338 (E_RNA) where: Base-Base interactions energy: -1472.259 where: short stacking energy: -618.020 Base-Backbone interact. energy: -2.835 local terms energy: -634.894269 where: bonds (distance) C4'-P energy: -122.346 bonds (distance) P-C4' energy: -120.236 flat angles C4'-P-C4' energy: -136.408 flat angles P-C4'-P energy: -76.319 tors. eta vs tors. theta energy: -179.585 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: 4, replica: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1965.375870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.375870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.375870 (E_RNA) where: Base-Base interactions energy: -1360.594 where: short stacking energy: -560.779 Base-Backbone interact. energy: -0.269 local terms energy: -604.513117 where: bonds (distance) C4'-P energy: -113.732 bonds (distance) P-C4' energy: -113.448 flat angles C4'-P-C4' energy: -129.049 flat angles P-C4'-P energy: -90.269 tors. eta vs tors. theta energy: -158.015 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: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1796.531684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.531684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.531684 (E_RNA) where: Base-Base interactions energy: -1225.162 where: short stacking energy: -524.756 Base-Backbone interact. energy: -3.128 local terms energy: -568.241311 where: bonds (distance) C4'-P energy: -109.504 bonds (distance) P-C4' energy: -113.429 flat angles C4'-P-C4' energy: -128.059 flat angles P-C4'-P energy: -78.339 tors. eta vs tors. theta energy: -138.910 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: 355 Temperature: 1.150000 Total energy: -1548.916545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.916545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.916545 (E_RNA) where: Base-Base interactions energy: -1025.491 where: short stacking energy: -427.298 Base-Backbone interact. energy: -5.272 local terms energy: -518.153552 where: bonds (distance) C4'-P energy: -89.579 bonds (distance) P-C4' energy: -114.572 flat angles C4'-P-C4' energy: -119.781 flat angles P-C4'-P energy: -83.879 tors. eta vs tors. theta energy: -110.342 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: 7, replica: 9 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1404.545065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.545065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.545065 (E_RNA) where: Base-Base interactions energy: -899.766 where: short stacking energy: -395.377 Base-Backbone interact. energy: -0.884 local terms energy: -503.894169 where: bonds (distance) C4'-P energy: -111.257 bonds (distance) P-C4' energy: -104.891 flat angles C4'-P-C4' energy: -110.720 flat angles P-C4'-P energy: -78.476 tors. eta vs tors. theta energy: -98.549 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: 8, replica: 2 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1140.309298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.309298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.309298 (E_RNA) where: Base-Base interactions energy: -691.844 where: short stacking energy: -322.767 Base-Backbone interact. energy: -3.958 local terms energy: -444.507703 where: bonds (distance) C4'-P energy: -105.497 bonds (distance) P-C4' energy: -110.745 flat angles C4'-P-C4' energy: -104.485 flat angles P-C4'-P energy: -67.033 tors. eta vs tors. theta energy: -56.748 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: 9, replica: 3 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -807.080507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.080507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.080507 (E_RNA) where: Base-Base interactions energy: -431.817 where: short stacking energy: -242.585 Base-Backbone interact. energy: 1.556 local terms energy: -376.819295 where: bonds (distance) C4'-P energy: -96.689 bonds (distance) P-C4' energy: -102.154 flat angles C4'-P-C4' energy: -91.080 flat angles P-C4'-P energy: -57.838 tors. eta vs tors. theta energy: -29.058 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: 5 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -832.493329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.493329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.493329 (E_RNA) where: Base-Base interactions energy: -469.233 where: short stacking energy: -243.399 Base-Backbone interact. energy: 0.773 local terms energy: -364.032709 where: bonds (distance) C4'-P energy: -96.576 bonds (distance) P-C4' energy: -112.051 flat angles C4'-P-C4' energy: -92.569 flat angles P-C4'-P energy: -40.183 tors. eta vs tors. theta energy: -22.655 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: 1, replica: 10 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2267.972462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.972462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.972462 (E_RNA) where: Base-Base interactions energy: -1575.495 where: short stacking energy: -673.967 Base-Backbone interact. energy: -2.195 local terms energy: -690.282773 where: bonds (distance) C4'-P energy: -125.238 bonds (distance) P-C4' energy: -116.583 flat angles C4'-P-C4' energy: -157.219 flat angles P-C4'-P energy: -99.102 tors. eta vs tors. theta energy: -192.141 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: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2158.409857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.409857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.409857 (E_RNA) where: Base-Base interactions energy: -1503.758 where: short stacking energy: -596.906 Base-Backbone interact. energy: -3.277 local terms energy: -651.375136 where: bonds (distance) C4'-P energy: -131.390 bonds (distance) P-C4' energy: -119.339 flat angles C4'-P-C4' energy: -137.775 flat angles P-C4'-P energy: -87.993 tors. eta vs tors. theta energy: -174.878 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: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2113.732220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.732220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.732220 (E_RNA) where: Base-Base interactions energy: -1478.881 where: short stacking energy: -626.315 Base-Backbone interact. energy: -2.170 local terms energy: -632.680716 where: bonds (distance) C4'-P energy: -115.810 bonds (distance) P-C4' energy: -100.036 flat angles C4'-P-C4' energy: -137.301 flat angles P-C4'-P energy: -81.033 tors. eta vs tors. theta energy: -198.500 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: 4, replica: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1950.303851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.303851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.303851 (E_RNA) where: Base-Base interactions energy: -1344.384 where: short stacking energy: -544.920 Base-Backbone interact. energy: -3.820 local terms energy: -602.100182 where: bonds (distance) C4'-P energy: -118.389 bonds (distance) P-C4' energy: -117.255 flat angles C4'-P-C4' energy: -130.753 flat angles P-C4'-P energy: -73.817 tors. eta vs tors. theta energy: -161.887 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: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1836.987285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.987285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.987285 (E_RNA) where: Base-Base interactions energy: -1245.099 where: short stacking energy: -529.140 Base-Backbone interact. energy: -2.174 local terms energy: -589.714123 where: bonds (distance) C4'-P energy: -117.911 bonds (distance) P-C4' energy: -112.702 flat angles C4'-P-C4' energy: -121.950 flat angles P-C4'-P energy: -88.056 tors. eta vs tors. theta energy: -149.094 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: 6, replica: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1542.089759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.089759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.089759 (E_RNA) where: Base-Base interactions energy: -1016.458 where: short stacking energy: -431.529 Base-Backbone interact. energy: 1.789 local terms energy: -527.420687 where: bonds (distance) C4'-P energy: -102.308 bonds (distance) P-C4' energy: -120.188 flat angles C4'-P-C4' energy: -125.515 flat angles P-C4'-P energy: -63.189 tors. eta vs tors. theta energy: -116.220 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: 7, replica: 9 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1377.636374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.636374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.636374 (E_RNA) where: Base-Base interactions energy: -885.639 where: short stacking energy: -379.951 Base-Backbone interact. energy: 0.511 local terms energy: -492.508838 where: bonds (distance) C4'-P energy: -101.144 bonds (distance) P-C4' energy: -104.790 flat angles C4'-P-C4' energy: -135.645 flat angles P-C4'-P energy: -50.426 tors. eta vs tors. theta energy: -100.503 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: 8, replica: 2 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1083.375633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.375633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.375633 (E_RNA) where: Base-Base interactions energy: -675.086 where: short stacking energy: -285.232 Base-Backbone interact. energy: -0.469 local terms energy: -407.821375 where: bonds (distance) C4'-P energy: -88.792 bonds (distance) P-C4' energy: -114.873 flat angles C4'-P-C4' energy: -99.429 flat angles P-C4'-P energy: -62.261 tors. eta vs tors. theta energy: -42.466 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: 9, replica: 3 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -840.807319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.807319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.807319 (E_RNA) where: Base-Base interactions energy: -471.623 where: short stacking energy: -261.010 Base-Backbone interact. energy: -1.787 local terms energy: -367.397580 where: bonds (distance) C4'-P energy: -106.349 bonds (distance) P-C4' energy: -107.173 flat angles C4'-P-C4' energy: -91.266 flat angles P-C4'-P energy: -36.757 tors. eta vs tors. theta energy: -25.853 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: 5 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -807.863030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.863030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.863030 (E_RNA) where: Base-Base interactions energy: -474.069 where: short stacking energy: -224.692 Base-Backbone interact. energy: -3.554 local terms energy: -330.239092 where: bonds (distance) C4'-P energy: -97.457 bonds (distance) P-C4' energy: -112.027 flat angles C4'-P-C4' energy: -70.951 flat angles P-C4'-P energy: -48.698 tors. eta vs tors. theta energy: -1.106 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: 357 Temperature: 0.900000 Total energy: -2272.583171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.583171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.583171 (E_RNA) where: Base-Base interactions energy: -1578.667 where: short stacking energy: -646.742 Base-Backbone interact. energy: -3.086 local terms energy: -690.830006 where: bonds (distance) C4'-P energy: -132.358 bonds (distance) P-C4' energy: -125.486 flat angles C4'-P-C4' energy: -154.237 flat angles P-C4'-P energy: -84.859 tors. eta vs tors. theta energy: -193.891 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: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2164.674341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.674341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.674341 (E_RNA) where: Base-Base interactions energy: -1542.914 where: short stacking energy: -619.035 Base-Backbone interact. energy: -3.206 local terms energy: -618.554436 where: bonds (distance) C4'-P energy: -94.556 bonds (distance) P-C4' energy: -123.904 flat angles C4'-P-C4' energy: -144.663 flat angles P-C4'-P energy: -79.881 tors. eta vs tors. theta energy: -175.550 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: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2086.919173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.919173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.919173 (E_RNA) where: Base-Base interactions energy: -1429.943 where: short stacking energy: -639.715 Base-Backbone interact. energy: -2.900 local terms energy: -654.075391 where: bonds (distance) C4'-P energy: -104.696 bonds (distance) P-C4' energy: -122.047 flat angles C4'-P-C4' energy: -138.154 flat angles P-C4'-P energy: -97.056 tors. eta vs tors. theta energy: -192.124 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: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1931.456930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.456930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.456930 (E_RNA) where: Base-Base interactions energy: -1345.155 where: short stacking energy: -551.101 Base-Backbone interact. energy: -2.394 local terms energy: -583.908497 where: bonds (distance) C4'-P energy: -108.217 bonds (distance) P-C4' energy: -107.904 flat angles C4'-P-C4' energy: -121.275 flat angles P-C4'-P energy: -89.456 tors. eta vs tors. theta energy: -157.057 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: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1857.452582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.452582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.452582 (E_RNA) where: Base-Base interactions energy: -1284.231 where: short stacking energy: -502.515 Base-Backbone interact. energy: -2.805 local terms energy: -570.416368 where: bonds (distance) C4'-P energy: -105.928 bonds (distance) P-C4' energy: -116.165 flat angles C4'-P-C4' energy: -129.258 flat angles P-C4'-P energy: -78.937 tors. eta vs tors. theta energy: -140.128 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: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1572.658856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.658856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.658856 (E_RNA) where: Base-Base interactions energy: -1014.490 where: short stacking energy: -454.222 Base-Backbone interact. energy: -5.531 local terms energy: -552.637594 where: bonds (distance) C4'-P energy: -112.696 bonds (distance) P-C4' energy: -110.353 flat angles C4'-P-C4' energy: -132.304 flat angles P-C4'-P energy: -73.482 tors. eta vs tors. theta energy: -123.802 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: 7, replica: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1325.862312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.862312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.862312 (E_RNA) where: Base-Base interactions energy: -866.339 where: short stacking energy: -398.308 Base-Backbone interact. energy: -1.322 local terms energy: -458.201077 where: bonds (distance) C4'-P energy: -121.416 bonds (distance) P-C4' energy: -97.380 flat angles C4'-P-C4' energy: -108.186 flat angles P-C4'-P energy: -45.491 tors. eta vs tors. theta energy: -85.728 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: 2 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1156.868159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.868159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.868159 (E_RNA) where: Base-Base interactions energy: -698.286 where: short stacking energy: -307.575 Base-Backbone interact. energy: 7.198 local terms energy: -465.779718 where: bonds (distance) C4'-P energy: -102.396 bonds (distance) P-C4' energy: -110.540 flat angles C4'-P-C4' energy: -128.105 flat angles P-C4'-P energy: -67.634 tors. eta vs tors. theta energy: -57.104 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: 9, replica: 3 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -851.063391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.063391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.063391 (E_RNA) where: Base-Base interactions energy: -451.865 where: short stacking energy: -257.014 Base-Backbone interact. energy: 1.300 local terms energy: -400.498955 where: bonds (distance) C4'-P energy: -119.334 bonds (distance) P-C4' energy: -109.473 flat angles C4'-P-C4' energy: -92.986 flat angles P-C4'-P energy: -60.125 tors. eta vs tors. theta energy: -18.581 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: 5 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -799.947494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.947494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.947494 (E_RNA) where: Base-Base interactions energy: -411.360 where: short stacking energy: -219.762 Base-Backbone interact. energy: 0.892 local terms energy: -389.479329 where: bonds (distance) C4'-P energy: -100.436 bonds (distance) P-C4' energy: -114.307 flat angles C4'-P-C4' energy: -95.074 flat angles P-C4'-P energy: -58.907 tors. eta vs tors. theta energy: -20.757 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: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2285.476671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.476671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.476671 (E_RNA) where: Base-Base interactions energy: -1599.360 where: short stacking energy: -673.946 Base-Backbone interact. energy: -3.682 local terms energy: -682.434800 where: bonds (distance) C4'-P energy: -122.361 bonds (distance) P-C4' energy: -119.948 flat angles C4'-P-C4' energy: -142.672 flat angles P-C4'-P energy: -96.248 tors. eta vs tors. theta energy: -201.205 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: 2, replica: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2201.881797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.881797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.881797 (E_RNA) where: Base-Base interactions energy: -1523.074 where: short stacking energy: -609.498 Base-Backbone interact. energy: -5.905 local terms energy: -672.903738 where: bonds (distance) C4'-P energy: -130.714 bonds (distance) P-C4' energy: -111.730 flat angles C4'-P-C4' energy: -151.589 flat angles P-C4'-P energy: -94.334 tors. eta vs tors. theta energy: -184.536 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: 7 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2113.110790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.110790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.110790 (E_RNA) where: Base-Base interactions energy: -1458.912 where: short stacking energy: -629.087 Base-Backbone interact. energy: -1.574 local terms energy: -652.624484 where: bonds (distance) C4'-P energy: -119.976 bonds (distance) P-C4' energy: -122.938 flat angles C4'-P-C4' energy: -130.427 flat angles P-C4'-P energy: -83.255 tors. eta vs tors. theta energy: -196.030 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: 4, replica: 4 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1923.674377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.674377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.674377 (E_RNA) where: Base-Base interactions energy: -1338.497 where: short stacking energy: -550.715 Base-Backbone interact. energy: 3.138 local terms energy: -588.315597 where: bonds (distance) C4'-P energy: -106.098 bonds (distance) P-C4' energy: -107.260 flat angles C4'-P-C4' energy: -135.954 flat angles P-C4'-P energy: -82.920 tors. eta vs tors. theta energy: -156.083 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: 5, replica: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1871.197460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.197460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.197460 (E_RNA) where: Base-Base interactions energy: -1313.399 where: short stacking energy: -540.472 Base-Backbone interact. energy: -6.272 local terms energy: -551.526642 where: bonds (distance) C4'-P energy: -98.392 bonds (distance) P-C4' energy: -108.219 flat angles C4'-P-C4' energy: -123.092 flat angles P-C4'-P energy: -71.238 tors. eta vs tors. theta energy: -150.586 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: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1587.854156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.854156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.854156 (E_RNA) where: Base-Base interactions energy: -1039.487 where: short stacking energy: -456.787 Base-Backbone interact. energy: -2.232 local terms energy: -546.134441 where: bonds (distance) C4'-P energy: -101.914 bonds (distance) P-C4' energy: -119.467 flat angles C4'-P-C4' energy: -112.435 flat angles P-C4'-P energy: -70.407 tors. eta vs tors. theta energy: -141.912 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: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1404.950361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.950361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.950361 (E_RNA) where: Base-Base interactions energy: -889.657 where: short stacking energy: -417.704 Base-Backbone interact. energy: 0.229 local terms energy: -515.522406 where: bonds (distance) C4'-P energy: -110.878 bonds (distance) P-C4' energy: -124.327 flat angles C4'-P-C4' energy: -103.390 flat angles P-C4'-P energy: -79.156 tors. eta vs tors. theta energy: -97.772 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: 2 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1105.398432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.398432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.398432 (E_RNA) where: Base-Base interactions energy: -693.402 where: short stacking energy: -329.417 Base-Backbone interact. energy: -0.325 local terms energy: -411.671814 where: bonds (distance) C4'-P energy: -105.609 bonds (distance) P-C4' energy: -104.152 flat angles C4'-P-C4' energy: -89.645 flat angles P-C4'-P energy: -55.378 tors. eta vs tors. theta energy: -56.888 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: 9, replica: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -865.315667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.315667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.315667 (E_RNA) where: Base-Base interactions energy: -480.296 where: short stacking energy: -259.500 Base-Backbone interact. energy: 1.495 local terms energy: -386.514303 where: bonds (distance) C4'-P energy: -105.528 bonds (distance) P-C4' energy: -112.841 flat angles C4'-P-C4' energy: -87.245 flat angles P-C4'-P energy: -62.201 tors. eta vs tors. theta energy: -18.699 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: 10, replica: 5 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -779.383819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.383819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.383819 (E_RNA) where: Base-Base interactions energy: -405.866 where: short stacking energy: -220.170 Base-Backbone interact. energy: -1.846 local terms energy: -371.671758 where: bonds (distance) C4'-P energy: -93.070 bonds (distance) P-C4' energy: -101.560 flat angles C4'-P-C4' energy: -114.472 flat angles P-C4'-P energy: -57.034 tors. eta vs tors. theta energy: -5.534 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: 1, replica: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2273.393091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.393091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.393091 (E_RNA) where: Base-Base interactions energy: -1563.339 where: short stacking energy: -665.111 Base-Backbone interact. energy: -2.531 local terms energy: -707.522636 where: bonds (distance) C4'-P energy: -125.955 bonds (distance) P-C4' energy: -126.859 flat angles C4'-P-C4' energy: -154.102 flat angles P-C4'-P energy: -102.868 tors. eta vs tors. theta energy: -197.739 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: 2, replica: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2177.465669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.465669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.465669 (E_RNA) where: Base-Base interactions energy: -1506.228 where: short stacking energy: -604.289 Base-Backbone interact. energy: -2.763 local terms energy: -668.473865 where: bonds (distance) C4'-P energy: -120.542 bonds (distance) P-C4' energy: -131.102 flat angles C4'-P-C4' energy: -139.140 flat angles P-C4'-P energy: -94.312 tors. eta vs tors. theta energy: -183.378 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: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2102.102615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.102615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.102615 (E_RNA) where: Base-Base interactions energy: -1462.230 where: short stacking energy: -615.551 Base-Backbone interact. energy: -1.162 local terms energy: -638.710737 where: bonds (distance) C4'-P energy: -118.744 bonds (distance) P-C4' energy: -122.525 flat angles C4'-P-C4' energy: -132.470 flat angles P-C4'-P energy: -79.548 tors. eta vs tors. theta energy: -185.423 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: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1947.884561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.884561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.884561 (E_RNA) where: Base-Base interactions energy: -1345.418 where: short stacking energy: -558.354 Base-Backbone interact. energy: -0.342 local terms energy: -602.124558 where: bonds (distance) C4'-P energy: -117.020 bonds (distance) P-C4' energy: -123.271 flat angles C4'-P-C4' energy: -131.886 flat angles P-C4'-P energy: -80.713 tors. eta vs tors. theta energy: -149.235 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: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1846.567690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.567690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.567690 (E_RNA) where: Base-Base interactions energy: -1287.487 where: short stacking energy: -514.227 Base-Backbone interact. energy: -0.677 local terms energy: -558.403194 where: bonds (distance) C4'-P energy: -109.563 bonds (distance) P-C4' energy: -110.608 flat angles C4'-P-C4' energy: -124.367 flat angles P-C4'-P energy: -73.938 tors. eta vs tors. theta energy: -139.927 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: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1593.911784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.911784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.911784 (E_RNA) where: Base-Base interactions energy: -1061.676 where: short stacking energy: -430.530 Base-Backbone interact. energy: 4.149 local terms energy: -536.383867 where: bonds (distance) C4'-P energy: -107.262 bonds (distance) P-C4' energy: -128.435 flat angles C4'-P-C4' energy: -126.048 flat angles P-C4'-P energy: -64.908 tors. eta vs tors. theta energy: -109.731 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: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1318.216746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.216746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.216746 (E_RNA) where: Base-Base interactions energy: -834.912 where: short stacking energy: -384.411 Base-Backbone interact. energy: -1.338 local terms energy: -481.967670 where: bonds (distance) C4'-P energy: -105.937 bonds (distance) P-C4' energy: -107.994 flat angles C4'-P-C4' energy: -107.644 flat angles P-C4'-P energy: -71.532 tors. eta vs tors. theta energy: -88.861 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: 8, replica: 2 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1135.324993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.324993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.324993 (E_RNA) where: Base-Base interactions energy: -711.017 where: short stacking energy: -308.463 Base-Backbone interact. energy: -1.087 local terms energy: -423.220887 where: bonds (distance) C4'-P energy: -93.440 bonds (distance) P-C4' energy: -116.248 flat angles C4'-P-C4' energy: -104.082 flat angles P-C4'-P energy: -58.045 tors. eta vs tors. theta energy: -51.405 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: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -831.392174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.392174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.392174 (E_RNA) where: Base-Base interactions energy: -484.790 where: short stacking energy: -264.096 Base-Backbone interact. energy: 5.991 local terms energy: -352.593493 where: bonds (distance) C4'-P energy: -91.627 bonds (distance) P-C4' energy: -91.789 flat angles C4'-P-C4' energy: -103.254 flat angles P-C4'-P energy: -40.457 tors. eta vs tors. theta energy: -25.467 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: 5 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -814.376963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.376963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.376963 (E_RNA) where: Base-Base interactions energy: -446.556 where: short stacking energy: -220.825 Base-Backbone interact. energy: 0.955 local terms energy: -368.776063 where: bonds (distance) C4'-P energy: -105.576 bonds (distance) P-C4' energy: -103.626 flat angles C4'-P-C4' energy: -95.851 flat angles P-C4'-P energy: -49.916 tors. eta vs tors. theta energy: -13.808 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: 1, replica: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2252.471947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.471947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.471947 (E_RNA) where: Base-Base interactions energy: -1552.641 where: short stacking energy: -651.933 Base-Backbone interact. energy: -3.233 local terms energy: -696.597703 where: bonds (distance) C4'-P energy: -134.089 bonds (distance) P-C4' energy: -126.278 flat angles C4'-P-C4' energy: -137.926 flat angles P-C4'-P energy: -99.060 tors. eta vs tors. theta energy: -199.245 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: 2, replica: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2209.849904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.849904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.849904 (E_RNA) where: Base-Base interactions energy: -1553.712 where: short stacking energy: -609.931 Base-Backbone interact. energy: -2.989 local terms energy: -653.148363 where: bonds (distance) C4'-P energy: -123.715 bonds (distance) P-C4' energy: -120.472 flat angles C4'-P-C4' energy: -139.593 flat angles P-C4'-P energy: -86.424 tors. eta vs tors. theta energy: -182.945 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: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2096.048869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.048869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.048869 (E_RNA) where: Base-Base interactions energy: -1434.809 where: short stacking energy: -593.376 Base-Backbone interact. energy: -2.537 local terms energy: -658.702943 where: bonds (distance) C4'-P energy: -119.328 bonds (distance) P-C4' energy: -130.163 flat angles C4'-P-C4' energy: -128.631 flat angles P-C4'-P energy: -98.828 tors. eta vs tors. theta energy: -181.752 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: 4, replica: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1972.317349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.317349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.317349 (E_RNA) where: Base-Base interactions energy: -1363.441 where: short stacking energy: -576.597 Base-Backbone interact. energy: -4.625 local terms energy: -604.251408 where: bonds (distance) C4'-P energy: -114.213 bonds (distance) P-C4' energy: -114.238 flat angles C4'-P-C4' energy: -128.546 flat angles P-C4'-P energy: -86.179 tors. eta vs tors. theta energy: -161.076 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: 5, replica: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1874.722146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.722146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.722146 (E_RNA) where: Base-Base interactions energy: -1282.325 where: short stacking energy: -547.899 Base-Backbone interact. energy: -4.369 local terms energy: -588.027933 where: bonds (distance) C4'-P energy: -113.454 bonds (distance) P-C4' energy: -117.460 flat angles C4'-P-C4' energy: -132.071 flat angles P-C4'-P energy: -73.595 tors. eta vs tors. theta energy: -151.448 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: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1592.835308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.835308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.835308 (E_RNA) where: Base-Base interactions energy: -1055.032 where: short stacking energy: -470.788 Base-Backbone interact. energy: 1.538 local terms energy: -539.341099 where: bonds (distance) C4'-P energy: -111.343 bonds (distance) P-C4' energy: -112.579 flat angles C4'-P-C4' energy: -109.313 flat angles P-C4'-P energy: -81.904 tors. eta vs tors. theta energy: -124.203 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: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1321.481448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.481448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.481448 (E_RNA) where: Base-Base interactions energy: -858.172 where: short stacking energy: -385.611 Base-Backbone interact. energy: 5.536 local terms energy: -468.845209 where: bonds (distance) C4'-P energy: -106.069 bonds (distance) P-C4' energy: -109.174 flat angles C4'-P-C4' energy: -106.344 flat angles P-C4'-P energy: -67.294 tors. eta vs tors. theta energy: -79.964 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: 8, replica: 2 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1163.652476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.652476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.652476 (E_RNA) where: Base-Base interactions energy: -713.741 where: short stacking energy: -338.008 Base-Backbone interact. energy: 0.964 local terms energy: -450.875295 where: bonds (distance) C4'-P energy: -87.061 bonds (distance) P-C4' energy: -107.395 flat angles C4'-P-C4' energy: -104.810 flat angles P-C4'-P energy: -73.248 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: 9, replica: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -895.867037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.867037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.867037 (E_RNA) where: Base-Base interactions energy: -479.205 where: short stacking energy: -260.716 Base-Backbone interact. energy: 5.711 local terms energy: -422.373743 where: bonds (distance) C4'-P energy: -108.552 bonds (distance) P-C4' energy: -114.003 flat angles C4'-P-C4' energy: -95.731 flat angles P-C4'-P energy: -58.955 tors. eta vs tors. theta energy: -45.133 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: 10, replica: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -766.639580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.639580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.639580 (E_RNA) where: Base-Base interactions energy: -402.008 where: short stacking energy: -215.627 Base-Backbone interact. energy: 2.601 local terms energy: -367.232956 where: bonds (distance) C4'-P energy: -112.265 bonds (distance) P-C4' energy: -114.186 flat angles C4'-P-C4' energy: -90.546 flat angles P-C4'-P energy: -40.486 tors. eta vs tors. theta energy: -9.749 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: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2250.874894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.874894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.874894 (E_RNA) where: Base-Base interactions energy: -1570.071 where: short stacking energy: -662.031 Base-Backbone interact. energy: -3.533 local terms energy: -677.270294 where: bonds (distance) C4'-P energy: -123.192 bonds (distance) P-C4' energy: -120.802 flat angles C4'-P-C4' energy: -144.290 flat angles P-C4'-P energy: -91.091 tors. eta vs tors. theta energy: -197.895 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: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2196.938759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.938759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.938759 (E_RNA) where: Base-Base interactions energy: -1545.060 where: short stacking energy: -613.122 Base-Backbone interact. energy: -1.113 local terms energy: -650.765321 where: bonds (distance) C4'-P energy: -119.343 bonds (distance) P-C4' energy: -119.694 flat angles C4'-P-C4' energy: -133.603 flat angles P-C4'-P energy: -101.477 tors. eta vs tors. theta energy: -176.648 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: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2088.355291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.355291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.355291 (E_RNA) where: Base-Base interactions energy: -1459.759 where: short stacking energy: -626.861 Base-Backbone interact. energy: -4.549 local terms energy: -624.047282 where: bonds (distance) C4'-P energy: -105.384 bonds (distance) P-C4' energy: -112.110 flat angles C4'-P-C4' energy: -136.108 flat angles P-C4'-P energy: -83.944 tors. eta vs tors. theta energy: -186.501 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: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1934.576520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.576520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.576520 (E_RNA) where: Base-Base interactions energy: -1327.666 where: short stacking energy: -526.668 Base-Backbone interact. energy: -2.260 local terms energy: -604.650746 where: bonds (distance) C4'-P energy: -116.805 bonds (distance) P-C4' energy: -122.087 flat angles C4'-P-C4' energy: -119.632 flat angles P-C4'-P energy: -97.609 tors. eta vs tors. theta energy: -148.517 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: 5, replica: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1813.699325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.699325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.699325 (E_RNA) where: Base-Base interactions energy: -1244.576 where: short stacking energy: -519.139 Base-Backbone interact. energy: -1.687 local terms energy: -567.436524 where: bonds (distance) C4'-P energy: -110.024 bonds (distance) P-C4' energy: -116.334 flat angles C4'-P-C4' energy: -124.979 flat angles P-C4'-P energy: -80.693 tors. eta vs tors. theta energy: -135.407 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: 6, replica: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1598.319750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.319750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.319750 (E_RNA) where: Base-Base interactions energy: -1036.989 where: short stacking energy: -451.576 Base-Backbone interact. energy: -0.314 local terms energy: -561.017275 where: bonds (distance) C4'-P energy: -114.079 bonds (distance) P-C4' energy: -115.820 flat angles C4'-P-C4' energy: -130.899 flat angles P-C4'-P energy: -79.913 tors. eta vs tors. theta energy: -120.306 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: 9 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1389.792974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.792974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.792974 (E_RNA) where: Base-Base interactions energy: -891.726 where: short stacking energy: -411.975 Base-Backbone interact. energy: -1.710 local terms energy: -496.357640 where: bonds (distance) C4'-P energy: -104.057 bonds (distance) P-C4' energy: -108.634 flat angles C4'-P-C4' energy: -105.800 flat angles P-C4'-P energy: -67.845 tors. eta vs tors. theta energy: -110.022 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: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1131.312862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.312862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.312862 (E_RNA) where: Base-Base interactions energy: -694.756 where: short stacking energy: -316.964 Base-Backbone interact. energy: 0.122 local terms energy: -436.679339 where: bonds (distance) C4'-P energy: -87.520 bonds (distance) P-C4' energy: -108.108 flat angles C4'-P-C4' energy: -111.685 flat angles P-C4'-P energy: -73.345 tors. eta vs tors. theta energy: -56.021 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: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -827.508786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.508786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.508786 (E_RNA) where: Base-Base interactions energy: -444.339 where: short stacking energy: -222.518 Base-Backbone interact. energy: -1.927 local terms energy: -381.241935 where: bonds (distance) C4'-P energy: -105.439 bonds (distance) P-C4' energy: -103.003 flat angles C4'-P-C4' energy: -97.612 flat angles P-C4'-P energy: -58.995 tors. eta vs tors. theta energy: -16.193 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: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -827.611124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.611124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.611124 (E_RNA) where: Base-Base interactions energy: -434.305 where: short stacking energy: -222.983 Base-Backbone interact. energy: -2.262 local terms energy: -391.044034 where: bonds (distance) C4'-P energy: -103.374 bonds (distance) P-C4' energy: -118.950 flat angles C4'-P-C4' energy: -103.897 flat angles P-C4'-P energy: -43.079 tors. eta vs tors. theta energy: -21.745 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: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2211.621605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.621605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.621605 (E_RNA) where: Base-Base interactions energy: -1538.682 where: short stacking energy: -632.957 Base-Backbone interact. energy: -3.203 local terms energy: -669.736511 where: bonds (distance) C4'-P energy: -116.307 bonds (distance) P-C4' energy: -126.023 flat angles C4'-P-C4' energy: -141.996 flat angles P-C4'-P energy: -93.815 tors. eta vs tors. theta energy: -191.596 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: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2166.961574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.961574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.961574 (E_RNA) where: Base-Base interactions energy: -1518.660 where: short stacking energy: -615.013 Base-Backbone interact. energy: -4.214 local terms energy: -644.088142 where: bonds (distance) C4'-P energy: -129.889 bonds (distance) P-C4' energy: -113.540 flat angles C4'-P-C4' energy: -138.688 flat angles P-C4'-P energy: -85.395 tors. eta vs tors. theta energy: -176.577 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: 7 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2115.519508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.519508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.519508 (E_RNA) where: Base-Base interactions energy: -1463.431 where: short stacking energy: -629.473 Base-Backbone interact. energy: -1.874 local terms energy: -650.214755 where: bonds (distance) C4'-P energy: -123.347 bonds (distance) P-C4' energy: -117.311 flat angles C4'-P-C4' energy: -127.293 flat angles P-C4'-P energy: -85.397 tors. eta vs tors. theta energy: -196.867 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: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1975.634987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.634987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.634987 (E_RNA) where: Base-Base interactions energy: -1367.484 where: short stacking energy: -571.672 Base-Backbone interact. energy: -3.229 local terms energy: -604.922109 where: bonds (distance) C4'-P energy: -108.441 bonds (distance) P-C4' energy: -96.771 flat angles C4'-P-C4' energy: -139.275 flat angles P-C4'-P energy: -86.599 tors. eta vs tors. theta energy: -173.835 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: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1805.478152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.478152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.478152 (E_RNA) where: Base-Base interactions energy: -1222.328 where: short stacking energy: -521.066 Base-Backbone interact. energy: -3.836 local terms energy: -579.314452 where: bonds (distance) C4'-P energy: -105.833 bonds (distance) P-C4' energy: -110.146 flat angles C4'-P-C4' energy: -128.750 flat angles P-C4'-P energy: -88.724 tors. eta vs tors. theta energy: -145.861 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: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1605.903608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.903608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.903608 (E_RNA) where: Base-Base interactions energy: -1065.025 where: short stacking energy: -485.889 Base-Backbone interact. energy: -1.066 local terms energy: -539.812110 where: bonds (distance) C4'-P energy: -96.865 bonds (distance) P-C4' energy: -114.177 flat angles C4'-P-C4' energy: -125.610 flat angles P-C4'-P energy: -82.641 tors. eta vs tors. theta energy: -120.519 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: 7, replica: 9 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1400.092840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.092840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.092840 (E_RNA) where: Base-Base interactions energy: -914.332 where: short stacking energy: -400.275 Base-Backbone interact. energy: -1.814 local terms energy: -483.946558 where: bonds (distance) C4'-P energy: -81.779 bonds (distance) P-C4' energy: -111.098 flat angles C4'-P-C4' energy: -106.787 flat angles P-C4'-P energy: -85.758 tors. eta vs tors. theta energy: -98.525 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: 2 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1057.631694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.631694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.631694 (E_RNA) where: Base-Base interactions energy: -628.824 where: short stacking energy: -292.935 Base-Backbone interact. energy: -2.058 local terms energy: -426.749627 where: bonds (distance) C4'-P energy: -100.006 bonds (distance) P-C4' energy: -98.096 flat angles C4'-P-C4' energy: -93.004 flat angles P-C4'-P energy: -78.158 tors. eta vs tors. theta energy: -57.485 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: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -845.647742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.647742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.647742 (E_RNA) where: Base-Base interactions energy: -464.320 where: short stacking energy: -225.687 Base-Backbone interact. energy: -1.081 local terms energy: -380.247290 where: bonds (distance) C4'-P energy: -98.206 bonds (distance) P-C4' energy: -104.046 flat angles C4'-P-C4' energy: -104.417 flat angles P-C4'-P energy: -61.360 tors. eta vs tors. theta energy: -12.218 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: 10, replica: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -743.824048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.824048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.824048 (E_RNA) where: Base-Base interactions energy: -414.350 where: short stacking energy: -231.673 Base-Backbone interact. energy: -3.426 local terms energy: -326.048681 where: bonds (distance) C4'-P energy: -83.456 bonds (distance) P-C4' energy: -104.232 flat angles C4'-P-C4' energy: -79.999 flat angles P-C4'-P energy: -43.255 tors. eta vs tors. theta energy: -15.106 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: 363 Temperature: 0.900000 Total energy: -2253.904173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.904173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.904173 (E_RNA) where: Base-Base interactions energy: -1573.519 where: short stacking energy: -662.322 Base-Backbone interact. energy: -3.565 local terms energy: -676.820444 where: bonds (distance) C4'-P energy: -116.806 bonds (distance) P-C4' energy: -122.763 flat angles C4'-P-C4' energy: -152.534 flat angles P-C4'-P energy: -99.697 tors. eta vs tors. theta energy: -185.021 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: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2176.863857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.863857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.863857 (E_RNA) where: Base-Base interactions energy: -1519.660 where: short stacking energy: -584.372 Base-Backbone interact. energy: -5.226 local terms energy: -651.978275 where: bonds (distance) C4'-P energy: -114.833 bonds (distance) P-C4' energy: -131.999 flat angles C4'-P-C4' energy: -139.088 flat angles P-C4'-P energy: -97.073 tors. eta vs tors. theta energy: -168.985 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: 3, replica: 7 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2118.951510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.951510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.951510 (E_RNA) where: Base-Base interactions energy: -1461.712 where: short stacking energy: -630.565 Base-Backbone interact. energy: -2.989 local terms energy: -654.251131 where: bonds (distance) C4'-P energy: -122.802 bonds (distance) P-C4' energy: -109.351 flat angles C4'-P-C4' energy: -136.186 flat angles P-C4'-P energy: -93.174 tors. eta vs tors. theta energy: -192.738 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: 4, replica: 4 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1966.695585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.695585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.695585 (E_RNA) where: Base-Base interactions energy: -1364.347 where: short stacking energy: -563.072 Base-Backbone interact. energy: 0.462 local terms energy: -602.810644 where: bonds (distance) C4'-P energy: -115.200 bonds (distance) P-C4' energy: -114.938 flat angles C4'-P-C4' energy: -121.806 flat angles P-C4'-P energy: -90.310 tors. eta vs tors. theta energy: -160.556 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: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1778.538235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.538235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.538235 (E_RNA) where: Base-Base interactions energy: -1228.357 where: short stacking energy: -518.274 Base-Backbone interact. energy: -1.885 local terms energy: -548.297066 where: bonds (distance) C4'-P energy: -104.777 bonds (distance) P-C4' energy: -99.046 flat angles C4'-P-C4' energy: -122.205 flat angles P-C4'-P energy: -76.958 tors. eta vs tors. theta energy: -145.312 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: 6, replica: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1566.123220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.123220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.123220 (E_RNA) where: Base-Base interactions energy: -1020.335 where: short stacking energy: -449.002 Base-Backbone interact. energy: -2.878 local terms energy: -542.909800 where: bonds (distance) C4'-P energy: -108.436 bonds (distance) P-C4' energy: -123.978 flat angles C4'-P-C4' energy: -112.564 flat angles P-C4'-P energy: -81.255 tors. eta vs tors. theta energy: -116.677 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: 7, replica: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1432.504211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.504211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.504211 (E_RNA) where: Base-Base interactions energy: -959.073 where: short stacking energy: -403.741 Base-Backbone interact. energy: -1.808 local terms energy: -471.623048 where: bonds (distance) C4'-P energy: -88.954 bonds (distance) P-C4' energy: -108.749 flat angles C4'-P-C4' energy: -116.826 flat angles P-C4'-P energy: -62.968 tors. eta vs tors. theta energy: -94.125 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: 2 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1095.978666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.978666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.978666 (E_RNA) where: Base-Base interactions energy: -687.234 where: short stacking energy: -313.748 Base-Backbone interact. energy: -1.201 local terms energy: -407.544114 where: bonds (distance) C4'-P energy: -91.063 bonds (distance) P-C4' energy: -91.022 flat angles C4'-P-C4' energy: -101.744 flat angles P-C4'-P energy: -70.041 tors. eta vs tors. theta energy: -53.674 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: 9, replica: 5 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -933.803615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.803615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.803615 (E_RNA) where: Base-Base interactions energy: -537.991 where: short stacking energy: -231.608 Base-Backbone interact. energy: -0.407 local terms energy: -395.405784 where: bonds (distance) C4'-P energy: -90.014 bonds (distance) P-C4' energy: -119.312 flat angles C4'-P-C4' energy: -101.142 flat angles P-C4'-P energy: -76.381 tors. eta vs tors. theta energy: -8.557 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: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -793.801870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.801870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.801870 (E_RNA) where: Base-Base interactions energy: -413.397 where: short stacking energy: -221.855 Base-Backbone interact. energy: -1.107 local terms energy: -379.297924 where: bonds (distance) C4'-P energy: -114.651 bonds (distance) P-C4' energy: -117.481 flat angles C4'-P-C4' energy: -90.249 flat angles P-C4'-P energy: -51.761 tors. eta vs tors. theta energy: -5.157 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: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2249.993051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.993051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.993051 (E_RNA) where: Base-Base interactions energy: -1581.938 where: short stacking energy: -661.230 Base-Backbone interact. energy: -0.933 local terms energy: -667.121981 where: bonds (distance) C4'-P energy: -114.118 bonds (distance) P-C4' energy: -122.955 flat angles C4'-P-C4' energy: -148.410 flat angles P-C4'-P energy: -98.696 tors. eta vs tors. theta energy: -182.943 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: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2191.570005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.570005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.570005 (E_RNA) where: Base-Base interactions energy: -1545.762 where: short stacking energy: -595.300 Base-Backbone interact. energy: -1.483 local terms energy: -644.325155 where: bonds (distance) C4'-P energy: -118.649 bonds (distance) P-C4' energy: -135.305 flat angles C4'-P-C4' energy: -137.414 flat angles P-C4'-P energy: -83.898 tors. eta vs tors. theta energy: -169.060 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: 7 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2103.013891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.013891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.013891 (E_RNA) where: Base-Base interactions energy: -1429.454 where: short stacking energy: -618.529 Base-Backbone interact. energy: -0.474 local terms energy: -673.085383 where: bonds (distance) C4'-P energy: -111.817 bonds (distance) P-C4' energy: -134.166 flat angles C4'-P-C4' energy: -133.173 flat angles P-C4'-P energy: -100.727 tors. eta vs tors. theta energy: -193.203 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: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2020.569572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.569572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.569572 (E_RNA) where: Base-Base interactions energy: -1405.391 where: short stacking energy: -574.491 Base-Backbone interact. energy: -0.130 local terms energy: -615.047775 where: bonds (distance) C4'-P energy: -110.947 bonds (distance) P-C4' energy: -123.700 flat angles C4'-P-C4' energy: -132.888 flat angles P-C4'-P energy: -82.497 tors. eta vs tors. theta energy: -165.016 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: 6 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1819.531581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.531581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.531581 (E_RNA) where: Base-Base interactions energy: -1242.535 where: short stacking energy: -511.462 Base-Backbone interact. energy: -2.919 local terms energy: -574.077884 where: bonds (distance) C4'-P energy: -108.718 bonds (distance) P-C4' energy: -123.799 flat angles C4'-P-C4' energy: -126.201 flat angles P-C4'-P energy: -67.683 tors. eta vs tors. theta energy: -147.676 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: 8 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1579.406206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.406206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.406206 (E_RNA) where: Base-Base interactions energy: -1066.319 where: short stacking energy: -461.086 Base-Backbone interact. energy: 3.970 local terms energy: -517.057236 where: bonds (distance) C4'-P energy: -109.598 bonds (distance) P-C4' energy: -106.100 flat angles C4'-P-C4' energy: -113.693 flat angles P-C4'-P energy: -78.755 tors. eta vs tors. theta energy: -108.912 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: 7, replica: 9 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1352.234081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.234081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.234081 (E_RNA) where: Base-Base interactions energy: -905.787 where: short stacking energy: -374.603 Base-Backbone interact. energy: 1.834 local terms energy: -448.281364 where: bonds (distance) C4'-P energy: -94.706 bonds (distance) P-C4' energy: -107.340 flat angles C4'-P-C4' energy: -108.654 flat angles P-C4'-P energy: -58.483 tors. eta vs tors. theta energy: -79.099 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: 8, replica: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1096.865179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.865179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.865179 (E_RNA) where: Base-Base interactions energy: -663.592 where: short stacking energy: -338.151 Base-Backbone interact. energy: 5.120 local terms energy: -438.393626 where: bonds (distance) C4'-P energy: -99.452 bonds (distance) P-C4' energy: -122.818 flat angles C4'-P-C4' energy: -99.077 flat angles P-C4'-P energy: -62.202 tors. eta vs tors. theta energy: -54.845 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: 5 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -903.307754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.307754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.307754 (E_RNA) where: Base-Base interactions energy: -499.844 where: short stacking energy: -261.276 Base-Backbone interact. energy: 0.060 local terms energy: -403.523060 where: bonds (distance) C4'-P energy: -90.515 bonds (distance) P-C4' energy: -115.851 flat angles C4'-P-C4' energy: -103.713 flat angles P-C4'-P energy: -50.825 tors. eta vs tors. theta energy: -42.620 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: 10, replica: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -803.988914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.988914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.988914 (E_RNA) where: Base-Base interactions energy: -472.047 where: short stacking energy: -247.750 Base-Backbone interact. energy: -2.579 local terms energy: -329.362963 where: bonds (distance) C4'-P energy: -94.620 bonds (distance) P-C4' energy: -97.804 flat angles C4'-P-C4' energy: -93.314 flat angles P-C4'-P energy: -37.379 tors. eta vs tors. theta energy: -6.247 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: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2242.898001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.898001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.898001 (E_RNA) where: Base-Base interactions energy: -1548.873 where: short stacking energy: -644.786 Base-Backbone interact. energy: -0.453 local terms energy: -693.571821 where: bonds (distance) C4'-P energy: -130.773 bonds (distance) P-C4' energy: -130.454 flat angles C4'-P-C4' energy: -139.953 flat angles P-C4'-P energy: -102.756 tors. eta vs tors. theta energy: -189.635 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: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2182.075598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.075598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.075598 (E_RNA) where: Base-Base interactions energy: -1513.098 where: short stacking energy: -600.414 Base-Backbone interact. energy: -4.594 local terms energy: -664.384094 where: bonds (distance) C4'-P energy: -124.775 bonds (distance) P-C4' energy: -117.922 flat angles C4'-P-C4' energy: -144.208 flat angles P-C4'-P energy: -106.337 tors. eta vs tors. theta energy: -171.141 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: 3, replica: 7 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2094.795920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.795920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.795920 (E_RNA) where: Base-Base interactions energy: -1434.859 where: short stacking energy: -601.970 Base-Backbone interact. energy: -2.297 local terms energy: -657.639877 where: bonds (distance) C4'-P energy: -128.502 bonds (distance) P-C4' energy: -129.163 flat angles C4'-P-C4' energy: -138.957 flat angles P-C4'-P energy: -81.352 tors. eta vs tors. theta energy: -179.666 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: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2002.115843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.115843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.115843 (E_RNA) where: Base-Base interactions energy: -1379.916 where: short stacking energy: -573.115 Base-Backbone interact. energy: 0.936 local terms energy: -623.135593 where: bonds (distance) C4'-P energy: -110.842 bonds (distance) P-C4' energy: -110.199 flat angles C4'-P-C4' energy: -135.059 flat angles P-C4'-P energy: -94.775 tors. eta vs tors. theta energy: -172.260 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: 5, replica: 6 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1753.490016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.490016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.490016 (E_RNA) where: Base-Base interactions energy: -1208.509 where: short stacking energy: -496.867 Base-Backbone interact. energy: 0.603 local terms energy: -545.584089 where: bonds (distance) C4'-P energy: -110.411 bonds (distance) P-C4' energy: -115.240 flat angles C4'-P-C4' energy: -125.060 flat angles P-C4'-P energy: -63.955 tors. eta vs tors. theta energy: -130.919 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: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1554.753612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.753612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.753612 (E_RNA) where: Base-Base interactions energy: -1023.553 where: short stacking energy: -465.150 Base-Backbone interact. energy: 0.565 local terms energy: -531.765422 where: bonds (distance) C4'-P energy: -98.996 bonds (distance) P-C4' energy: -113.531 flat angles C4'-P-C4' energy: -113.565 flat angles P-C4'-P energy: -84.181 tors. eta vs tors. theta energy: -121.493 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: 9 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1377.052768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.052768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.052768 (E_RNA) where: Base-Base interactions energy: -906.114 where: short stacking energy: -388.272 Base-Backbone interact. energy: 1.480 local terms energy: -472.419103 where: bonds (distance) C4'-P energy: -99.809 bonds (distance) P-C4' energy: -104.981 flat angles C4'-P-C4' energy: -110.265 flat angles P-C4'-P energy: -70.201 tors. eta vs tors. theta energy: -87.164 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: 2 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1050.523866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.523866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.523866 (E_RNA) where: Base-Base interactions energy: -631.632 where: short stacking energy: -308.560 Base-Backbone interact. energy: 0.531 local terms energy: -419.423138 where: bonds (distance) C4'-P energy: -99.469 bonds (distance) P-C4' energy: -94.786 flat angles C4'-P-C4' energy: -106.300 flat angles P-C4'-P energy: -63.043 tors. eta vs tors. theta energy: -55.825 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: 9, replica: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -900.392729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.392729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.392729 (E_RNA) where: Base-Base interactions energy: -496.736 where: short stacking energy: -236.616 Base-Backbone interact. energy: -2.346 local terms energy: -401.310825 where: bonds (distance) C4'-P energy: -112.669 bonds (distance) P-C4' energy: -122.053 flat angles C4'-P-C4' energy: -101.164 flat angles P-C4'-P energy: -46.207 tors. eta vs tors. theta energy: -19.218 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: 10, replica: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -824.494353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.494353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.494353 (E_RNA) where: Base-Base interactions energy: -453.960 where: short stacking energy: -241.169 Base-Backbone interact. energy: -1.875 local terms energy: -368.658979 where: bonds (distance) C4'-P energy: -111.202 bonds (distance) P-C4' energy: -91.039 flat angles C4'-P-C4' energy: -90.231 flat angles P-C4'-P energy: -54.558 tors. eta vs tors. theta energy: -21.629 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: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2228.198040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.198040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.198040 (E_RNA) where: Base-Base interactions energy: -1561.869 where: short stacking energy: -650.551 Base-Backbone interact. energy: -1.337 local terms energy: -664.992417 where: bonds (distance) C4'-P energy: -118.445 bonds (distance) P-C4' energy: -117.943 flat angles C4'-P-C4' energy: -143.109 flat angles P-C4'-P energy: -92.125 tors. eta vs tors. theta energy: -193.371 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: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2176.228089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.228089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.228089 (E_RNA) where: Base-Base interactions energy: -1523.870 where: short stacking energy: -613.354 Base-Backbone interact. energy: -1.668 local terms energy: -650.690368 where: bonds (distance) C4'-P energy: -120.754 bonds (distance) P-C4' energy: -135.428 flat angles C4'-P-C4' energy: -139.986 flat angles P-C4'-P energy: -84.946 tors. eta vs tors. theta energy: -169.576 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: 3, replica: 7 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2087.843317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.843317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.843317 (E_RNA) where: Base-Base interactions energy: -1429.142 where: short stacking energy: -608.918 Base-Backbone interact. energy: 0.288 local terms energy: -658.988942 where: bonds (distance) C4'-P energy: -122.998 bonds (distance) P-C4' energy: -120.539 flat angles C4'-P-C4' energy: -133.138 flat angles P-C4'-P energy: -93.588 tors. eta vs tors. theta energy: -188.726 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: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2020.116186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.116186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.116186 (E_RNA) where: Base-Base interactions energy: -1398.555 where: short stacking energy: -598.281 Base-Backbone interact. energy: -1.373 local terms energy: -620.187674 where: bonds (distance) C4'-P energy: -106.060 bonds (distance) P-C4' energy: -113.326 flat angles C4'-P-C4' energy: -124.506 flat angles P-C4'-P energy: -97.639 tors. eta vs tors. theta energy: -178.656 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: 5, replica: 6 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1756.796156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.796156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.796156 (E_RNA) where: Base-Base interactions energy: -1230.723 where: short stacking energy: -515.919 Base-Backbone interact. energy: 1.118 local terms energy: -527.190336 where: bonds (distance) C4'-P energy: -81.666 bonds (distance) P-C4' energy: -97.596 flat angles C4'-P-C4' energy: -119.976 flat angles P-C4'-P energy: -92.049 tors. eta vs tors. theta energy: -135.903 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: 6, replica: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1555.846917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.846917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.846917 (E_RNA) where: Base-Base interactions energy: -1034.153 where: short stacking energy: -421.439 Base-Backbone interact. energy: -2.072 local terms energy: -519.622379 where: bonds (distance) C4'-P energy: -110.897 bonds (distance) P-C4' energy: -113.425 flat angles C4'-P-C4' energy: -121.815 flat angles P-C4'-P energy: -75.228 tors. eta vs tors. theta energy: -98.258 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: 9 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1480.900099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.900099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.900099 (E_RNA) where: Base-Base interactions energy: -978.332 where: short stacking energy: -438.947 Base-Backbone interact. energy: -3.189 local terms energy: -499.378453 where: bonds (distance) C4'-P energy: -109.402 bonds (distance) P-C4' energy: -103.647 flat angles C4'-P-C4' energy: -126.313 flat angles P-C4'-P energy: -53.564 tors. eta vs tors. theta energy: -106.453 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: 8, replica: 2 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1069.911711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.911711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.911711 (E_RNA) where: Base-Base interactions energy: -624.059 where: short stacking energy: -311.701 Base-Backbone interact. energy: -0.821 local terms energy: -445.031009 where: bonds (distance) C4'-P energy: -106.102 bonds (distance) P-C4' energy: -108.956 flat angles C4'-P-C4' energy: -91.609 flat angles P-C4'-P energy: -71.728 tors. eta vs tors. theta energy: -66.636 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: 9, replica: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -864.677635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.677635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.677635 (E_RNA) where: Base-Base interactions energy: -463.906 where: short stacking energy: -246.404 Base-Backbone interact. energy: -0.431 local terms energy: -400.340554 where: bonds (distance) C4'-P energy: -98.977 bonds (distance) P-C4' energy: -108.629 flat angles C4'-P-C4' energy: -94.697 flat angles P-C4'-P energy: -69.085 tors. eta vs tors. theta energy: -28.953 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: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -747.740517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.740517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.740517 (E_RNA) where: Base-Base interactions energy: -401.118 where: short stacking energy: -186.225 Base-Backbone interact. energy: 3.872 local terms energy: -350.494407 where: bonds (distance) C4'-P energy: -89.789 bonds (distance) P-C4' energy: -113.997 flat angles C4'-P-C4' energy: -84.677 flat angles P-C4'-P energy: -62.040 tors. eta vs tors. theta energy: 0.010 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: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2225.473705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.473705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.473705 (E_RNA) where: Base-Base interactions energy: -1553.432 where: short stacking energy: -639.196 Base-Backbone interact. energy: -2.591 local terms energy: -669.450120 where: bonds (distance) C4'-P energy: -123.414 bonds (distance) P-C4' energy: -134.952 flat angles C4'-P-C4' energy: -140.372 flat angles P-C4'-P energy: -77.867 tors. eta vs tors. theta energy: -192.846 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: 2, replica: 7 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2151.170437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.170437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.170437 (E_RNA) where: Base-Base interactions energy: -1489.864 where: short stacking energy: -619.111 Base-Backbone interact. energy: 0.919 local terms energy: -662.225578 where: bonds (distance) C4'-P energy: -115.589 bonds (distance) P-C4' energy: -127.578 flat angles C4'-P-C4' energy: -141.506 flat angles P-C4'-P energy: -93.587 tors. eta vs tors. theta energy: -183.965 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: 1 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2109.108023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.108023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.108023 (E_RNA) where: Base-Base interactions energy: -1476.136 where: short stacking energy: -585.216 Base-Backbone interact. energy: -2.464 local terms energy: -630.508201 where: bonds (distance) C4'-P energy: -122.859 bonds (distance) P-C4' energy: -121.904 flat angles C4'-P-C4' energy: -134.970 flat angles P-C4'-P energy: -78.872 tors. eta vs tors. theta energy: -171.903 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: 4, replica: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2006.615489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.615489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.615489 (E_RNA) where: Base-Base interactions energy: -1377.179 where: short stacking energy: -571.610 Base-Backbone interact. energy: -3.917 local terms energy: -625.520263 where: bonds (distance) C4'-P energy: -107.805 bonds (distance) P-C4' energy: -115.589 flat angles C4'-P-C4' energy: -146.895 flat angles P-C4'-P energy: -96.277 tors. eta vs tors. theta energy: -158.954 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: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1797.113204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.113204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.113204 (E_RNA) where: Base-Base interactions energy: -1225.441 where: short stacking energy: -539.352 Base-Backbone interact. energy: -2.810 local terms energy: -568.862427 where: bonds (distance) C4'-P energy: -109.373 bonds (distance) P-C4' energy: -110.861 flat angles C4'-P-C4' energy: -112.794 flat angles P-C4'-P energy: -85.543 tors. eta vs tors. theta energy: -150.291 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: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1535.577276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.577276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.577276 (E_RNA) where: Base-Base interactions energy: -1013.658 where: short stacking energy: -431.973 Base-Backbone interact. energy: -3.980 local terms energy: -517.939729 where: bonds (distance) C4'-P energy: -111.100 bonds (distance) P-C4' energy: -103.341 flat angles C4'-P-C4' energy: -116.840 flat angles P-C4'-P energy: -69.939 tors. eta vs tors. theta energy: -116.719 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: 7, replica: 9 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1483.370286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.370286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.370286 (E_RNA) where: Base-Base interactions energy: -977.583 where: short stacking energy: -414.822 Base-Backbone interact. energy: -2.265 local terms energy: -503.522376 where: bonds (distance) C4'-P energy: -104.207 bonds (distance) P-C4' energy: -114.959 flat angles C4'-P-C4' energy: -115.211 flat angles P-C4'-P energy: -68.797 tors. eta vs tors. theta energy: -100.349 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: 8, replica: 2 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1033.437950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.437950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.437950 (E_RNA) where: Base-Base interactions energy: -613.993 where: short stacking energy: -267.104 Base-Backbone interact. energy: -1.429 local terms energy: -418.015676 where: bonds (distance) C4'-P energy: -98.528 bonds (distance) P-C4' energy: -109.326 flat angles C4'-P-C4' energy: -105.544 flat angles P-C4'-P energy: -63.658 tors. eta vs tors. theta energy: -40.959 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: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -827.565808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.565808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.565808 (E_RNA) where: Base-Base interactions energy: -441.107 where: short stacking energy: -205.828 Base-Backbone interact. energy: 0.420 local terms energy: -386.878676 where: bonds (distance) C4'-P energy: -114.390 bonds (distance) P-C4' energy: -104.424 flat angles C4'-P-C4' energy: -93.844 flat angles P-C4'-P energy: -49.730 tors. eta vs tors. theta energy: -24.490 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: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -780.260993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.260993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.260993 (E_RNA) where: Base-Base interactions energy: -421.233 where: short stacking energy: -187.509 Base-Backbone interact. energy: -1.166 local terms energy: -357.861770 where: bonds (distance) C4'-P energy: -88.832 bonds (distance) P-C4' energy: -108.969 flat angles C4'-P-C4' energy: -111.903 flat angles P-C4'-P energy: -48.909 tors. eta vs tors. theta energy: 0.751 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: 1, replica: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2243.441377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.441377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.441377 (E_RNA) where: Base-Base interactions energy: -1557.212 where: short stacking energy: -660.130 Base-Backbone interact. energy: -3.982 local terms energy: -682.246510 where: bonds (distance) C4'-P energy: -108.769 bonds (distance) P-C4' energy: -136.690 flat angles C4'-P-C4' energy: -146.757 flat angles P-C4'-P energy: -105.586 tors. eta vs tors. theta energy: -184.444 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: 2, replica: 7 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2132.742423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.742423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.742423 (E_RNA) where: Base-Base interactions energy: -1467.304 where: short stacking energy: -631.803 Base-Backbone interact. energy: -4.490 local terms energy: -660.948652 where: bonds (distance) C4'-P energy: -126.415 bonds (distance) P-C4' energy: -116.693 flat angles C4'-P-C4' energy: -150.112 flat angles P-C4'-P energy: -88.404 tors. eta vs tors. theta energy: -179.325 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: 3, replica: 1 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2116.055520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.055520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.055520 (E_RNA) where: Base-Base interactions energy: -1476.620 where: short stacking energy: -586.760 Base-Backbone interact. energy: -2.505 local terms energy: -636.930259 where: bonds (distance) C4'-P energy: -127.780 bonds (distance) P-C4' energy: -122.036 flat angles C4'-P-C4' energy: -141.145 flat angles P-C4'-P energy: -84.138 tors. eta vs tors. theta energy: -161.832 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: 4, replica: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1981.517816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.517816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.517816 (E_RNA) where: Base-Base interactions energy: -1357.941 where: short stacking energy: -563.589 Base-Backbone interact. energy: -1.762 local terms energy: -621.814893 where: bonds (distance) C4'-P energy: -105.506 bonds (distance) P-C4' energy: -119.538 flat angles C4'-P-C4' energy: -134.440 flat angles P-C4'-P energy: -96.065 tors. eta vs tors. theta energy: -166.266 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: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1806.934295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.934295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.934295 (E_RNA) where: Base-Base interactions energy: -1251.166 where: short stacking energy: -537.698 Base-Backbone interact. energy: 0.287 local terms energy: -556.054467 where: bonds (distance) C4'-P energy: -103.542 bonds (distance) P-C4' energy: -112.956 flat angles C4'-P-C4' energy: -124.608 flat angles P-C4'-P energy: -77.439 tors. eta vs tors. theta energy: -137.509 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: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1594.163515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.163515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.163515 (E_RNA) where: Base-Base interactions energy: -1041.741 where: short stacking energy: -465.264 Base-Backbone interact. energy: -2.059 local terms energy: -550.363816 where: bonds (distance) C4'-P energy: -105.164 bonds (distance) P-C4' energy: -111.344 flat angles C4'-P-C4' energy: -119.772 flat angles P-C4'-P energy: -91.487 tors. eta vs tors. theta energy: -122.596 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: 7, replica: 9 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1525.705140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.705140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.705140 (E_RNA) where: Base-Base interactions energy: -1019.155 where: short stacking energy: -439.983 Base-Backbone interact. energy: 0.334 local terms energy: -506.884646 where: bonds (distance) C4'-P energy: -96.422 bonds (distance) P-C4' energy: -120.236 flat angles C4'-P-C4' energy: -104.166 flat angles P-C4'-P energy: -77.973 tors. eta vs tors. theta energy: -108.087 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: 2 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1003.577911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.577911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.577911 (E_RNA) where: Base-Base interactions energy: -568.368 where: short stacking energy: -289.062 Base-Backbone interact. energy: 5.876 local terms energy: -441.085602 where: bonds (distance) C4'-P energy: -94.537 bonds (distance) P-C4' energy: -117.330 flat angles C4'-P-C4' energy: -109.938 flat angles P-C4'-P energy: -61.229 tors. eta vs tors. theta energy: -58.052 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: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -789.006671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.006671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.006671 (E_RNA) where: Base-Base interactions energy: -462.345 where: short stacking energy: -240.253 Base-Backbone interact. energy: -0.667 local terms energy: -325.995140 where: bonds (distance) C4'-P energy: -75.960 bonds (distance) P-C4' energy: -96.410 flat angles C4'-P-C4' energy: -87.863 flat angles P-C4'-P energy: -66.075 tors. eta vs tors. theta energy: 0.314 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: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -702.945911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.945911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.945911 (E_RNA) where: Base-Base interactions energy: -353.688 where: short stacking energy: -174.131 Base-Backbone interact. energy: 0.595 local terms energy: -349.853567 where: bonds (distance) C4'-P energy: -99.519 bonds (distance) P-C4' energy: -113.422 flat angles C4'-P-C4' energy: -96.982 flat angles P-C4'-P energy: -36.533 tors. eta vs tors. theta energy: -3.398 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: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2230.210253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.210253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.210253 (E_RNA) where: Base-Base interactions energy: -1545.076 where: short stacking energy: -643.479 Base-Backbone interact. energy: -2.301 local terms energy: -682.833644 where: bonds (distance) C4'-P energy: -116.547 bonds (distance) P-C4' energy: -126.809 flat angles C4'-P-C4' energy: -146.069 flat angles P-C4'-P energy: -103.096 tors. eta vs tors. theta energy: -190.314 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: 369 Temperature: 0.950000 Total energy: -2177.598262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.598262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.598262 (E_RNA) where: Base-Base interactions energy: -1522.009 where: short stacking energy: -620.179 Base-Backbone interact. energy: -3.420 local terms energy: -652.169084 where: bonds (distance) C4'-P energy: -125.887 bonds (distance) P-C4' energy: -126.868 flat angles C4'-P-C4' energy: -142.655 flat angles P-C4'-P energy: -85.023 tors. eta vs tors. theta energy: -171.736 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: 7 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2109.522287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.522287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.522287 (E_RNA) where: Base-Base interactions energy: -1453.434 where: short stacking energy: -602.681 Base-Backbone interact. energy: -3.032 local terms energy: -653.056718 where: bonds (distance) C4'-P energy: -116.372 bonds (distance) P-C4' energy: -129.710 flat angles C4'-P-C4' energy: -133.019 flat angles P-C4'-P energy: -89.968 tors. eta vs tors. theta energy: -183.988 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: 4 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1991.256529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.256529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.256529 (E_RNA) where: Base-Base interactions energy: -1372.305 where: short stacking energy: -549.382 Base-Backbone interact. energy: -2.185 local terms energy: -616.765988 where: bonds (distance) C4'-P energy: -116.090 bonds (distance) P-C4' energy: -126.356 flat angles C4'-P-C4' energy: -134.853 flat angles P-C4'-P energy: -83.236 tors. eta vs tors. theta energy: -156.231 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: 6 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1806.749562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.749562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.749562 (E_RNA) where: Base-Base interactions energy: -1258.315 where: short stacking energy: -523.835 Base-Backbone interact. energy: -1.636 local terms energy: -546.798594 where: bonds (distance) C4'-P energy: -95.514 bonds (distance) P-C4' energy: -112.847 flat angles C4'-P-C4' energy: -135.729 flat angles P-C4'-P energy: -59.831 tors. eta vs tors. theta energy: -142.877 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: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1516.050064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.050064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.050064 (E_RNA) where: Base-Base interactions energy: -1008.166 where: short stacking energy: -407.641 Base-Backbone interact. energy: -1.355 local terms energy: -506.529058 where: bonds (distance) C4'-P energy: -124.469 bonds (distance) P-C4' energy: -95.065 flat angles C4'-P-C4' energy: -101.530 flat angles P-C4'-P energy: -86.190 tors. eta vs tors. theta energy: -99.274 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: 7, replica: 9 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1471.551255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.551255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.551255 (E_RNA) where: Base-Base interactions energy: -970.359 where: short stacking energy: -426.230 Base-Backbone interact. energy: -1.851 local terms energy: -499.341794 where: bonds (distance) C4'-P energy: -104.900 bonds (distance) P-C4' energy: -96.138 flat angles C4'-P-C4' energy: -116.644 flat angles P-C4'-P energy: -75.383 tors. eta vs tors. theta energy: -106.277 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: 2 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1020.182286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.182286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.182286 (E_RNA) where: Base-Base interactions energy: -618.840 where: short stacking energy: -293.797 Base-Backbone interact. energy: 0.588 local terms energy: -401.929973 where: bonds (distance) C4'-P energy: -100.186 bonds (distance) P-C4' energy: -100.966 flat angles C4'-P-C4' energy: -103.284 flat angles P-C4'-P energy: -47.439 tors. eta vs tors. theta energy: -50.055 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: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -836.220786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.220786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.220786 (E_RNA) where: Base-Base interactions energy: -459.470 where: short stacking energy: -243.126 Base-Backbone interact. energy: 0.336 local terms energy: -377.086715 where: bonds (distance) C4'-P energy: -99.669 bonds (distance) P-C4' energy: -91.069 flat angles C4'-P-C4' energy: -98.262 flat angles P-C4'-P energy: -63.027 tors. eta vs tors. theta energy: -25.059 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: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -714.083080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.083080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.083080 (E_RNA) where: Base-Base interactions energy: -388.326 where: short stacking energy: -197.140 Base-Backbone interact. energy: -1.320 local terms energy: -324.437029 where: bonds (distance) C4'-P energy: -92.233 bonds (distance) P-C4' energy: -97.260 flat angles C4'-P-C4' energy: -92.110 flat angles P-C4'-P energy: -48.199 tors. eta vs tors. theta energy: 5.366 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: 1, replica: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2250.939639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.939639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.939639 (E_RNA) where: Base-Base interactions energy: -1583.068 where: short stacking energy: -650.951 Base-Backbone interact. energy: -2.013 local terms energy: -665.858696 where: bonds (distance) C4'-P energy: -132.289 bonds (distance) P-C4' energy: -120.344 flat angles C4'-P-C4' energy: -146.558 flat angles P-C4'-P energy: -78.493 tors. eta vs tors. theta energy: -188.175 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: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2174.446648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.446648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.446648 (E_RNA) where: Base-Base interactions energy: -1531.454 where: short stacking energy: -608.991 Base-Backbone interact. energy: -0.860 local terms energy: -642.133569 where: bonds (distance) C4'-P energy: -111.442 bonds (distance) P-C4' energy: -134.001 flat angles C4'-P-C4' energy: -132.710 flat angles P-C4'-P energy: -90.579 tors. eta vs tors. theta energy: -173.402 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: 7 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2097.575396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.575396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.575396 (E_RNA) where: Base-Base interactions energy: -1450.827 where: short stacking energy: -613.651 Base-Backbone interact. energy: -2.580 local terms energy: -644.167909 where: bonds (distance) C4'-P energy: -117.007 bonds (distance) P-C4' energy: -117.336 flat angles C4'-P-C4' energy: -138.931 flat angles P-C4'-P energy: -89.447 tors. eta vs tors. theta energy: -181.447 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: 4 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1982.839298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.839298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.839298 (E_RNA) where: Base-Base interactions energy: -1377.745 where: short stacking energy: -569.939 Base-Backbone interact. energy: -2.614 local terms energy: -602.480313 where: bonds (distance) C4'-P energy: -115.705 bonds (distance) P-C4' energy: -123.225 flat angles C4'-P-C4' energy: -116.209 flat angles P-C4'-P energy: -91.031 tors. eta vs tors. theta energy: -156.310 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: 6 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1825.196778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.196778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.196778 (E_RNA) where: Base-Base interactions energy: -1274.296 where: short stacking energy: -521.400 Base-Backbone interact. energy: -4.933 local terms energy: -545.968279 where: bonds (distance) C4'-P energy: -98.826 bonds (distance) P-C4' energy: -111.988 flat angles C4'-P-C4' energy: -123.258 flat angles P-C4'-P energy: -77.351 tors. eta vs tors. theta energy: -134.545 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: 6, replica: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1553.007852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.007852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.007852 (E_RNA) where: Base-Base interactions energy: -1007.941 where: short stacking energy: -401.047 Base-Backbone interact. energy: 1.396 local terms energy: -546.462794 where: bonds (distance) C4'-P energy: -120.402 bonds (distance) P-C4' energy: -113.841 flat angles C4'-P-C4' energy: -129.052 flat angles P-C4'-P energy: -81.132 tors. eta vs tors. theta energy: -102.036 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: 7, replica: 9 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1382.050771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.050771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.050771 (E_RNA) where: Base-Base interactions energy: -915.769 where: short stacking energy: -399.011 Base-Backbone interact. energy: -1.462 local terms energy: -464.819698 where: bonds (distance) C4'-P energy: -107.717 bonds (distance) P-C4' energy: -98.724 flat angles C4'-P-C4' energy: -108.725 flat angles P-C4'-P energy: -69.251 tors. eta vs tors. theta energy: -80.403 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: 8, replica: 2 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1055.797034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.797034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.797034 (E_RNA) where: Base-Base interactions energy: -647.344 where: short stacking energy: -304.486 Base-Backbone interact. energy: -1.637 local terms energy: -406.816649 where: bonds (distance) C4'-P energy: -97.518 bonds (distance) P-C4' energy: -106.445 flat angles C4'-P-C4' energy: -94.668 flat angles P-C4'-P energy: -75.936 tors. eta vs tors. theta energy: -32.249 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: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -847.849862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.849862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.849862 (E_RNA) where: Base-Base interactions energy: -469.391 where: short stacking energy: -245.402 Base-Backbone interact. energy: -3.179 local terms energy: -375.279604 where: bonds (distance) C4'-P energy: -102.503 bonds (distance) P-C4' energy: -86.800 flat angles C4'-P-C4' energy: -94.625 flat angles P-C4'-P energy: -61.922 tors. eta vs tors. theta energy: -29.430 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: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -743.126552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.126552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.126552 (E_RNA) where: Base-Base interactions energy: -380.105 where: short stacking energy: -207.707 Base-Backbone interact. energy: 0.977 local terms energy: -363.998562 where: bonds (distance) C4'-P energy: -98.090 bonds (distance) P-C4' energy: -102.862 flat angles C4'-P-C4' energy: -90.780 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: -18.268 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: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2284.852473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.852473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.852473 (E_RNA) where: Base-Base interactions energy: -1591.605 where: short stacking energy: -663.637 Base-Backbone interact. energy: -0.958 local terms energy: -692.289862 where: bonds (distance) C4'-P energy: -130.392 bonds (distance) P-C4' energy: -143.699 flat angles C4'-P-C4' energy: -137.919 flat angles P-C4'-P energy: -88.753 tors. eta vs tors. theta energy: -191.527 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: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2182.055098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.055098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.055098 (E_RNA) where: Base-Base interactions energy: -1526.600 where: short stacking energy: -619.276 Base-Backbone interact. energy: 0.469 local terms energy: -655.924377 where: bonds (distance) C4'-P energy: -128.819 bonds (distance) P-C4' energy: -122.237 flat angles C4'-P-C4' energy: -134.765 flat angles P-C4'-P energy: -93.192 tors. eta vs tors. theta energy: -176.911 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: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2064.460009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.460009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.460009 (E_RNA) where: Base-Base interactions energy: -1416.418 where: short stacking energy: -612.971 Base-Backbone interact. energy: -2.616 local terms energy: -645.426314 where: bonds (distance) C4'-P energy: -121.928 bonds (distance) P-C4' energy: -120.474 flat angles C4'-P-C4' energy: -127.544 flat angles P-C4'-P energy: -88.377 tors. eta vs tors. theta energy: -187.104 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: 4, replica: 4 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2001.913097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.913097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.913097 (E_RNA) where: Base-Base interactions energy: -1402.959 where: short stacking energy: -574.766 Base-Backbone interact. energy: 8.493 local terms energy: -607.446609 where: bonds (distance) C4'-P energy: -108.617 bonds (distance) P-C4' energy: -120.206 flat angles C4'-P-C4' energy: -136.421 flat angles P-C4'-P energy: -77.012 tors. eta vs tors. theta energy: -165.190 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: 5, replica: 6 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1797.694498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.694498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.694498 (E_RNA) where: Base-Base interactions energy: -1225.735 where: short stacking energy: -525.819 Base-Backbone interact. energy: -2.251 local terms energy: -569.708155 where: bonds (distance) C4'-P energy: -99.244 bonds (distance) P-C4' energy: -120.775 flat angles C4'-P-C4' energy: -109.305 flat angles P-C4'-P energy: -94.919 tors. eta vs tors. theta energy: -145.465 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: 6, replica: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1573.460759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.460759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.460759 (E_RNA) where: Base-Base interactions energy: -1051.537 where: short stacking energy: -451.194 Base-Backbone interact. energy: -4.278 local terms energy: -517.645483 where: bonds (distance) C4'-P energy: -122.572 bonds (distance) P-C4' energy: -97.043 flat angles C4'-P-C4' energy: -113.609 flat angles P-C4'-P energy: -70.664 tors. eta vs tors. theta energy: -113.758 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: 7, replica: 9 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1373.897805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.897805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.897805 (E_RNA) where: Base-Base interactions energy: -889.582 where: short stacking energy: -400.910 Base-Backbone interact. energy: -4.389 local terms energy: -479.926865 where: bonds (distance) C4'-P energy: -98.410 bonds (distance) P-C4' energy: -112.609 flat angles C4'-P-C4' energy: -100.481 flat angles P-C4'-P energy: -73.550 tors. eta vs tors. theta energy: -94.876 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: 8, replica: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1034.847661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.847661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.847661 (E_RNA) where: Base-Base interactions energy: -654.605 where: short stacking energy: -292.433 Base-Backbone interact. energy: -1.182 local terms energy: -379.060479 where: bonds (distance) C4'-P energy: -89.072 bonds (distance) P-C4' energy: -102.303 flat angles C4'-P-C4' energy: -104.360 flat angles P-C4'-P energy: -53.289 tors. eta vs tors. theta energy: -30.036 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: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -860.083308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.083308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.083308 (E_RNA) where: Base-Base interactions energy: -491.459 where: short stacking energy: -242.124 Base-Backbone interact. energy: -3.226 local terms energy: -365.397896 where: bonds (distance) C4'-P energy: -109.376 bonds (distance) P-C4' energy: -97.334 flat angles C4'-P-C4' energy: -102.351 flat angles P-C4'-P energy: -37.676 tors. eta vs tors. theta energy: -18.661 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: 10, replica: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -757.941864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.941864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.941864 (E_RNA) where: Base-Base interactions energy: -398.157 where: short stacking energy: -200.094 Base-Backbone interact. energy: 3.512 local terms energy: -363.296587 where: bonds (distance) C4'-P energy: -94.476 bonds (distance) P-C4' energy: -111.215 flat angles C4'-P-C4' energy: -91.945 flat angles P-C4'-P energy: -63.351 tors. eta vs tors. theta energy: -2.310 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: 372 Temperature: 0.900000 Total energy: -2274.325350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.325350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.325350 (E_RNA) where: Base-Base interactions energy: -1588.522 where: short stacking energy: -665.752 Base-Backbone interact. energy: -3.223 local terms energy: -682.579631 where: bonds (distance) C4'-P energy: -120.800 bonds (distance) P-C4' energy: -123.241 flat angles C4'-P-C4' energy: -145.225 flat angles P-C4'-P energy: -96.623 tors. eta vs tors. theta energy: -196.691 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: 2, replica: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2174.743273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.743273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.743273 (E_RNA) where: Base-Base interactions energy: -1546.831 where: short stacking energy: -586.943 Base-Backbone interact. energy: -3.363 local terms energy: -624.549162 where: bonds (distance) C4'-P energy: -110.609 bonds (distance) P-C4' energy: -122.813 flat angles C4'-P-C4' energy: -141.475 flat angles P-C4'-P energy: -92.691 tors. eta vs tors. theta energy: -156.961 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: 3, replica: 7 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2031.710901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.710901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.710901 (E_RNA) where: Base-Base interactions energy: -1408.885 where: short stacking energy: -588.958 Base-Backbone interact. energy: -2.415 local terms energy: -620.411185 where: bonds (distance) C4'-P energy: -130.898 bonds (distance) P-C4' energy: -110.697 flat angles C4'-P-C4' energy: -118.387 flat angles P-C4'-P energy: -85.052 tors. eta vs tors. theta energy: -175.378 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: 4 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1982.153432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.153432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.153432 (E_RNA) where: Base-Base interactions energy: -1385.660 where: short stacking energy: -555.561 Base-Backbone interact. energy: -2.899 local terms energy: -593.594987 where: bonds (distance) C4'-P energy: -102.670 bonds (distance) P-C4' energy: -118.456 flat angles C4'-P-C4' energy: -127.387 flat angles P-C4'-P energy: -89.873 tors. eta vs tors. theta energy: -155.209 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: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1815.711468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.711468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.711468 (E_RNA) where: Base-Base interactions energy: -1244.590 where: short stacking energy: -510.595 Base-Backbone interact. energy: 0.124 local terms energy: -571.244972 where: bonds (distance) C4'-P energy: -109.161 bonds (distance) P-C4' energy: -113.733 flat angles C4'-P-C4' energy: -124.185 flat angles P-C4'-P energy: -93.943 tors. eta vs tors. theta energy: -130.222 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: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1629.929649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.929649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.929649 (E_RNA) where: Base-Base interactions energy: -1073.351 where: short stacking energy: -464.978 Base-Backbone interact. energy: -0.827 local terms energy: -555.751599 where: bonds (distance) C4'-P energy: -111.938 bonds (distance) P-C4' energy: -123.871 flat angles C4'-P-C4' energy: -125.748 flat angles P-C4'-P energy: -74.861 tors. eta vs tors. theta energy: -119.333 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: 7, replica: 9 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1510.651439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.651439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.651439 (E_RNA) where: Base-Base interactions energy: -988.113 where: short stacking energy: -439.954 Base-Backbone interact. energy: 2.670 local terms energy: -525.208584 where: bonds (distance) C4'-P energy: -111.231 bonds (distance) P-C4' energy: -114.176 flat angles C4'-P-C4' energy: -117.676 flat angles P-C4'-P energy: -68.062 tors. eta vs tors. theta energy: -114.064 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: 8, replica: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1096.002087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.002087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.002087 (E_RNA) where: Base-Base interactions energy: -665.347 where: short stacking energy: -317.245 Base-Backbone interact. energy: -1.571 local terms energy: -429.083755 where: bonds (distance) C4'-P energy: -103.810 bonds (distance) P-C4' energy: -114.385 flat angles C4'-P-C4' energy: -94.226 flat angles P-C4'-P energy: -51.091 tors. eta vs tors. theta energy: -65.572 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: 9, replica: 5 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -873.220600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.220600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.220600 (E_RNA) where: Base-Base interactions energy: -475.244 where: short stacking energy: -247.822 Base-Backbone interact. energy: -1.558 local terms energy: -396.418934 where: bonds (distance) C4'-P energy: -99.857 bonds (distance) P-C4' energy: -90.482 flat angles C4'-P-C4' energy: -104.723 flat angles P-C4'-P energy: -62.598 tors. eta vs tors. theta energy: -38.758 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: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -795.479582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.479582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.479582 (E_RNA) where: Base-Base interactions energy: -439.451 where: short stacking energy: -195.746 Base-Backbone interact. energy: 2.555 local terms energy: -358.582866 where: bonds (distance) C4'-P energy: -91.774 bonds (distance) P-C4' energy: -123.460 flat angles C4'-P-C4' energy: -74.529 flat angles P-C4'-P energy: -61.457 tors. eta vs tors. theta energy: -7.363 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: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2274.004882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.004882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.004882 (E_RNA) where: Base-Base interactions energy: -1572.989 where: short stacking energy: -653.847 Base-Backbone interact. energy: -3.105 local terms energy: -697.910616 where: bonds (distance) C4'-P energy: -125.034 bonds (distance) P-C4' energy: -121.319 flat angles C4'-P-C4' energy: -151.671 flat angles P-C4'-P energy: -107.897 tors. eta vs tors. theta energy: -191.990 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: 373 Temperature: 0.950000 Total energy: -2159.430460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.430460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.430460 (E_RNA) where: Base-Base interactions energy: -1497.245 where: short stacking energy: -603.384 Base-Backbone interact. energy: 1.850 local terms energy: -664.036359 where: bonds (distance) C4'-P energy: -107.993 bonds (distance) P-C4' energy: -135.207 flat angles C4'-P-C4' energy: -147.720 flat angles P-C4'-P energy: -96.276 tors. eta vs tors. theta energy: -176.841 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: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2068.968555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.968555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.968555 (E_RNA) where: Base-Base interactions energy: -1430.456 where: short stacking energy: -600.518 Base-Backbone interact. energy: 0.436 local terms energy: -638.948580 where: bonds (distance) C4'-P energy: -114.943 bonds (distance) P-C4' energy: -126.572 flat angles C4'-P-C4' energy: -138.546 flat angles P-C4'-P energy: -83.254 tors. eta vs tors. theta energy: -175.634 Dist. restrs. and SS energy: 0.000 (S_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: 373 Temperature: 1.050000 Total energy: -1991.019167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.019167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.019167 (E_RNA) where: Base-Base interactions energy: -1406.038 where: short stacking energy: -565.686 Base-Backbone interact. energy: 6.860 local terms energy: -591.840749 where: bonds (distance) C4'-P energy: -108.021 bonds (distance) P-C4' energy: -122.214 flat angles C4'-P-C4' energy: -122.631 flat angles P-C4'-P energy: -86.158 tors. eta vs tors. theta energy: -152.817 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: 5, replica: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1837.193717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.193717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.193717 (E_RNA) where: Base-Base interactions energy: -1242.042 where: short stacking energy: -532.106 Base-Backbone interact. energy: -0.478 local terms energy: -594.673317 where: bonds (distance) C4'-P energy: -106.074 bonds (distance) P-C4' energy: -117.424 flat angles C4'-P-C4' energy: -126.725 flat angles P-C4'-P energy: -89.447 tors. eta vs tors. theta energy: -155.003 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: 8 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1664.697324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.697324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.697324 (E_RNA) where: Base-Base interactions energy: -1127.049 where: short stacking energy: -495.820 Base-Backbone interact. energy: -0.636 local terms energy: -537.012266 where: bonds (distance) C4'-P energy: -92.169 bonds (distance) P-C4' energy: -112.800 flat angles C4'-P-C4' energy: -120.538 flat angles P-C4'-P energy: -71.485 tors. eta vs tors. theta energy: -140.021 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: 9 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1501.789292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.789292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.789292 (E_RNA) where: Base-Base interactions energy: -954.187 where: short stacking energy: -435.751 Base-Backbone interact. energy: -2.044 local terms energy: -545.558160 where: bonds (distance) C4'-P energy: -106.569 bonds (distance) P-C4' energy: -116.078 flat angles C4'-P-C4' energy: -121.552 flat angles P-C4'-P energy: -86.040 tors. eta vs tors. theta energy: -115.319 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: 8, replica: 2 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1125.654572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.654572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.654572 (E_RNA) where: Base-Base interactions energy: -679.814 where: short stacking energy: -331.741 Base-Backbone interact. energy: -1.908 local terms energy: -443.933123 where: bonds (distance) C4'-P energy: -93.905 bonds (distance) P-C4' energy: -119.908 flat angles C4'-P-C4' energy: -93.729 flat angles P-C4'-P energy: -71.338 tors. eta vs tors. theta energy: -65.053 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: 9, replica: 5 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -856.857947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.857947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.857947 (E_RNA) where: Base-Base interactions energy: -501.907 where: short stacking energy: -244.490 Base-Backbone interact. energy: -0.207 local terms energy: -354.743760 where: bonds (distance) C4'-P energy: -85.145 bonds (distance) P-C4' energy: -111.595 flat angles C4'-P-C4' energy: -93.834 flat angles P-C4'-P energy: -46.226 tors. eta vs tors. theta energy: -17.943 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: 10, replica: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -807.565282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.565282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.565282 (E_RNA) where: Base-Base interactions energy: -412.893 where: short stacking energy: -229.798 Base-Backbone interact. energy: -3.037 local terms energy: -391.635602 where: bonds (distance) C4'-P energy: -108.121 bonds (distance) P-C4' energy: -100.598 flat angles C4'-P-C4' energy: -95.300 flat angles P-C4'-P energy: -61.098 tors. eta vs tors. theta energy: -26.519 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: 374 Temperature: 0.900000 Total energy: -2243.151388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.151388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.151388 (E_RNA) where: Base-Base interactions energy: -1582.004 where: short stacking energy: -668.938 Base-Backbone interact. energy: -1.176 local terms energy: -659.971181 where: bonds (distance) C4'-P energy: -108.675 bonds (distance) P-C4' energy: -116.453 flat angles C4'-P-C4' energy: -151.739 flat angles P-C4'-P energy: -93.048 tors. eta vs tors. theta energy: -190.057 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: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2189.887814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.887814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.887814 (E_RNA) where: Base-Base interactions energy: -1556.672 where: short stacking energy: -605.251 Base-Backbone interact. energy: -3.179 local terms energy: -630.037079 where: bonds (distance) C4'-P energy: -105.160 bonds (distance) P-C4' energy: -113.952 flat angles C4'-P-C4' energy: -142.515 flat angles P-C4'-P energy: -100.681 tors. eta vs tors. theta energy: -167.729 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: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2045.314086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.314086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.314086 (E_RNA) where: Base-Base interactions energy: -1387.415 where: short stacking energy: -611.676 Base-Backbone interact. energy: -0.116 local terms energy: -657.783157 where: bonds (distance) C4'-P energy: -111.304 bonds (distance) P-C4' energy: -122.286 flat angles C4'-P-C4' energy: -154.541 flat angles P-C4'-P energy: -89.498 tors. eta vs tors. theta energy: -180.154 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: 4, replica: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1998.195387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.195387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.195387 (E_RNA) where: Base-Base interactions energy: -1395.415 where: short stacking energy: -567.237 Base-Backbone interact. energy: -3.519 local terms energy: -599.261244 where: bonds (distance) C4'-P energy: -118.445 bonds (distance) P-C4' energy: -110.789 flat angles C4'-P-C4' energy: -129.252 flat angles P-C4'-P energy: -77.926 tors. eta vs tors. theta energy: -162.848 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: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1841.367433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.367433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.367433 (E_RNA) where: Base-Base interactions energy: -1293.656 where: short stacking energy: -533.089 Base-Backbone interact. energy: -0.817 local terms energy: -546.894599 where: bonds (distance) C4'-P energy: -100.084 bonds (distance) P-C4' energy: -105.715 flat angles C4'-P-C4' energy: -127.466 flat angles P-C4'-P energy: -76.836 tors. eta vs tors. theta energy: -136.793 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: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1638.985143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.985143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.985143 (E_RNA) where: Base-Base interactions energy: -1083.727 where: short stacking energy: -468.486 Base-Backbone interact. energy: 0.381 local terms energy: -555.639425 where: bonds (distance) C4'-P energy: -112.491 bonds (distance) P-C4' energy: -113.419 flat angles C4'-P-C4' energy: -128.572 flat angles P-C4'-P energy: -73.390 tors. eta vs tors. theta energy: -127.767 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: 9 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1574.216022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.216022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.216022 (E_RNA) where: Base-Base interactions energy: -1018.470 where: short stacking energy: -460.573 Base-Backbone interact. energy: 1.362 local terms energy: -557.108520 where: bonds (distance) C4'-P energy: -114.086 bonds (distance) P-C4' energy: -107.346 flat angles C4'-P-C4' energy: -124.660 flat angles P-C4'-P energy: -82.536 tors. eta vs tors. theta energy: -128.481 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: 8, replica: 2 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1021.863330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.863330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.863330 (E_RNA) where: Base-Base interactions energy: -624.191 where: short stacking energy: -303.374 Base-Backbone interact. energy: -1.102 local terms energy: -396.570487 where: bonds (distance) C4'-P energy: -99.202 bonds (distance) P-C4' energy: -100.622 flat angles C4'-P-C4' energy: -97.951 flat angles P-C4'-P energy: -64.010 tors. eta vs tors. theta energy: -34.785 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: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -943.578098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.578098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.578098 (E_RNA) where: Base-Base interactions energy: -518.718 where: short stacking energy: -253.070 Base-Backbone interact. energy: -2.160 local terms energy: -422.699156 where: bonds (distance) C4'-P energy: -101.829 bonds (distance) P-C4' energy: -113.642 flat angles C4'-P-C4' energy: -109.766 flat angles P-C4'-P energy: -63.294 tors. eta vs tors. theta energy: -34.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -893.027856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.027856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.027856 (E_RNA) where: Base-Base interactions energy: -506.610 where: short stacking energy: -250.929 Base-Backbone interact. energy: -0.110 local terms energy: -386.308056 where: bonds (distance) C4'-P energy: -89.934 bonds (distance) P-C4' energy: -102.805 flat angles C4'-P-C4' energy: -102.965 flat angles P-C4'-P energy: -66.035 tors. eta vs tors. theta energy: -24.569 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: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2249.273942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.273942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.273942 (E_RNA) where: Base-Base interactions energy: -1566.834 where: short stacking energy: -661.862 Base-Backbone interact. energy: -2.947 local terms energy: -679.492280 where: bonds (distance) C4'-P energy: -112.883 bonds (distance) P-C4' energy: -121.030 flat angles C4'-P-C4' energy: -150.630 flat angles P-C4'-P energy: -95.488 tors. eta vs tors. theta energy: -199.461 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: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2185.168855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.168855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.168855 (E_RNA) where: Base-Base interactions energy: -1519.010 where: short stacking energy: -624.157 Base-Backbone interact. energy: -1.259 local terms energy: -664.899847 where: bonds (distance) C4'-P energy: -103.526 bonds (distance) P-C4' energy: -123.576 flat angles C4'-P-C4' energy: -151.115 flat angles P-C4'-P energy: -103.533 tors. eta vs tors. theta energy: -183.150 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: 3, replica: 7 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2067.469984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.469984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.469984 (E_RNA) where: Base-Base interactions energy: -1448.322 where: short stacking energy: -617.781 Base-Backbone interact. energy: -0.701 local terms energy: -618.446520 where: bonds (distance) C4'-P energy: -94.037 bonds (distance) P-C4' energy: -120.009 flat angles C4'-P-C4' energy: -138.084 flat angles P-C4'-P energy: -86.985 tors. eta vs tors. theta energy: -179.331 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: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1996.493632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.493632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.493632 (E_RNA) where: Base-Base interactions energy: -1363.121 where: short stacking energy: -567.290 Base-Backbone interact. energy: 0.659 local terms energy: -634.031619 where: bonds (distance) C4'-P energy: -113.995 bonds (distance) P-C4' energy: -127.610 flat angles C4'-P-C4' energy: -129.213 flat angles P-C4'-P energy: -97.571 tors. eta vs tors. theta energy: -165.643 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: 5, replica: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1878.307252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.307252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.307252 (E_RNA) where: Base-Base interactions energy: -1295.454 where: short stacking energy: -552.245 Base-Backbone interact. energy: -2.540 local terms energy: -580.312594 where: bonds (distance) C4'-P energy: -112.777 bonds (distance) P-C4' energy: -107.248 flat angles C4'-P-C4' energy: -121.418 flat angles P-C4'-P energy: -78.429 tors. eta vs tors. theta energy: -160.440 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: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1612.189129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.189129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.189129 (E_RNA) where: Base-Base interactions energy: -1082.040 where: short stacking energy: -464.996 Base-Backbone interact. energy: -2.192 local terms energy: -527.957364 where: bonds (distance) C4'-P energy: -104.890 bonds (distance) P-C4' energy: -102.676 flat angles C4'-P-C4' energy: -125.882 flat angles P-C4'-P energy: -74.295 tors. eta vs tors. theta energy: -120.214 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: 9 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1543.856956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.856956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.856956 (E_RNA) where: Base-Base interactions energy: -1035.782 where: short stacking energy: -451.921 Base-Backbone interact. energy: 1.225 local terms energy: -509.300630 where: bonds (distance) C4'-P energy: -108.844 bonds (distance) P-C4' energy: -113.887 flat angles C4'-P-C4' energy: -109.458 flat angles P-C4'-P energy: -67.011 tors. eta vs tors. theta energy: -110.101 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: 8, replica: 2 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1061.566111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.566111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.566111 (E_RNA) where: Base-Base interactions energy: -646.084 where: short stacking energy: -292.321 Base-Backbone interact. energy: -2.530 local terms energy: -412.952626 where: bonds (distance) C4'-P energy: -107.588 bonds (distance) P-C4' energy: -97.801 flat angles C4'-P-C4' energy: -114.196 flat angles P-C4'-P energy: -64.127 tors. eta vs tors. theta energy: -29.240 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: 9, replica: 3 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -913.605304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.605304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.605304 (E_RNA) where: Base-Base interactions energy: -525.276 where: short stacking energy: -289.674 Base-Backbone interact. energy: 0.020 local terms energy: -388.348753 where: bonds (distance) C4'-P energy: -75.576 bonds (distance) P-C4' energy: -110.808 flat angles C4'-P-C4' energy: -102.668 flat angles P-C4'-P energy: -59.488 tors. eta vs tors. theta energy: -39.808 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: 5 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -784.165329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.165329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.165329 (E_RNA) where: Base-Base interactions energy: -395.873 where: short stacking energy: -199.445 Base-Backbone interact. energy: 2.188 local terms energy: -390.480141 where: bonds (distance) C4'-P energy: -97.873 bonds (distance) P-C4' energy: -96.552 flat angles C4'-P-C4' energy: -107.807 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -21.242 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: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2243.677771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.677771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.677771 (E_RNA) where: Base-Base interactions energy: -1558.669 where: short stacking energy: -665.092 Base-Backbone interact. energy: -4.043 local terms energy: -680.965801 where: bonds (distance) C4'-P energy: -124.088 bonds (distance) P-C4' energy: -122.552 flat angles C4'-P-C4' energy: -141.752 flat angles P-C4'-P energy: -97.509 tors. eta vs tors. theta energy: -195.064 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: 2, replica: 1 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2216.345102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.345102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.345102 (E_RNA) where: Base-Base interactions energy: -1569.938 where: short stacking energy: -607.186 Base-Backbone interact. energy: -0.848 local terms energy: -645.559682 where: bonds (distance) C4'-P energy: -101.961 bonds (distance) P-C4' energy: -132.218 flat angles C4'-P-C4' energy: -143.959 flat angles P-C4'-P energy: -95.825 tors. eta vs tors. theta energy: -171.596 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: 7 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2104.919808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.919808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.919808 (E_RNA) where: Base-Base interactions energy: -1446.191 where: short stacking energy: -602.553 Base-Backbone interact. energy: -1.862 local terms energy: -656.866930 where: bonds (distance) C4'-P energy: -114.853 bonds (distance) P-C4' energy: -120.759 flat angles C4'-P-C4' energy: -141.016 flat angles P-C4'-P energy: -83.823 tors. eta vs tors. theta energy: -196.415 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: 4, replica: 4 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1992.350465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.350465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.350465 (E_RNA) where: Base-Base interactions energy: -1391.644 where: short stacking energy: -566.908 Base-Backbone interact. energy: 0.078 local terms energy: -600.785063 where: bonds (distance) C4'-P energy: -111.439 bonds (distance) P-C4' energy: -112.590 flat angles C4'-P-C4' energy: -124.127 flat angles P-C4'-P energy: -83.779 tors. eta vs tors. theta energy: -168.849 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: 5, replica: 6 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1868.659052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.659052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.659052 (E_RNA) where: Base-Base interactions energy: -1268.287 where: short stacking energy: -529.552 Base-Backbone interact. energy: -3.140 local terms energy: -597.231392 where: bonds (distance) C4'-P energy: -123.203 bonds (distance) P-C4' energy: -118.165 flat angles C4'-P-C4' energy: -123.205 flat angles P-C4'-P energy: -93.731 tors. eta vs tors. theta energy: -138.927 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: 6, replica: 8 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1595.595380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.595380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.595380 (E_RNA) where: Base-Base interactions energy: -1027.675 where: short stacking energy: -463.447 Base-Backbone interact. energy: -2.773 local terms energy: -565.147454 where: bonds (distance) C4'-P energy: -111.294 bonds (distance) P-C4' energy: -102.236 flat angles C4'-P-C4' energy: -127.760 flat angles P-C4'-P energy: -85.339 tors. eta vs tors. theta energy: -138.519 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: 7, replica: 9 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1520.098829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.098829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.098829 (E_RNA) where: Base-Base interactions energy: -1029.349 where: short stacking energy: -451.962 Base-Backbone interact. energy: 2.113 local terms energy: -492.862279 where: bonds (distance) C4'-P energy: -107.010 bonds (distance) P-C4' energy: -86.738 flat angles C4'-P-C4' energy: -116.879 flat angles P-C4'-P energy: -72.324 tors. eta vs tors. theta energy: -109.912 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: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1055.603016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.603016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.603016 (E_RNA) where: Base-Base interactions energy: -642.451 where: short stacking energy: -306.081 Base-Backbone interact. energy: 1.569 local terms energy: -414.721320 where: bonds (distance) C4'-P energy: -102.431 bonds (distance) P-C4' energy: -118.812 flat angles C4'-P-C4' energy: -99.611 flat angles P-C4'-P energy: -48.888 tors. eta vs tors. theta energy: -44.979 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: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -944.714948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.714948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.714948 (E_RNA) where: Base-Base interactions energy: -555.452 where: short stacking energy: -285.242 Base-Backbone interact. energy: -0.779 local terms energy: -388.483559 where: bonds (distance) C4'-P energy: -92.114 bonds (distance) P-C4' energy: -123.980 flat angles C4'-P-C4' energy: -100.944 flat angles P-C4'-P energy: -45.969 tors. eta vs tors. theta energy: -25.477 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: 10, replica: 5 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -777.843088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.843088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.843088 (E_RNA) where: Base-Base interactions energy: -420.917 where: short stacking energy: -212.943 Base-Backbone interact. energy: -3.808 local terms energy: -353.117901 where: bonds (distance) C4'-P energy: -105.624 bonds (distance) P-C4' energy: -111.825 flat angles C4'-P-C4' energy: -94.566 flat angles P-C4'-P energy: -39.723 tors. eta vs tors. theta energy: -1.380 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: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2264.778655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.778655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.778655 (E_RNA) where: Base-Base interactions energy: -1577.112 where: short stacking energy: -657.213 Base-Backbone interact. energy: -0.089 local terms energy: -687.577314 where: bonds (distance) C4'-P energy: -118.946 bonds (distance) P-C4' energy: -130.126 flat angles C4'-P-C4' energy: -142.596 flat angles P-C4'-P energy: -106.305 tors. eta vs tors. theta energy: -189.605 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: 2, replica: 1 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2202.432289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.432289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.432289 (E_RNA) where: Base-Base interactions energy: -1542.910 where: short stacking energy: -637.059 Base-Backbone interact. energy: -1.932 local terms energy: -657.590177 where: bonds (distance) C4'-P energy: -108.014 bonds (distance) P-C4' energy: -128.010 flat angles C4'-P-C4' energy: -146.699 flat angles P-C4'-P energy: -96.241 tors. eta vs tors. theta energy: -178.627 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: 3, replica: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2083.290432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.290432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.290432 (E_RNA) where: Base-Base interactions energy: -1418.179 where: short stacking energy: -616.754 Base-Backbone interact. energy: -4.782 local terms energy: -660.329790 where: bonds (distance) C4'-P energy: -112.021 bonds (distance) P-C4' energy: -115.427 flat angles C4'-P-C4' energy: -134.813 flat angles P-C4'-P energy: -100.552 tors. eta vs tors. theta energy: -197.516 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: 4 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1968.056365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.056365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.056365 (E_RNA) where: Base-Base interactions energy: -1377.499 where: short stacking energy: -556.098 Base-Backbone interact. energy: 2.583 local terms energy: -593.140407 where: bonds (distance) C4'-P energy: -119.902 bonds (distance) P-C4' energy: -86.989 flat angles C4'-P-C4' energy: -131.579 flat angles P-C4'-P energy: -96.952 tors. eta vs tors. theta energy: -157.718 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: 6 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1898.622165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.622165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.622165 (E_RNA) where: Base-Base interactions energy: -1313.247 where: short stacking energy: -549.922 Base-Backbone interact. energy: 0.177 local terms energy: -585.552482 where: bonds (distance) C4'-P energy: -107.234 bonds (distance) P-C4' energy: -114.477 flat angles C4'-P-C4' energy: -124.816 flat angles P-C4'-P energy: -79.936 tors. eta vs tors. theta energy: -159.090 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: 6, replica: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1628.427224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.427224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.427224 (E_RNA) where: Base-Base interactions energy: -1097.433 where: short stacking energy: -467.888 Base-Backbone interact. energy: 0.261 local terms energy: -531.255710 where: bonds (distance) C4'-P energy: -110.838 bonds (distance) P-C4' energy: -115.040 flat angles C4'-P-C4' energy: -113.732 flat angles P-C4'-P energy: -81.254 tors. eta vs tors. theta energy: -110.391 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: 7, replica: 9 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1498.861701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.861701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.861701 (E_RNA) where: Base-Base interactions energy: -1002.392 where: short stacking energy: -443.542 Base-Backbone interact. energy: -1.295 local terms energy: -495.175226 where: bonds (distance) C4'-P energy: -93.009 bonds (distance) P-C4' energy: -102.487 flat angles C4'-P-C4' energy: -117.603 flat angles P-C4'-P energy: -75.586 tors. eta vs tors. theta energy: -106.491 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: 2 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1037.804740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.804740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.804740 (E_RNA) where: Base-Base interactions energy: -600.536 where: short stacking energy: -282.251 Base-Backbone interact. energy: 1.365 local terms energy: -438.633230 where: bonds (distance) C4'-P energy: -111.094 bonds (distance) P-C4' energy: -117.799 flat angles C4'-P-C4' energy: -98.286 flat angles P-C4'-P energy: -64.759 tors. eta vs tors. theta energy: -46.694 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: 9, replica: 3 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -943.976445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.976445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.976445 (E_RNA) where: Base-Base interactions energy: -538.600 where: short stacking energy: -265.516 Base-Backbone interact. energy: 2.231 local terms energy: -407.607546 where: bonds (distance) C4'-P energy: -113.275 bonds (distance) P-C4' energy: -89.541 flat angles C4'-P-C4' energy: -111.807 flat angles P-C4'-P energy: -61.285 tors. eta vs tors. theta energy: -31.700 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: 5 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -842.538219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.538219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.538219 (E_RNA) where: Base-Base interactions energy: -462.929 where: short stacking energy: -230.841 Base-Backbone interact. energy: -4.710 local terms energy: -374.899685 where: bonds (distance) C4'-P energy: -114.719 bonds (distance) P-C4' energy: -127.127 flat angles C4'-P-C4' energy: -75.886 flat angles P-C4'-P energy: -35.472 tors. eta vs tors. theta energy: -21.696 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: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2281.910117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.910117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.910117 (E_RNA) where: Base-Base interactions energy: -1575.284 where: short stacking energy: -656.899 Base-Backbone interact. energy: -5.212 local terms energy: -701.413993 where: bonds (distance) C4'-P energy: -126.845 bonds (distance) P-C4' energy: -131.143 flat angles C4'-P-C4' energy: -146.636 flat angles P-C4'-P energy: -102.775 tors. eta vs tors. theta energy: -194.015 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: 2, replica: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2206.229533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.229533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.229533 (E_RNA) where: Base-Base interactions energy: -1576.082 where: short stacking energy: -619.121 Base-Backbone interact. energy: -7.438 local terms energy: -622.709934 where: bonds (distance) C4'-P energy: -108.588 bonds (distance) P-C4' energy: -113.376 flat angles C4'-P-C4' energy: -147.704 flat angles P-C4'-P energy: -86.785 tors. eta vs tors. theta energy: -166.257 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: 3, replica: 7 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2075.163838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.163838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.163838 (E_RNA) where: Base-Base interactions energy: -1436.070 where: short stacking energy: -608.257 Base-Backbone interact. energy: -5.415 local terms energy: -633.679084 where: bonds (distance) C4'-P energy: -104.656 bonds (distance) P-C4' energy: -118.429 flat angles C4'-P-C4' energy: -131.030 flat angles P-C4'-P energy: -96.339 tors. eta vs tors. theta energy: -183.225 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: 4, replica: 4 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1947.970197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.970197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.970197 (E_RNA) where: Base-Base interactions energy: -1366.047 where: short stacking energy: -552.163 Base-Backbone interact. energy: 1.796 local terms energy: -583.719553 where: bonds (distance) C4'-P energy: -126.882 bonds (distance) P-C4' energy: -103.385 flat angles C4'-P-C4' energy: -123.359 flat angles P-C4'-P energy: -77.750 tors. eta vs tors. theta energy: -152.343 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: 5, replica: 6 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1883.213660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.213660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.213660 (E_RNA) where: Base-Base interactions energy: -1299.643 where: short stacking energy: -553.127 Base-Backbone interact. energy: -2.543 local terms energy: -581.027661 where: bonds (distance) C4'-P energy: -120.502 bonds (distance) P-C4' energy: -106.891 flat angles C4'-P-C4' energy: -122.643 flat angles P-C4'-P energy: -79.836 tors. eta vs tors. theta energy: -151.157 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: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1636.877138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.877138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.877138 (E_RNA) where: Base-Base interactions energy: -1084.129 where: short stacking energy: -472.908 Base-Backbone interact. energy: 0.955 local terms energy: -553.702579 where: bonds (distance) C4'-P energy: -113.606 bonds (distance) P-C4' energy: -93.483 flat angles C4'-P-C4' energy: -130.459 flat angles P-C4'-P energy: -86.136 tors. eta vs tors. theta energy: -130.019 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: 7, replica: 9 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1529.885379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.885379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.885379 (E_RNA) where: Base-Base interactions energy: -1013.789 where: short stacking energy: -453.250 Base-Backbone interact. energy: -1.504 local terms energy: -514.592261 where: bonds (distance) C4'-P energy: -101.047 bonds (distance) P-C4' energy: -104.469 flat angles C4'-P-C4' energy: -114.359 flat angles P-C4'-P energy: -82.289 tors. eta vs tors. theta energy: -112.428 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: 8, replica: 2 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -975.408034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.408034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.408034 (E_RNA) where: Base-Base interactions energy: -551.676 where: short stacking energy: -270.928 Base-Backbone interact. energy: -1.711 local terms energy: -422.021495 where: bonds (distance) C4'-P energy: -93.390 bonds (distance) P-C4' energy: -102.539 flat angles C4'-P-C4' energy: -120.959 flat angles P-C4'-P energy: -67.881 tors. eta vs tors. theta energy: -37.253 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: 9, replica: 3 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -934.935932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.935932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.935932 (E_RNA) where: Base-Base interactions energy: -567.211 where: short stacking energy: -257.792 Base-Backbone interact. energy: 1.592 local terms energy: -369.316144 where: bonds (distance) C4'-P energy: -96.110 bonds (distance) P-C4' energy: -87.535 flat angles C4'-P-C4' energy: -97.920 flat angles P-C4'-P energy: -47.657 tors. eta vs tors. theta energy: -40.093 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: 10, replica: 5 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -778.688149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.688149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.688149 (E_RNA) where: Base-Base interactions energy: -448.137 where: short stacking energy: -221.630 Base-Backbone interact. energy: 1.520 local terms energy: -332.070600 where: bonds (distance) C4'-P energy: -104.738 bonds (distance) P-C4' energy: -103.275 flat angles C4'-P-C4' energy: -92.412 flat angles P-C4'-P energy: -36.891 tors. eta vs tors. theta energy: 5.245 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: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2266.695205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.695205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.695205 (E_RNA) where: Base-Base interactions energy: -1566.516 where: short stacking energy: -638.031 Base-Backbone interact. energy: -5.610 local terms energy: -694.569490 where: bonds (distance) C4'-P energy: -136.063 bonds (distance) P-C4' energy: -129.121 flat angles C4'-P-C4' energy: -144.422 flat angles P-C4'-P energy: -98.843 tors. eta vs tors. theta energy: -186.121 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: 2, replica: 1 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2218.789469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.789469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.789469 (E_RNA) where: Base-Base interactions energy: -1551.759 where: short stacking energy: -606.290 Base-Backbone interact. energy: -2.040 local terms energy: -664.990002 where: bonds (distance) C4'-P energy: -126.027 bonds (distance) P-C4' energy: -126.764 flat angles C4'-P-C4' energy: -138.357 flat angles P-C4'-P energy: -98.533 tors. eta vs tors. theta energy: -175.309 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: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2086.671363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.671363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.671363 (E_RNA) where: Base-Base interactions energy: -1442.081 where: short stacking energy: -589.526 Base-Backbone interact. energy: -2.012 local terms energy: -642.578753 where: bonds (distance) C4'-P energy: -117.020 bonds (distance) P-C4' energy: -107.498 flat angles C4'-P-C4' energy: -141.182 flat angles P-C4'-P energy: -90.811 tors. eta vs tors. theta energy: -186.067 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: 4 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1994.510002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.510002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.510002 (E_RNA) where: Base-Base interactions energy: -1392.658 where: short stacking energy: -544.631 Base-Backbone interact. energy: -0.496 local terms energy: -601.356020 where: bonds (distance) C4'-P energy: -108.447 bonds (distance) P-C4' energy: -125.940 flat angles C4'-P-C4' energy: -123.762 flat angles P-C4'-P energy: -82.539 tors. eta vs tors. theta energy: -160.668 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: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1849.748917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.748917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.748917 (E_RNA) where: Base-Base interactions energy: -1268.427 where: short stacking energy: -552.041 Base-Backbone interact. energy: -6.361 local terms energy: -574.960922 where: bonds (distance) C4'-P energy: -117.812 bonds (distance) P-C4' energy: -115.046 flat angles C4'-P-C4' energy: -107.467 flat angles P-C4'-P energy: -79.045 tors. eta vs tors. theta energy: -155.592 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: 6, replica: 8 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1628.102752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.102752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.102752 (E_RNA) where: Base-Base interactions energy: -1110.982 where: short stacking energy: -474.387 Base-Backbone interact. energy: 2.159 local terms energy: -519.280150 where: bonds (distance) C4'-P energy: -90.901 bonds (distance) P-C4' energy: -108.878 flat angles C4'-P-C4' energy: -122.133 flat angles P-C4'-P energy: -70.442 tors. eta vs tors. theta energy: -126.926 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: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1523.989616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.989616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.989616 (E_RNA) where: Base-Base interactions energy: -1010.204 where: short stacking energy: -431.306 Base-Backbone interact. energy: 1.890 local terms energy: -515.675211 where: bonds (distance) C4'-P energy: -81.878 bonds (distance) P-C4' energy: -110.403 flat angles C4'-P-C4' energy: -126.489 flat angles P-C4'-P energy: -77.122 tors. eta vs tors. theta energy: -119.783 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: 2 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -982.050567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.050567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.050567 (E_RNA) where: Base-Base interactions energy: -572.908 where: short stacking energy: -272.602 Base-Backbone interact. energy: -0.790 local terms energy: -408.352281 where: bonds (distance) C4'-P energy: -102.257 bonds (distance) P-C4' energy: -110.316 flat angles C4'-P-C4' energy: -105.740 flat angles P-C4'-P energy: -58.645 tors. eta vs tors. theta energy: -31.395 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: 9, replica: 3 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -905.472728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.472728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.472728 (E_RNA) where: Base-Base interactions energy: -506.900 where: short stacking energy: -248.500 Base-Backbone interact. energy: 5.930 local terms energy: -404.502985 where: bonds (distance) C4'-P energy: -105.726 bonds (distance) P-C4' energy: -111.624 flat angles C4'-P-C4' energy: -103.638 flat angles P-C4'-P energy: -57.474 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: 10, replica: 5 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -857.308109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.308109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.308109 (E_RNA) where: Base-Base interactions energy: -489.615 where: short stacking energy: -238.606 Base-Backbone interact. energy: -1.359 local terms energy: -366.334123 where: bonds (distance) C4'-P energy: -99.752 bonds (distance) P-C4' energy: -104.690 flat angles C4'-P-C4' energy: -83.762 flat angles P-C4'-P energy: -55.290 tors. eta vs tors. theta energy: -22.841 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: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2265.800442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.800442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.800442 (E_RNA) where: Base-Base interactions energy: -1589.742 where: short stacking energy: -682.992 Base-Backbone interact. energy: -3.374 local terms energy: -672.684847 where: bonds (distance) C4'-P energy: -115.428 bonds (distance) P-C4' energy: -116.876 flat angles C4'-P-C4' energy: -151.364 flat angles P-C4'-P energy: -98.770 tors. eta vs tors. theta energy: -190.248 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: 2, replica: 1 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2202.799563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.799563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.799563 (E_RNA) where: Base-Base interactions energy: -1551.272 where: short stacking energy: -615.971 Base-Backbone interact. energy: -2.555 local terms energy: -648.973067 where: bonds (distance) C4'-P energy: -118.236 bonds (distance) P-C4' energy: -118.041 flat angles C4'-P-C4' energy: -141.524 flat angles P-C4'-P energy: -90.280 tors. eta vs tors. theta energy: -180.892 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: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2089.994055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.994055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.994055 (E_RNA) where: Base-Base interactions energy: -1440.631 where: short stacking energy: -614.712 Base-Backbone interact. energy: -2.224 local terms energy: -647.139291 where: bonds (distance) C4'-P energy: -108.921 bonds (distance) P-C4' energy: -127.947 flat angles C4'-P-C4' energy: -136.931 flat angles P-C4'-P energy: -86.409 tors. eta vs tors. theta energy: -186.932 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: 4, replica: 4 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1973.187260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.187260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.187260 (E_RNA) where: Base-Base interactions energy: -1382.829 where: short stacking energy: -552.869 Base-Backbone interact. energy: -1.192 local terms energy: -589.165716 where: bonds (distance) C4'-P energy: -102.527 bonds (distance) P-C4' energy: -115.888 flat angles C4'-P-C4' energy: -124.216 flat angles P-C4'-P energy: -84.346 tors. eta vs tors. theta energy: -162.189 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: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1873.811993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.811993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.811993 (E_RNA) where: Base-Base interactions energy: -1280.000 where: short stacking energy: -526.413 Base-Backbone interact. energy: 2.174 local terms energy: -595.986095 where: bonds (distance) C4'-P energy: -112.818 bonds (distance) P-C4' energy: -105.499 flat angles C4'-P-C4' energy: -128.225 flat angles P-C4'-P energy: -95.189 tors. eta vs tors. theta energy: -154.256 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: 8 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1635.036896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.036896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.036896 (E_RNA) where: Base-Base interactions energy: -1097.476 where: short stacking energy: -454.473 Base-Backbone interact. energy: 2.919 local terms energy: -540.479273 where: bonds (distance) C4'-P energy: -101.541 bonds (distance) P-C4' energy: -118.930 flat angles C4'-P-C4' energy: -117.931 flat angles P-C4'-P energy: -76.559 tors. eta vs tors. theta energy: -125.519 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: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1564.315837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.315837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.315837 (E_RNA) where: Base-Base interactions energy: -1048.736 where: short stacking energy: -469.248 Base-Backbone interact. energy: 1.023 local terms energy: -516.602194 where: bonds (distance) C4'-P energy: -100.665 bonds (distance) P-C4' energy: -100.721 flat angles C4'-P-C4' energy: -111.506 flat angles P-C4'-P energy: -77.492 tors. eta vs tors. theta energy: -126.217 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: 2 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1017.970198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.970198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.970198 (E_RNA) where: Base-Base interactions energy: -634.678 where: short stacking energy: -305.114 Base-Backbone interact. energy: 1.513 local terms energy: -384.805281 where: bonds (distance) C4'-P energy: -107.071 bonds (distance) P-C4' energy: -92.037 flat angles C4'-P-C4' energy: -89.159 flat angles P-C4'-P energy: -47.113 tors. eta vs tors. theta energy: -49.426 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: 9, replica: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -906.371240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.371240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.371240 (E_RNA) where: Base-Base interactions energy: -527.705 where: short stacking energy: -269.223 Base-Backbone interact. energy: -0.131 local terms energy: -378.534889 where: bonds (distance) C4'-P energy: -96.661 bonds (distance) P-C4' energy: -91.421 flat angles C4'-P-C4' energy: -115.006 flat angles P-C4'-P energy: -45.439 tors. eta vs tors. theta energy: -30.008 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: 10, replica: 5 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -783.958471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.958471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.958471 (E_RNA) where: Base-Base interactions energy: -423.946 where: short stacking energy: -210.666 Base-Backbone interact. energy: 3.988 local terms energy: -364.000174 where: bonds (distance) C4'-P energy: -104.031 bonds (distance) P-C4' energy: -112.198 flat angles C4'-P-C4' energy: -87.638 flat angles P-C4'-P energy: -43.831 tors. eta vs tors. theta energy: -16.303 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: 1, replica: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2258.370346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.370346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.370346 (E_RNA) where: Base-Base interactions energy: -1587.128 where: short stacking energy: -664.572 Base-Backbone interact. energy: -2.853 local terms energy: -668.389227 where: bonds (distance) C4'-P energy: -135.476 bonds (distance) P-C4' energy: -117.053 flat angles C4'-P-C4' energy: -142.829 flat angles P-C4'-P energy: -90.450 tors. eta vs tors. theta energy: -182.581 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: 2, replica: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2224.495838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.495838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.495838 (E_RNA) where: Base-Base interactions energy: -1575.664 where: short stacking energy: -618.522 Base-Backbone interact. energy: -3.110 local terms energy: -645.721241 where: bonds (distance) C4'-P energy: -130.303 bonds (distance) P-C4' energy: -104.966 flat angles C4'-P-C4' energy: -128.350 flat angles P-C4'-P energy: -101.809 tors. eta vs tors. theta energy: -180.292 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: 3, replica: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2068.539252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.539252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.539252 (E_RNA) where: Base-Base interactions energy: -1449.475 where: short stacking energy: -611.495 Base-Backbone interact. energy: -4.178 local terms energy: -614.886041 where: bonds (distance) C4'-P energy: -104.251 bonds (distance) P-C4' energy: -108.834 flat angles C4'-P-C4' energy: -135.820 flat angles P-C4'-P energy: -82.327 tors. eta vs tors. theta energy: -183.653 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: 4 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1939.857499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.857499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.857499 (E_RNA) where: Base-Base interactions energy: -1342.150 where: short stacking energy: -548.539 Base-Backbone interact. energy: -2.660 local terms energy: -595.047232 where: bonds (distance) C4'-P energy: -95.101 bonds (distance) P-C4' energy: -113.814 flat angles C4'-P-C4' energy: -141.042 flat angles P-C4'-P energy: -89.439 tors. eta vs tors. theta energy: -155.651 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: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1903.862936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.862936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.862936 (E_RNA) where: Base-Base interactions energy: -1312.682 where: short stacking energy: -556.103 Base-Backbone interact. energy: -1.281 local terms energy: -589.899561 where: bonds (distance) C4'-P energy: -99.915 bonds (distance) P-C4' energy: -119.126 flat angles C4'-P-C4' energy: -129.593 flat angles P-C4'-P energy: -72.647 tors. eta vs tors. theta energy: -168.619 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: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1633.919554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.919554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.919554 (E_RNA) where: Base-Base interactions energy: -1051.186 where: short stacking energy: -455.013 Base-Backbone interact. energy: -2.851 local terms energy: -579.882485 where: bonds (distance) C4'-P energy: -115.567 bonds (distance) P-C4' energy: -105.644 flat angles C4'-P-C4' energy: -140.239 flat angles P-C4'-P energy: -88.451 tors. eta vs tors. theta energy: -129.981 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: 7, replica: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1581.310695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.310695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.310695 (E_RNA) where: Base-Base interactions energy: -1054.436 where: short stacking energy: -444.360 Base-Backbone interact. energy: -0.693 local terms energy: -526.182095 where: bonds (distance) C4'-P energy: -86.587 bonds (distance) P-C4' energy: -109.631 flat angles C4'-P-C4' energy: -121.262 flat angles P-C4'-P energy: -84.237 tors. eta vs tors. theta energy: -124.466 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: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -995.152839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.152839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.152839 (E_RNA) where: Base-Base interactions energy: -586.461 where: short stacking energy: -292.512 Base-Backbone interact. energy: -0.810 local terms energy: -407.881636 where: bonds (distance) C4'-P energy: -96.344 bonds (distance) P-C4' energy: -104.562 flat angles C4'-P-C4' energy: -91.811 flat angles P-C4'-P energy: -74.674 tors. eta vs tors. theta energy: -40.492 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: 3 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -960.043740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.043740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.043740 (E_RNA) where: Base-Base interactions energy: -569.189 where: short stacking energy: -261.348 Base-Backbone interact. energy: 2.119 local terms energy: -392.973458 where: bonds (distance) C4'-P energy: -100.983 bonds (distance) P-C4' energy: -114.284 flat angles C4'-P-C4' energy: -84.682 flat angles P-C4'-P energy: -61.135 tors. eta vs tors. theta energy: -31.889 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: 10, replica: 5 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -832.734291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.734291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.734291 (E_RNA) where: Base-Base interactions energy: -459.497 where: short stacking energy: -235.027 Base-Backbone interact. energy: -1.649 local terms energy: -371.588023 where: bonds (distance) C4'-P energy: -92.044 bonds (distance) P-C4' energy: -107.784 flat angles C4'-P-C4' energy: -109.615 flat angles P-C4'-P energy: -42.034 tors. eta vs tors. theta energy: -20.110 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: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2263.056288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.056288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.056288 (E_RNA) where: Base-Base interactions energy: -1594.523 where: short stacking energy: -623.490 Base-Backbone interact. energy: -1.556 local terms energy: -666.976900 where: bonds (distance) C4'-P energy: -130.377 bonds (distance) P-C4' energy: -127.767 flat angles C4'-P-C4' energy: -143.034 flat angles P-C4'-P energy: -88.762 tors. eta vs tors. theta energy: -177.036 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: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2172.330594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.330594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.330594 (E_RNA) where: Base-Base interactions energy: -1528.396 where: short stacking energy: -633.342 Base-Backbone interact. energy: -3.132 local terms energy: -640.801991 where: bonds (distance) C4'-P energy: -113.369 bonds (distance) P-C4' energy: -118.598 flat angles C4'-P-C4' energy: -130.933 flat angles P-C4'-P energy: -97.317 tors. eta vs tors. theta energy: -180.585 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: 3, replica: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2070.437020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.437020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.437020 (E_RNA) where: Base-Base interactions energy: -1444.333 where: short stacking energy: -602.570 Base-Backbone interact. energy: -2.563 local terms energy: -623.540782 where: bonds (distance) C4'-P energy: -104.052 bonds (distance) P-C4' energy: -112.993 flat angles C4'-P-C4' energy: -133.920 flat angles P-C4'-P energy: -95.292 tors. eta vs tors. theta energy: -177.284 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: 4, replica: 4 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2008.981664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.981664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.981664 (E_RNA) where: Base-Base interactions energy: -1410.359 where: short stacking energy: -573.974 Base-Backbone interact. energy: -1.831 local terms energy: -596.792063 where: bonds (distance) C4'-P energy: -94.437 bonds (distance) P-C4' energy: -113.981 flat angles C4'-P-C4' energy: -131.527 flat angles P-C4'-P energy: -91.617 tors. eta vs tors. theta energy: -165.230 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: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1895.395057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.395057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.395057 (E_RNA) where: Base-Base interactions energy: -1303.357 where: short stacking energy: -546.230 Base-Backbone interact. energy: -4.312 local terms energy: -587.726044 where: bonds (distance) C4'-P energy: -107.484 bonds (distance) P-C4' energy: -116.929 flat angles C4'-P-C4' energy: -122.659 flat angles P-C4'-P energy: -84.896 tors. eta vs tors. theta energy: -155.758 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: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1610.367427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.367427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.367427 (E_RNA) where: Base-Base interactions energy: -1116.251 where: short stacking energy: -479.436 Base-Backbone interact. energy: 4.384 local terms energy: -498.500000 where: bonds (distance) C4'-P energy: -115.245 bonds (distance) P-C4' energy: -104.973 flat angles C4'-P-C4' energy: -117.959 flat angles P-C4'-P energy: -51.063 tors. eta vs tors. theta energy: -109.261 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: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1544.533773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.533773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.533773 (E_RNA) where: Base-Base interactions energy: -1042.361 where: short stacking energy: -459.745 Base-Backbone interact. energy: -1.744 local terms energy: -500.428459 where: bonds (distance) C4'-P energy: -105.923 bonds (distance) P-C4' energy: -86.306 flat angles C4'-P-C4' energy: -121.657 flat angles P-C4'-P energy: -75.956 tors. eta vs tors. theta energy: -110.587 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: 2 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -988.052103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.052103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.052103 (E_RNA) where: Base-Base interactions energy: -588.036 where: short stacking energy: -278.816 Base-Backbone interact. energy: 0.854 local terms energy: -400.869577 where: bonds (distance) C4'-P energy: -106.255 bonds (distance) P-C4' energy: -95.995 flat angles C4'-P-C4' energy: -102.028 flat angles P-C4'-P energy: -65.803 tors. eta vs tors. theta energy: -30.789 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: 3 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -922.357447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.357447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.357447 (E_RNA) where: Base-Base interactions energy: -548.758 where: short stacking energy: -270.862 Base-Backbone interact. energy: 8.622 local terms energy: -382.221374 where: bonds (distance) C4'-P energy: -89.642 bonds (distance) P-C4' energy: -115.697 flat angles C4'-P-C4' energy: -79.650 flat angles P-C4'-P energy: -61.416 tors. eta vs tors. theta energy: -35.817 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: 5 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -809.000723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.000723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.000723 (E_RNA) where: Base-Base interactions energy: -443.044 where: short stacking energy: -206.944 Base-Backbone interact. energy: 2.335 local terms energy: -368.291894 where: bonds (distance) C4'-P energy: -103.638 bonds (distance) P-C4' energy: -105.441 flat angles C4'-P-C4' energy: -99.264 flat angles P-C4'-P energy: -44.400 tors. eta vs tors. theta energy: -15.550 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: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2264.732895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.732895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.732895 (E_RNA) where: Base-Base interactions energy: -1598.656 where: short stacking energy: -636.069 Base-Backbone interact. energy: -2.195 local terms energy: -663.881265 where: bonds (distance) C4'-P energy: -126.074 bonds (distance) P-C4' energy: -122.474 flat angles C4'-P-C4' energy: -146.131 flat angles P-C4'-P energy: -98.600 tors. eta vs tors. theta energy: -170.602 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: 2, replica: 10 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2233.807635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.807635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.807635 (E_RNA) where: Base-Base interactions energy: -1572.456 where: short stacking energy: -634.940 Base-Backbone interact. energy: -2.851 local terms energy: -658.500056 where: bonds (distance) C4'-P energy: -109.948 bonds (distance) P-C4' energy: -119.996 flat angles C4'-P-C4' energy: -134.244 flat angles P-C4'-P energy: -101.597 tors. eta vs tors. theta energy: -192.716 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: 7 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2083.695769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.695769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.695769 (E_RNA) where: Base-Base interactions energy: -1439.749 where: short stacking energy: -585.214 Base-Backbone interact. energy: 0.075 local terms energy: -644.021549 where: bonds (distance) C4'-P energy: -110.922 bonds (distance) P-C4' energy: -127.127 flat angles C4'-P-C4' energy: -131.101 flat angles P-C4'-P energy: -93.276 tors. eta vs tors. theta energy: -181.596 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: 4, replica: 4 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2011.305103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.305103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.305103 (E_RNA) where: Base-Base interactions energy: -1400.736 where: short stacking energy: -583.736 Base-Backbone interact. energy: 0.836 local terms energy: -611.405025 where: bonds (distance) C4'-P energy: -109.481 bonds (distance) P-C4' energy: -123.045 flat angles C4'-P-C4' energy: -125.257 flat angles P-C4'-P energy: -85.664 tors. eta vs tors. theta energy: -167.958 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: 5, replica: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1848.675354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.675354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.675354 (E_RNA) where: Base-Base interactions energy: -1238.968 where: short stacking energy: -509.347 Base-Backbone interact. energy: -2.041 local terms energy: -607.666330 where: bonds (distance) C4'-P energy: -114.606 bonds (distance) P-C4' energy: -124.195 flat angles C4'-P-C4' energy: -132.567 flat angles P-C4'-P energy: -81.730 tors. eta vs tors. theta energy: -154.568 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: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1621.280812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.280812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.280812 (E_RNA) where: Base-Base interactions energy: -1081.301 where: short stacking energy: -483.414 Base-Backbone interact. energy: -3.043 local terms energy: -536.936515 where: bonds (distance) C4'-P energy: -81.669 bonds (distance) P-C4' energy: -110.762 flat angles C4'-P-C4' energy: -129.633 flat angles P-C4'-P energy: -76.298 tors. eta vs tors. theta energy: -138.575 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: 7, replica: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1582.934253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.934253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.934253 (E_RNA) where: Base-Base interactions energy: -1067.004 where: short stacking energy: -469.047 Base-Backbone interact. energy: -0.328 local terms energy: -515.603192 where: bonds (distance) C4'-P energy: -87.143 bonds (distance) P-C4' energy: -108.053 flat angles C4'-P-C4' energy: -108.052 flat angles P-C4'-P energy: -76.137 tors. eta vs tors. theta energy: -136.218 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: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -985.902744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.902744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.902744 (E_RNA) where: Base-Base interactions energy: -562.535 where: short stacking energy: -279.697 Base-Backbone interact. energy: 2.804 local terms energy: -426.171531 where: bonds (distance) C4'-P energy: -113.514 bonds (distance) P-C4' energy: -97.019 flat angles C4'-P-C4' energy: -112.406 flat angles P-C4'-P energy: -74.837 tors. eta vs tors. theta energy: -28.397 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: 3 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -926.067776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.067776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.067776 (E_RNA) where: Base-Base interactions energy: -534.169 where: short stacking energy: -266.954 Base-Backbone interact. energy: 2.199 local terms energy: -394.097538 where: bonds (distance) C4'-P energy: -111.953 bonds (distance) P-C4' energy: -87.346 flat angles C4'-P-C4' energy: -97.564 flat angles P-C4'-P energy: -67.134 tors. eta vs tors. theta energy: -30.100 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: 10, replica: 5 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -846.205332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.205332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.205332 (E_RNA) where: Base-Base interactions energy: -478.326 where: short stacking energy: -239.525 Base-Backbone interact. energy: -1.827 local terms energy: -366.052024 where: bonds (distance) C4'-P energy: -76.248 bonds (distance) P-C4' energy: -120.158 flat angles C4'-P-C4' energy: -91.454 flat angles P-C4'-P energy: -45.805 tors. eta vs tors. theta energy: -32.387 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: 1, replica: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2289.269407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.269407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.269407 (E_RNA) where: Base-Base interactions energy: -1611.229 where: short stacking energy: -669.054 Base-Backbone interact. energy: -2.978 local terms energy: -675.061814 where: bonds (distance) C4'-P energy: -121.480 bonds (distance) P-C4' energy: -131.485 flat angles C4'-P-C4' energy: -142.404 flat angles P-C4'-P energy: -80.981 tors. eta vs tors. theta energy: -198.712 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: 2, replica: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2229.260515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.260515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.260515 (E_RNA) where: Base-Base interactions energy: -1567.945 where: short stacking energy: -613.316 Base-Backbone interact. energy: -2.659 local terms energy: -658.656059 where: bonds (distance) C4'-P energy: -132.301 bonds (distance) P-C4' energy: -127.360 flat angles C4'-P-C4' energy: -135.424 flat angles P-C4'-P energy: -87.961 tors. eta vs tors. theta energy: -175.610 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: 4 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2069.540049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.540049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.540049 (E_RNA) where: Base-Base interactions energy: -1423.931 where: short stacking energy: -574.115 Base-Backbone interact. energy: -4.804 local terms energy: -640.805602 where: bonds (distance) C4'-P energy: -121.286 bonds (distance) P-C4' energy: -121.380 flat angles C4'-P-C4' energy: -135.648 flat angles P-C4'-P energy: -101.084 tors. eta vs tors. theta energy: -161.406 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: 4, replica: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2026.349933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.349933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.349933 (E_RNA) where: Base-Base interactions energy: -1400.252 where: short stacking energy: -580.851 Base-Backbone interact. energy: -1.712 local terms energy: -624.386205 where: bonds (distance) C4'-P energy: -103.274 bonds (distance) P-C4' energy: -108.455 flat angles C4'-P-C4' energy: -140.032 flat angles P-C4'-P energy: -97.388 tors. eta vs tors. theta energy: -175.237 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: 5, replica: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1874.773250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.773250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.773250 (E_RNA) where: Base-Base interactions energy: -1287.774 where: short stacking energy: -514.817 Base-Backbone interact. energy: 2.354 local terms energy: -589.353763 where: bonds (distance) C4'-P energy: -107.786 bonds (distance) P-C4' energy: -115.815 flat angles C4'-P-C4' energy: -122.400 flat angles P-C4'-P energy: -89.934 tors. eta vs tors. theta energy: -153.419 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: 6, replica: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1694.727539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.727539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.727539 (E_RNA) where: Base-Base interactions energy: -1147.444 where: short stacking energy: -489.231 Base-Backbone interact. energy: 3.075 local terms energy: -550.359194 where: bonds (distance) C4'-P energy: -96.394 bonds (distance) P-C4' energy: -104.838 flat angles C4'-P-C4' energy: -126.956 flat angles P-C4'-P energy: -79.187 tors. eta vs tors. theta energy: -142.985 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: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1597.845169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.845169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.845169 (E_RNA) where: Base-Base interactions energy: -1061.681 where: short stacking energy: -455.280 Base-Backbone interact. energy: -2.388 local terms energy: -533.775872 where: bonds (distance) C4'-P energy: -90.581 bonds (distance) P-C4' energy: -104.190 flat angles C4'-P-C4' energy: -130.538 flat angles P-C4'-P energy: -83.258 tors. eta vs tors. theta energy: -125.208 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: 8, replica: 2 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -979.489149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.489149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.489149 (E_RNA) where: Base-Base interactions energy: -587.664 where: short stacking energy: -254.341 Base-Backbone interact. energy: 5.268 local terms energy: -397.093686 where: bonds (distance) C4'-P energy: -101.008 bonds (distance) P-C4' energy: -109.331 flat angles C4'-P-C4' energy: -102.575 flat angles P-C4'-P energy: -56.499 tors. eta vs tors. theta energy: -27.680 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: 9, replica: 3 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -895.729982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.729982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.729982 (E_RNA) where: Base-Base interactions energy: -540.319 where: short stacking energy: -242.250 Base-Backbone interact. energy: 5.301 local terms energy: -360.712229 where: bonds (distance) C4'-P energy: -94.185 bonds (distance) P-C4' energy: -97.511 flat angles C4'-P-C4' energy: -86.688 flat angles P-C4'-P energy: -60.078 tors. eta vs tors. theta energy: -22.251 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: 10, replica: 5 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -843.944728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.944728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.944728 (E_RNA) where: Base-Base interactions energy: -451.435 where: short stacking energy: -201.708 Base-Backbone interact. energy: 2.331 local terms energy: -394.840916 where: bonds (distance) C4'-P energy: -101.450 bonds (distance) P-C4' energy: -113.229 flat angles C4'-P-C4' energy: -96.757 flat angles P-C4'-P energy: -59.489 tors. eta vs tors. theta energy: -23.916 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: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2253.389540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.389540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.389540 (E_RNA) where: Base-Base interactions energy: -1573.899 where: short stacking energy: -663.478 Base-Backbone interact. energy: -2.686 local terms energy: -676.804996 where: bonds (distance) C4'-P energy: -118.318 bonds (distance) P-C4' energy: -129.037 flat angles C4'-P-C4' energy: -143.504 flat angles P-C4'-P energy: -90.534 tors. eta vs tors. theta energy: -195.412 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: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2210.402786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.402786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.402786 (E_RNA) where: Base-Base interactions energy: -1563.908 where: short stacking energy: -624.878 Base-Backbone interact. energy: -3.007 local terms energy: -643.487286 where: bonds (distance) C4'-P energy: -120.040 bonds (distance) P-C4' energy: -125.531 flat angles C4'-P-C4' energy: -133.883 flat angles P-C4'-P energy: -94.741 tors. eta vs tors. theta energy: -169.292 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: 3, replica: 4 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2064.923191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.923191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.923191 (E_RNA) where: Base-Base interactions energy: -1447.361 where: short stacking energy: -579.288 Base-Backbone interact. energy: -1.904 local terms energy: -615.658559 where: bonds (distance) C4'-P energy: -122.637 bonds (distance) P-C4' energy: -111.091 flat angles C4'-P-C4' energy: -139.731 flat angles P-C4'-P energy: -81.839 tors. eta vs tors. theta energy: -160.362 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: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2025.263148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.263148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.263148 (E_RNA) where: Base-Base interactions energy: -1380.166 where: short stacking energy: -566.528 Base-Backbone interact. energy: -3.183 local terms energy: -641.914626 where: bonds (distance) C4'-P energy: -106.514 bonds (distance) P-C4' energy: -129.665 flat angles C4'-P-C4' energy: -143.779 flat angles P-C4'-P energy: -92.983 tors. eta vs tors. theta energy: -168.974 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: 5, replica: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1915.873274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.873274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.873274 (E_RNA) where: Base-Base interactions energy: -1310.251 where: short stacking energy: -545.873 Base-Backbone interact. energy: 0.215 local terms energy: -605.836711 where: bonds (distance) C4'-P energy: -122.290 bonds (distance) P-C4' energy: -112.926 flat angles C4'-P-C4' energy: -130.274 flat angles P-C4'-P energy: -82.198 tors. eta vs tors. theta energy: -158.149 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: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1687.807577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.807577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.807577 (E_RNA) where: Base-Base interactions energy: -1133.526 where: short stacking energy: -465.567 Base-Backbone interact. energy: -1.572 local terms energy: -552.709272 where: bonds (distance) C4'-P energy: -108.848 bonds (distance) P-C4' energy: -111.316 flat angles C4'-P-C4' energy: -125.071 flat angles P-C4'-P energy: -81.292 tors. eta vs tors. theta energy: -126.181 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: 7, replica: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1529.971806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.971806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.971806 (E_RNA) where: Base-Base interactions energy: -1018.609 where: short stacking energy: -443.180 Base-Backbone interact. energy: -1.051 local terms energy: -510.312211 where: bonds (distance) C4'-P energy: -105.627 bonds (distance) P-C4' energy: -98.658 flat angles C4'-P-C4' energy: -107.950 flat angles P-C4'-P energy: -72.426 tors. eta vs tors. theta energy: -125.651 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: 8, replica: 2 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1058.607845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.607845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.607845 (E_RNA) where: Base-Base interactions energy: -641.791 where: short stacking energy: -319.114 Base-Backbone interact. energy: -1.230 local terms energy: -415.586536 where: bonds (distance) C4'-P energy: -77.711 bonds (distance) P-C4' energy: -108.726 flat angles C4'-P-C4' energy: -105.293 flat angles P-C4'-P energy: -61.250 tors. eta vs tors. theta energy: -62.606 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: 3 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -927.749288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.749288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.749288 (E_RNA) where: Base-Base interactions energy: -535.744 where: short stacking energy: -262.571 Base-Backbone interact. energy: -2.429 local terms energy: -389.575798 where: bonds (distance) C4'-P energy: -104.436 bonds (distance) P-C4' energy: -115.975 flat angles C4'-P-C4' energy: -93.167 flat angles P-C4'-P energy: -56.740 tors. eta vs tors. theta energy: -19.258 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: 5 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -792.180795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.180795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.180795 (E_RNA) where: Base-Base interactions energy: -409.433 where: short stacking energy: -200.247 Base-Backbone interact. energy: 0.571 local terms energy: -383.318559 where: bonds (distance) C4'-P energy: -112.647 bonds (distance) P-C4' energy: -106.299 flat angles C4'-P-C4' energy: -98.227 flat angles P-C4'-P energy: -57.305 tors. eta vs tors. theta energy: -8.840 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: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2258.103826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.103826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.103826 (E_RNA) where: Base-Base interactions energy: -1622.607 where: short stacking energy: -632.270 Base-Backbone interact. energy: -1.570 local terms energy: -633.927241 where: bonds (distance) C4'-P energy: -115.411 bonds (distance) P-C4' energy: -112.107 flat angles C4'-P-C4' energy: -141.282 flat angles P-C4'-P energy: -91.379 tors. eta vs tors. theta energy: -173.748 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: 2, replica: 10 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2199.927853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.927853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.927853 (E_RNA) where: Base-Base interactions energy: -1530.937 where: short stacking energy: -631.352 Base-Backbone interact. energy: -2.761 local terms energy: -666.230265 where: bonds (distance) C4'-P energy: -123.912 bonds (distance) P-C4' energy: -116.188 flat angles C4'-P-C4' energy: -143.649 flat angles P-C4'-P energy: -95.812 tors. eta vs tors. theta energy: -186.669 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: 3, replica: 7 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2070.868264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.868264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.868264 (E_RNA) where: Base-Base interactions energy: -1423.160 where: short stacking energy: -569.755 Base-Backbone interact. energy: -4.202 local terms energy: -643.505546 where: bonds (distance) C4'-P energy: -118.535 bonds (distance) P-C4' energy: -119.179 flat angles C4'-P-C4' energy: -137.031 flat angles P-C4'-P energy: -98.861 tors. eta vs tors. theta energy: -169.899 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: 4 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1999.587187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.587187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.587187 (E_RNA) where: Base-Base interactions energy: -1396.570 where: short stacking energy: -562.259 Base-Backbone interact. energy: -1.231 local terms energy: -601.786041 where: bonds (distance) C4'-P energy: -120.431 bonds (distance) P-C4' energy: -110.295 flat angles C4'-P-C4' energy: -125.860 flat angles P-C4'-P energy: -86.958 tors. eta vs tors. theta energy: -158.242 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: 5, replica: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1848.659467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.659467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.659467 (E_RNA) where: Base-Base interactions energy: -1272.197 where: short stacking energy: -494.515 Base-Backbone interact. energy: 2.878 local terms energy: -579.340048 where: bonds (distance) C4'-P energy: -115.534 bonds (distance) P-C4' energy: -127.715 flat angles C4'-P-C4' energy: -132.183 flat angles P-C4'-P energy: -68.229 tors. eta vs tors. theta energy: -135.680 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: 6, replica: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1676.567016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.567016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.567016 (E_RNA) where: Base-Base interactions energy: -1153.259 where: short stacking energy: -488.740 Base-Backbone interact. energy: 3.756 local terms energy: -527.063459 where: bonds (distance) C4'-P energy: -94.767 bonds (distance) P-C4' energy: -115.759 flat angles C4'-P-C4' energy: -104.204 flat angles P-C4'-P energy: -87.387 tors. eta vs tors. theta energy: -124.946 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: 7, replica: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1549.337761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.337761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.337761 (E_RNA) where: Base-Base interactions energy: -1026.938 where: short stacking energy: -455.243 Base-Backbone interact. energy: 1.462 local terms energy: -523.861292 where: bonds (distance) C4'-P energy: -100.855 bonds (distance) P-C4' energy: -104.992 flat angles C4'-P-C4' energy: -111.317 flat angles P-C4'-P energy: -67.828 tors. eta vs tors. theta energy: -138.869 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: 8, replica: 2 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1143.832534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.832534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.832534 (E_RNA) where: Base-Base interactions energy: -688.037 where: short stacking energy: -314.576 Base-Backbone interact. energy: -0.617 local terms energy: -455.177900 where: bonds (distance) C4'-P energy: -105.657 bonds (distance) P-C4' energy: -123.755 flat angles C4'-P-C4' energy: -117.006 flat angles P-C4'-P energy: -51.398 tors. eta vs tors. theta energy: -57.362 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: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -944.538915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.538915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.538915 (E_RNA) where: Base-Base interactions energy: -550.086 where: short stacking energy: -263.203 Base-Backbone interact. energy: 6.114 local terms energy: -400.566650 where: bonds (distance) C4'-P energy: -96.822 bonds (distance) P-C4' energy: -91.714 flat angles C4'-P-C4' energy: -110.447 flat angles P-C4'-P energy: -65.802 tors. eta vs tors. theta energy: -35.782 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: 10, replica: 5 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -758.230797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.230797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.230797 (E_RNA) where: Base-Base interactions energy: -420.365 where: short stacking energy: -209.287 Base-Backbone interact. energy: 1.242 local terms energy: -339.108272 where: bonds (distance) C4'-P energy: -92.098 bonds (distance) P-C4' energy: -118.616 flat angles C4'-P-C4' energy: -83.637 flat angles P-C4'-P energy: -44.956 tors. eta vs tors. theta energy: 0.199 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: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2289.375362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.375362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.375362 (E_RNA) where: Base-Base interactions energy: -1619.652 where: short stacking energy: -632.989 Base-Backbone interact. energy: -1.775 local terms energy: -667.948456 where: bonds (distance) C4'-P energy: -130.423 bonds (distance) P-C4' energy: -131.027 flat angles C4'-P-C4' energy: -132.054 flat angles P-C4'-P energy: -99.993 tors. eta vs tors. theta energy: -174.451 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: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2204.292082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.292082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.292082 (E_RNA) where: Base-Base interactions energy: -1533.282 where: short stacking energy: -644.759 Base-Backbone interact. energy: -4.501 local terms energy: -666.509529 where: bonds (distance) C4'-P energy: -117.059 bonds (distance) P-C4' energy: -116.837 flat angles C4'-P-C4' energy: -143.169 flat angles P-C4'-P energy: -91.084 tors. eta vs tors. theta energy: -198.361 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: 3, replica: 7 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2095.563737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.563737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.563737 (E_RNA) where: Base-Base interactions energy: -1449.921 where: short stacking energy: -609.058 Base-Backbone interact. energy: -0.541 local terms energy: -645.101738 where: bonds (distance) C4'-P energy: -118.580 bonds (distance) P-C4' energy: -123.478 flat angles C4'-P-C4' energy: -138.743 flat angles P-C4'-P energy: -83.930 tors. eta vs tors. theta energy: -180.371 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: 387 Temperature: 1.050000 Total energy: -2000.702393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.702393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.702393 (E_RNA) where: Base-Base interactions energy: -1398.035 where: short stacking energy: -564.180 Base-Backbone interact. energy: -3.312 local terms energy: -599.355197 where: bonds (distance) C4'-P energy: -117.418 bonds (distance) P-C4' energy: -102.382 flat angles C4'-P-C4' energy: -138.413 flat angles P-C4'-P energy: -83.626 tors. eta vs tors. theta energy: -157.515 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: 5, replica: 6 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1815.436829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.436829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.436829 (E_RNA) where: Base-Base interactions energy: -1254.467 where: short stacking energy: -507.922 Base-Backbone interact. energy: -3.809 local terms energy: -557.160357 where: bonds (distance) C4'-P energy: -116.209 bonds (distance) P-C4' energy: -99.668 flat angles C4'-P-C4' energy: -119.503 flat angles P-C4'-P energy: -92.000 tors. eta vs tors. theta energy: -129.781 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: 6, replica: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1668.398188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.398188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.398188 (E_RNA) where: Base-Base interactions energy: -1109.498 where: short stacking energy: -484.403 Base-Backbone interact. energy: 2.949 local terms energy: -561.848994 where: bonds (distance) C4'-P energy: -108.335 bonds (distance) P-C4' energy: -121.627 flat angles C4'-P-C4' energy: -124.162 flat angles P-C4'-P energy: -77.127 tors. eta vs tors. theta energy: -130.598 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: 7, replica: 9 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1578.256823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.256823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.256823 (E_RNA) where: Base-Base interactions energy: -1051.227 where: short stacking energy: -464.966 Base-Backbone interact. energy: 3.721 local terms energy: -530.750951 where: bonds (distance) C4'-P energy: -92.276 bonds (distance) P-C4' energy: -119.255 flat angles C4'-P-C4' energy: -107.678 flat angles P-C4'-P energy: -80.662 tors. eta vs tors. theta energy: -130.880 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: 8, replica: 2 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1172.001846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.001846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.001846 (E_RNA) where: Base-Base interactions energy: -743.000 where: short stacking energy: -325.405 Base-Backbone interact. energy: 0.614 local terms energy: -429.615478 where: bonds (distance) C4'-P energy: -88.856 bonds (distance) P-C4' energy: -108.703 flat angles C4'-P-C4' energy: -111.326 flat angles P-C4'-P energy: -72.839 tors. eta vs tors. theta energy: -47.891 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: 9, replica: 3 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -945.125942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.125942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.125942 (E_RNA) where: Base-Base interactions energy: -532.627 where: short stacking energy: -245.460 Base-Backbone interact. energy: -2.433 local terms energy: -410.066271 where: bonds (distance) C4'-P energy: -101.878 bonds (distance) P-C4' energy: -123.454 flat angles C4'-P-C4' energy: -88.382 flat angles P-C4'-P energy: -55.666 tors. eta vs tors. theta energy: -40.687 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: 10, replica: 5 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -767.274394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.274394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.274394 (E_RNA) where: Base-Base interactions energy: -419.839 where: short stacking energy: -209.144 Base-Backbone interact. energy: 0.837 local terms energy: -348.272929 where: bonds (distance) C4'-P energy: -81.143 bonds (distance) P-C4' energy: -100.385 flat angles C4'-P-C4' energy: -113.762 flat angles P-C4'-P energy: -31.112 tors. eta vs tors. theta energy: -21.872 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: 1, replica: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2280.275127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.275127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.275127 (E_RNA) where: Base-Base interactions energy: -1602.473 where: short stacking energy: -641.740 Base-Backbone interact. energy: -2.824 local terms energy: -674.977845 where: bonds (distance) C4'-P energy: -133.150 bonds (distance) P-C4' energy: -124.162 flat angles C4'-P-C4' energy: -143.629 flat angles P-C4'-P energy: -89.013 tors. eta vs tors. theta energy: -185.025 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: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2183.161517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.161517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.161517 (E_RNA) where: Base-Base interactions energy: -1512.945 where: short stacking energy: -636.914 Base-Backbone interact. energy: -4.213 local terms energy: -666.003382 where: bonds (distance) C4'-P energy: -128.620 bonds (distance) P-C4' energy: -123.552 flat angles C4'-P-C4' energy: -144.252 flat angles P-C4'-P energy: -81.134 tors. eta vs tors. theta energy: -188.445 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: 3, replica: 7 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2113.624588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.624588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.624588 (E_RNA) where: Base-Base interactions energy: -1463.570 where: short stacking energy: -605.738 Base-Backbone interact. energy: -1.814 local terms energy: -648.240323 where: bonds (distance) C4'-P energy: -116.868 bonds (distance) P-C4' energy: -117.316 flat angles C4'-P-C4' energy: -139.577 flat angles P-C4'-P energy: -89.789 tors. eta vs tors. theta energy: -184.690 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: 4, replica: 4 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1986.644475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.644475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.644475 (E_RNA) where: Base-Base interactions energy: -1377.851 where: short stacking energy: -570.336 Base-Backbone interact. energy: -3.110 local terms energy: -605.683264 where: bonds (distance) C4'-P energy: -111.867 bonds (distance) P-C4' energy: -108.791 flat angles C4'-P-C4' energy: -133.519 flat angles P-C4'-P energy: -89.420 tors. eta vs tors. theta energy: -162.087 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: 5, replica: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1812.772023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.772023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.772023 (E_RNA) where: Base-Base interactions energy: -1249.486 where: short stacking energy: -523.203 Base-Backbone interact. energy: -2.352 local terms energy: -560.933697 where: bonds (distance) C4'-P energy: -114.204 bonds (distance) P-C4' energy: -115.197 flat angles C4'-P-C4' energy: -116.887 flat angles P-C4'-P energy: -68.527 tors. eta vs tors. theta energy: -146.118 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: 6, replica: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1637.625808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.625808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.625808 (E_RNA) where: Base-Base interactions energy: -1104.855 where: short stacking energy: -461.960 Base-Backbone interact. energy: -1.804 local terms energy: -530.966521 where: bonds (distance) C4'-P energy: -113.570 bonds (distance) P-C4' energy: -114.601 flat angles C4'-P-C4' energy: -114.272 flat angles P-C4'-P energy: -63.617 tors. eta vs tors. theta energy: -124.907 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: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1444.597816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.597816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.597816 (E_RNA) where: Base-Base interactions energy: -923.310 where: short stacking energy: -429.386 Base-Backbone interact. energy: -2.410 local terms energy: -518.877554 where: bonds (distance) C4'-P energy: -87.651 bonds (distance) P-C4' energy: -110.684 flat angles C4'-P-C4' energy: -119.164 flat angles P-C4'-P energy: -95.979 tors. eta vs tors. theta energy: -105.399 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: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1185.404033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.404033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.404033 (E_RNA) where: Base-Base interactions energy: -760.020 where: short stacking energy: -339.024 Base-Backbone interact. energy: -0.885 local terms energy: -424.499060 where: bonds (distance) C4'-P energy: -84.451 bonds (distance) P-C4' energy: -116.111 flat angles C4'-P-C4' energy: -108.566 flat angles P-C4'-P energy: -50.700 tors. eta vs tors. theta energy: -64.671 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: 9, replica: 3 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -920.091003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.091003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.091003 (E_RNA) where: Base-Base interactions energy: -538.126 where: short stacking energy: -283.869 Base-Backbone interact. energy: 12.409 local terms energy: -394.374442 where: bonds (distance) C4'-P energy: -87.862 bonds (distance) P-C4' energy: -101.376 flat angles C4'-P-C4' energy: -112.551 flat angles P-C4'-P energy: -55.755 tors. eta vs tors. theta energy: -36.830 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: 10, replica: 5 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -799.795906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.795906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.795906 (E_RNA) where: Base-Base interactions energy: -450.298 where: short stacking energy: -226.597 Base-Backbone interact. energy: -1.884 local terms energy: -347.613579 where: bonds (distance) C4'-P energy: -99.606 bonds (distance) P-C4' energy: -90.428 flat angles C4'-P-C4' energy: -97.684 flat angles P-C4'-P energy: -41.633 tors. eta vs tors. theta energy: -18.263 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: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2266.671666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.671666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.671666 (E_RNA) where: Base-Base interactions energy: -1617.652 where: short stacking energy: -636.895 Base-Backbone interact. energy: -0.219 local terms energy: -648.800117 where: bonds (distance) C4'-P energy: -119.300 bonds (distance) P-C4' energy: -121.881 flat angles C4'-P-C4' energy: -135.652 flat angles P-C4'-P energy: -91.509 tors. eta vs tors. theta energy: -180.457 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: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2190.757157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.757157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.757157 (E_RNA) where: Base-Base interactions energy: -1513.825 where: short stacking energy: -615.543 Base-Backbone interact. energy: -3.588 local terms energy: -673.343453 where: bonds (distance) C4'-P energy: -129.714 bonds (distance) P-C4' energy: -116.520 flat angles C4'-P-C4' energy: -145.132 flat angles P-C4'-P energy: -93.825 tors. eta vs tors. theta energy: -188.153 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: 3, replica: 7 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2096.586580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.586580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.586580 (E_RNA) where: Base-Base interactions energy: -1468.908 where: short stacking energy: -625.491 Base-Backbone interact. energy: -2.193 local terms energy: -625.486166 where: bonds (distance) C4'-P energy: -99.031 bonds (distance) P-C4' energy: -108.417 flat angles C4'-P-C4' energy: -146.514 flat angles P-C4'-P energy: -89.644 tors. eta vs tors. theta energy: -181.881 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: 4, replica: 4 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2008.328046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.328046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.328046 (E_RNA) where: Base-Base interactions energy: -1383.562 where: short stacking energy: -558.350 Base-Backbone interact. energy: -3.291 local terms energy: -621.475179 where: bonds (distance) C4'-P energy: -107.591 bonds (distance) P-C4' energy: -117.047 flat angles C4'-P-C4' energy: -137.904 flat angles P-C4'-P energy: -104.644 tors. eta vs tors. theta energy: -154.290 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: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1851.370917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.370917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.370917 (E_RNA) where: Base-Base interactions energy: -1292.593 where: short stacking energy: -550.456 Base-Backbone interact. energy: 1.588 local terms energy: -560.366358 where: bonds (distance) C4'-P energy: -101.291 bonds (distance) P-C4' energy: -106.858 flat angles C4'-P-C4' energy: -123.138 flat angles P-C4'-P energy: -84.585 tors. eta vs tors. theta energy: -144.494 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: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1607.773772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.773772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.773772 (E_RNA) where: Base-Base interactions energy: -1083.381 where: short stacking energy: -460.949 Base-Backbone interact. energy: -3.379 local terms energy: -521.013828 where: bonds (distance) C4'-P energy: -108.171 bonds (distance) P-C4' energy: -108.173 flat angles C4'-P-C4' energy: -108.075 flat angles P-C4'-P energy: -73.103 tors. eta vs tors. theta energy: -123.493 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: 9 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1512.924994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.924994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.924994 (E_RNA) where: Base-Base interactions energy: -1011.952 where: short stacking energy: -425.867 Base-Backbone interact. energy: -3.106 local terms energy: -497.867418 where: bonds (distance) C4'-P energy: -106.077 bonds (distance) P-C4' energy: -91.667 flat angles C4'-P-C4' energy: -117.536 flat angles P-C4'-P energy: -72.099 tors. eta vs tors. theta energy: -110.489 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: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1135.712702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.712702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.712702 (E_RNA) where: Base-Base interactions energy: -678.699 where: short stacking energy: -312.980 Base-Backbone interact. energy: 1.325 local terms energy: -458.339155 where: bonds (distance) C4'-P energy: -119.869 bonds (distance) P-C4' energy: -107.626 flat angles C4'-P-C4' energy: -100.781 flat angles P-C4'-P energy: -66.677 tors. eta vs tors. theta energy: -63.386 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: 9, replica: 3 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -948.252883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.252883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.252883 (E_RNA) where: Base-Base interactions energy: -523.608 where: short stacking energy: -252.606 Base-Backbone interact. energy: -1.264 local terms energy: -423.380771 where: bonds (distance) C4'-P energy: -97.971 bonds (distance) P-C4' energy: -116.141 flat angles C4'-P-C4' energy: -108.641 flat angles P-C4'-P energy: -66.594 tors. eta vs tors. theta energy: -34.035 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: 5 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -782.249001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.249001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.249001 (E_RNA) where: Base-Base interactions energy: -394.780 where: short stacking energy: -200.807 Base-Backbone interact. energy: 2.383 local terms energy: -389.851513 where: bonds (distance) C4'-P energy: -106.908 bonds (distance) P-C4' energy: -121.252 flat angles C4'-P-C4' energy: -85.995 flat angles P-C4'-P energy: -60.203 tors. eta vs tors. theta energy: -15.494 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: 1, replica: 1 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2282.285973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.285973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.285973 (E_RNA) where: Base-Base interactions energy: -1607.513 where: short stacking energy: -647.224 Base-Backbone interact. energy: 0.998 local terms energy: -675.770969 where: bonds (distance) C4'-P energy: -109.372 bonds (distance) P-C4' energy: -138.085 flat angles C4'-P-C4' energy: -145.717 flat angles P-C4'-P energy: -94.754 tors. eta vs tors. theta energy: -187.844 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: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2205.507757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.507757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.507757 (E_RNA) where: Base-Base interactions energy: -1535.370 where: short stacking energy: -638.162 Base-Backbone interact. energy: -3.791 local terms energy: -666.346717 where: bonds (distance) C4'-P energy: -120.326 bonds (distance) P-C4' energy: -123.979 flat angles C4'-P-C4' energy: -144.576 flat angles P-C4'-P energy: -91.241 tors. eta vs tors. theta energy: -186.224 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: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2116.303050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.303050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.303050 (E_RNA) where: Base-Base interactions energy: -1470.228 where: short stacking energy: -618.411 Base-Backbone interact. energy: 1.541 local terms energy: -647.616028 where: bonds (distance) C4'-P energy: -118.118 bonds (distance) P-C4' energy: -117.538 flat angles C4'-P-C4' energy: -137.016 flat angles P-C4'-P energy: -93.819 tors. eta vs tors. theta energy: -181.125 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: 4, replica: 4 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1993.938639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.938639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.938639 (E_RNA) where: Base-Base interactions energy: -1401.639 where: short stacking energy: -583.735 Base-Backbone interact. energy: 2.008 local terms energy: -594.307345 where: bonds (distance) C4'-P energy: -96.625 bonds (distance) P-C4' energy: -120.026 flat angles C4'-P-C4' energy: -128.594 flat angles P-C4'-P energy: -85.962 tors. eta vs tors. theta energy: -163.100 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: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1885.179232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.179232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.179232 (E_RNA) where: Base-Base interactions energy: -1305.197 where: short stacking energy: -545.391 Base-Backbone interact. energy: 0.296 local terms energy: -580.278488 where: bonds (distance) C4'-P energy: -112.485 bonds (distance) P-C4' energy: -123.764 flat angles C4'-P-C4' energy: -133.049 flat angles P-C4'-P energy: -78.546 tors. eta vs tors. theta energy: -132.435 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: 6, replica: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1635.628650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.628650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.628650 (E_RNA) where: Base-Base interactions energy: -1094.272 where: short stacking energy: -502.737 Base-Backbone interact. energy: -0.023 local terms energy: -541.333383 where: bonds (distance) C4'-P energy: -106.914 bonds (distance) P-C4' energy: -123.113 flat angles C4'-P-C4' energy: -118.991 flat angles P-C4'-P energy: -65.297 tors. eta vs tors. theta energy: -127.018 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: 7, replica: 9 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1500.464290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.464290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.464290 (E_RNA) where: Base-Base interactions energy: -1011.941 where: short stacking energy: -427.836 Base-Backbone interact. energy: 0.267 local terms energy: -488.789669 where: bonds (distance) C4'-P energy: -98.484 bonds (distance) P-C4' energy: -91.909 flat angles C4'-P-C4' energy: -121.661 flat angles P-C4'-P energy: -62.047 tors. eta vs tors. theta energy: -114.689 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: 8, replica: 2 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1158.124427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.124427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.124427 (E_RNA) where: Base-Base interactions energy: -737.604 where: short stacking energy: -359.207 Base-Backbone interact. energy: 0.236 local terms energy: -420.756382 where: bonds (distance) C4'-P energy: -85.107 bonds (distance) P-C4' energy: -94.893 flat angles C4'-P-C4' energy: -114.482 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: -58.887 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: 9, replica: 3 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -987.527348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.527348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.527348 (E_RNA) where: Base-Base interactions energy: -606.250 where: short stacking energy: -274.374 Base-Backbone interact. energy: -0.269 local terms energy: -381.008807 where: bonds (distance) C4'-P energy: -85.624 bonds (distance) P-C4' energy: -89.217 flat angles C4'-P-C4' energy: -96.432 flat angles P-C4'-P energy: -70.931 tors. eta vs tors. theta energy: -38.805 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: 10, replica: 5 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -797.778875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.778875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.778875 (E_RNA) where: Base-Base interactions energy: -443.442 where: short stacking energy: -233.274 Base-Backbone interact. energy: 2.552 local terms energy: -356.889331 where: bonds (distance) C4'-P energy: -89.658 bonds (distance) P-C4' energy: -101.316 flat angles C4'-P-C4' energy: -92.304 flat angles P-C4'-P energy: -51.966 tors. eta vs tors. theta energy: -21.645 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: 1, replica: 1 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2285.312255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.312255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.312255 (E_RNA) where: Base-Base interactions energy: -1616.017 where: short stacking energy: -618.924 Base-Backbone interact. energy: -4.878 local terms energy: -664.417413 where: bonds (distance) C4'-P energy: -123.761 bonds (distance) P-C4' energy: -137.517 flat angles C4'-P-C4' energy: -143.655 flat angles P-C4'-P energy: -83.482 tors. eta vs tors. theta energy: -176.002 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: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2190.015240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.015240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.015240 (E_RNA) where: Base-Base interactions energy: -1537.550 where: short stacking energy: -662.754 Base-Backbone interact. energy: -5.224 local terms energy: -647.240952 where: bonds (distance) C4'-P energy: -117.722 bonds (distance) P-C4' energy: -117.784 flat angles C4'-P-C4' energy: -143.386 flat angles P-C4'-P energy: -88.350 tors. eta vs tors. theta energy: -179.999 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: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2100.281634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.281634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.281634 (E_RNA) where: Base-Base interactions energy: -1455.595 where: short stacking energy: -598.457 Base-Backbone interact. energy: 0.225 local terms energy: -644.911815 where: bonds (distance) C4'-P energy: -114.575 bonds (distance) P-C4' energy: -128.730 flat angles C4'-P-C4' energy: -130.289 flat angles P-C4'-P energy: -91.400 tors. eta vs tors. theta energy: -179.917 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: 4 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1998.541056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.541056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.541056 (E_RNA) where: Base-Base interactions energy: -1369.941 where: short stacking energy: -578.503 Base-Backbone interact. energy: -1.783 local terms energy: -626.817645 where: bonds (distance) C4'-P energy: -119.109 bonds (distance) P-C4' energy: -117.672 flat angles C4'-P-C4' energy: -138.143 flat angles P-C4'-P energy: -87.586 tors. eta vs tors. theta energy: -164.308 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: 5, replica: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1820.002299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.002299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.002299 (E_RNA) where: Base-Base interactions energy: -1278.396 where: short stacking energy: -525.499 Base-Backbone interact. energy: -1.985 local terms energy: -539.621677 where: bonds (distance) C4'-P energy: -87.204 bonds (distance) P-C4' energy: -113.436 flat angles C4'-P-C4' energy: -126.939 flat angles P-C4'-P energy: -86.198 tors. eta vs tors. theta energy: -125.844 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: 6, replica: 8 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1640.466759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.466759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.466759 (E_RNA) where: Base-Base interactions energy: -1087.474 where: short stacking energy: -484.141 Base-Backbone interact. energy: -0.093 local terms energy: -552.899495 where: bonds (distance) C4'-P energy: -95.585 bonds (distance) P-C4' energy: -115.156 flat angles C4'-P-C4' energy: -124.815 flat angles P-C4'-P energy: -91.320 tors. eta vs tors. theta energy: -126.023 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: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1530.707297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.707297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.707297 (E_RNA) where: Base-Base interactions energy: -1026.583 where: short stacking energy: -451.139 Base-Backbone interact. energy: 6.123 local terms energy: -510.247358 where: bonds (distance) C4'-P energy: -111.411 bonds (distance) P-C4' energy: -96.022 flat angles C4'-P-C4' energy: -115.360 flat angles P-C4'-P energy: -70.838 tors. eta vs tors. theta energy: -116.617 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: 8, replica: 2 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1191.244364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.244364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.244364 (E_RNA) where: Base-Base interactions energy: -723.357 where: short stacking energy: -326.803 Base-Backbone interact. energy: -0.890 local terms energy: -466.998175 where: bonds (distance) C4'-P energy: -100.899 bonds (distance) P-C4' energy: -97.456 flat angles C4'-P-C4' energy: -114.932 flat angles P-C4'-P energy: -86.708 tors. eta vs tors. theta energy: -67.003 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: 3 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -965.035773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.035773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.035773 (E_RNA) where: Base-Base interactions energy: -551.887 where: short stacking energy: -269.615 Base-Backbone interact. energy: 1.213 local terms energy: -414.362022 where: bonds (distance) C4'-P energy: -108.646 bonds (distance) P-C4' energy: -107.087 flat angles C4'-P-C4' energy: -110.227 flat angles P-C4'-P energy: -51.599 tors. eta vs tors. theta energy: -36.804 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: 10, replica: 5 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -785.817717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.817717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.817717 (E_RNA) where: Base-Base interactions energy: -451.502 where: short stacking energy: -241.378 Base-Backbone interact. energy: -1.257 local terms energy: -333.058099 where: bonds (distance) C4'-P energy: -87.748 bonds (distance) P-C4' energy: -94.453 flat angles C4'-P-C4' energy: -84.341 flat angles P-C4'-P energy: -40.115 tors. eta vs tors. theta energy: -26.402 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: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2270.923571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.923571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.923571 (E_RNA) where: Base-Base interactions energy: -1604.835 where: short stacking energy: -641.039 Base-Backbone interact. energy: 0.793 local terms energy: -666.882273 where: bonds (distance) C4'-P energy: -128.828 bonds (distance) P-C4' energy: -126.672 flat angles C4'-P-C4' energy: -141.997 flat angles P-C4'-P energy: -90.697 tors. eta vs tors. theta energy: -178.688 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: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2157.792642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.792642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.792642 (E_RNA) where: Base-Base interactions energy: -1495.431 where: short stacking energy: -605.623 Base-Backbone interact. energy: -6.397 local terms energy: -655.964622 where: bonds (distance) C4'-P energy: -126.404 bonds (distance) P-C4' energy: -116.018 flat angles C4'-P-C4' energy: -138.156 flat angles P-C4'-P energy: -96.293 tors. eta vs tors. theta energy: -179.094 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: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2108.202750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.202750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.202750 (E_RNA) where: Base-Base interactions energy: -1467.280 where: short stacking energy: -622.756 Base-Backbone interact. energy: -0.161 local terms energy: -640.761714 where: bonds (distance) C4'-P energy: -114.627 bonds (distance) P-C4' energy: -113.012 flat angles C4'-P-C4' energy: -130.898 flat angles P-C4'-P energy: -90.211 tors. eta vs tors. theta energy: -192.015 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: 4, replica: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1977.999002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.999002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.999002 (E_RNA) where: Base-Base interactions energy: -1405.096 where: short stacking energy: -564.999 Base-Backbone interact. energy: -2.147 local terms energy: -570.756383 where: bonds (distance) C4'-P energy: -103.382 bonds (distance) P-C4' energy: -102.681 flat angles C4'-P-C4' energy: -132.976 flat angles P-C4'-P energy: -77.063 tors. eta vs tors. theta energy: -154.654 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: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1814.859221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.859221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.859221 (E_RNA) where: Base-Base interactions energy: -1248.312 where: short stacking energy: -499.857 Base-Backbone interact. energy: -0.440 local terms energy: -566.108138 where: bonds (distance) C4'-P energy: -114.162 bonds (distance) P-C4' energy: -114.720 flat angles C4'-P-C4' energy: -118.997 flat angles P-C4'-P energy: -81.171 tors. eta vs tors. theta energy: -137.059 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: 6, replica: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1619.674287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.674287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.674287 (E_RNA) where: Base-Base interactions energy: -1107.786 where: short stacking energy: -447.405 Base-Backbone interact. energy: 2.210 local terms energy: -514.098147 where: bonds (distance) C4'-P energy: -95.005 bonds (distance) P-C4' energy: -119.077 flat angles C4'-P-C4' energy: -108.439 flat angles P-C4'-P energy: -78.443 tors. eta vs tors. theta energy: -113.134 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: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1546.015749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.015749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.015749 (E_RNA) where: Base-Base interactions energy: -1024.064 where: short stacking energy: -455.476 Base-Backbone interact. energy: 0.904 local terms energy: -522.856164 where: bonds (distance) C4'-P energy: -109.504 bonds (distance) P-C4' energy: -95.260 flat angles C4'-P-C4' energy: -113.676 flat angles P-C4'-P energy: -82.828 tors. eta vs tors. theta energy: -121.587 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: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1185.387864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.387864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.387864 (E_RNA) where: Base-Base interactions energy: -745.455 where: short stacking energy: -365.453 Base-Backbone interact. energy: -0.443 local terms energy: -439.489564 where: bonds (distance) C4'-P energy: -95.953 bonds (distance) P-C4' energy: -111.455 flat angles C4'-P-C4' energy: -99.783 flat angles P-C4'-P energy: -55.091 tors. eta vs tors. theta energy: -77.207 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: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1035.928460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.928460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.928460 (E_RNA) where: Base-Base interactions energy: -632.086 where: short stacking energy: -295.489 Base-Backbone interact. energy: -1.538 local terms energy: -402.304772 where: bonds (distance) C4'-P energy: -105.895 bonds (distance) P-C4' energy: -98.860 flat angles C4'-P-C4' energy: -92.551 flat angles P-C4'-P energy: -61.162 tors. eta vs tors. theta energy: -43.836 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: 10, replica: 5 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -791.196461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.196461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.196461 (E_RNA) where: Base-Base interactions energy: -427.854 where: short stacking energy: -229.252 Base-Backbone interact. energy: 0.345 local terms energy: -363.688312 where: bonds (distance) C4'-P energy: -103.804 bonds (distance) P-C4' energy: -99.747 flat angles C4'-P-C4' energy: -86.529 flat angles P-C4'-P energy: -52.933 tors. eta vs tors. theta energy: -20.675 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: 1, replica: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2302.198988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.198988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.198988 (E_RNA) where: Base-Base interactions energy: -1629.764 where: short stacking energy: -644.117 Base-Backbone interact. energy: 3.183 local terms energy: -675.617770 where: bonds (distance) C4'-P energy: -131.394 bonds (distance) P-C4' energy: -120.591 flat angles C4'-P-C4' energy: -142.534 flat angles P-C4'-P energy: -98.497 tors. eta vs tors. theta energy: -182.602 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: 2, replica: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2171.586200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.586200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.586200 (E_RNA) where: Base-Base interactions energy: -1512.270 where: short stacking energy: -631.386 Base-Backbone interact. energy: -3.979 local terms energy: -655.337498 where: bonds (distance) C4'-P energy: -131.729 bonds (distance) P-C4' energy: -110.699 flat angles C4'-P-C4' energy: -136.385 flat angles P-C4'-P energy: -97.236 tors. eta vs tors. theta energy: -179.287 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: 7 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2101.544802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.544802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.544802 (E_RNA) where: Base-Base interactions energy: -1448.083 where: short stacking energy: -598.488 Base-Backbone interact. energy: -2.020 local terms energy: -651.441224 where: bonds (distance) C4'-P energy: -122.979 bonds (distance) P-C4' energy: -119.181 flat angles C4'-P-C4' energy: -143.810 flat angles P-C4'-P energy: -85.287 tors. eta vs tors. theta energy: -180.184 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: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1970.569839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.569839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.569839 (E_RNA) where: Base-Base interactions energy: -1389.120 where: short stacking energy: -576.305 Base-Backbone interact. energy: 6.743 local terms energy: -588.192027 where: bonds (distance) C4'-P energy: -116.279 bonds (distance) P-C4' energy: -95.082 flat angles C4'-P-C4' energy: -121.406 flat angles P-C4'-P energy: -89.213 tors. eta vs tors. theta energy: -166.212 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: 5, replica: 6 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1781.376688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.376688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.376688 (E_RNA) where: Base-Base interactions energy: -1221.701 where: short stacking energy: -496.983 Base-Backbone interact. energy: -1.396 local terms energy: -558.279901 where: bonds (distance) C4'-P energy: -100.276 bonds (distance) P-C4' energy: -125.218 flat angles C4'-P-C4' energy: -129.435 flat angles P-C4'-P energy: -76.075 tors. eta vs tors. theta energy: -127.276 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: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1642.147090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.147090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.147090 (E_RNA) where: Base-Base interactions energy: -1106.401 where: short stacking energy: -475.114 Base-Backbone interact. energy: -2.168 local terms energy: -533.578178 where: bonds (distance) C4'-P energy: -101.847 bonds (distance) P-C4' energy: -117.684 flat angles C4'-P-C4' energy: -116.026 flat angles P-C4'-P energy: -82.044 tors. eta vs tors. theta energy: -115.977 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: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1644.307969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.307969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.307969 (E_RNA) where: Base-Base interactions energy: -1113.098 where: short stacking energy: -485.878 Base-Backbone interact. energy: -1.350 local terms energy: -529.859451 where: bonds (distance) C4'-P energy: -93.563 bonds (distance) P-C4' energy: -114.490 flat angles C4'-P-C4' energy: -107.676 flat angles P-C4'-P energy: -78.027 tors. eta vs tors. theta energy: -136.103 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: 8, replica: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1207.767440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.767440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.767440 (E_RNA) where: Base-Base interactions energy: -788.386 where: short stacking energy: -360.582 Base-Backbone interact. energy: 3.573 local terms energy: -422.955087 where: bonds (distance) C4'-P energy: -97.355 bonds (distance) P-C4' energy: -94.673 flat angles C4'-P-C4' energy: -105.142 flat angles P-C4'-P energy: -57.407 tors. eta vs tors. theta energy: -68.378 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: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -977.380951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.380951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.380951 (E_RNA) where: Base-Base interactions energy: -561.960 where: short stacking energy: -286.665 Base-Backbone interact. energy: 3.420 local terms energy: -418.841160 where: bonds (distance) C4'-P energy: -121.389 bonds (distance) P-C4' energy: -95.917 flat angles C4'-P-C4' energy: -108.873 flat angles P-C4'-P energy: -61.313 tors. eta vs tors. theta energy: -31.349 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: 5 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -820.082608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.082608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.082608 (E_RNA) where: Base-Base interactions energy: -455.746 where: short stacking energy: -228.169 Base-Backbone interact. energy: -0.704 local terms energy: -363.632427 where: bonds (distance) C4'-P energy: -106.812 bonds (distance) P-C4' energy: -100.677 flat angles C4'-P-C4' energy: -93.669 flat angles P-C4'-P energy: -49.551 tors. eta vs tors. theta energy: -12.923 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: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2280.381436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.381436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.381436 (E_RNA) where: Base-Base interactions energy: -1619.406 where: short stacking energy: -632.726 Base-Backbone interact. energy: -3.259 local terms energy: -657.717129 where: bonds (distance) C4'-P energy: -115.943 bonds (distance) P-C4' energy: -123.260 flat angles C4'-P-C4' energy: -141.618 flat angles P-C4'-P energy: -100.280 tors. eta vs tors. theta energy: -176.617 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: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2191.537263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.537263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.537263 (E_RNA) where: Base-Base interactions energy: -1526.519 where: short stacking energy: -658.045 Base-Backbone interact. energy: -2.050 local terms energy: -662.967732 where: bonds (distance) C4'-P energy: -110.071 bonds (distance) P-C4' energy: -127.670 flat angles C4'-P-C4' energy: -142.054 flat angles P-C4'-P energy: -101.848 tors. eta vs tors. theta energy: -181.325 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: 3, replica: 7 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2128.610526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.610526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.610526 (E_RNA) where: Base-Base interactions energy: -1481.766 where: short stacking energy: -618.171 Base-Backbone interact. energy: -3.216 local terms energy: -643.628576 where: bonds (distance) C4'-P energy: -121.796 bonds (distance) P-C4' energy: -106.988 flat angles C4'-P-C4' energy: -140.786 flat angles P-C4'-P energy: -85.997 tors. eta vs tors. theta energy: -188.061 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: 4, replica: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1985.201176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.201176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.201176 (E_RNA) where: Base-Base interactions energy: -1371.512 where: short stacking energy: -562.365 Base-Backbone interact. energy: -5.106 local terms energy: -608.583019 where: bonds (distance) C4'-P energy: -117.970 bonds (distance) P-C4' energy: -115.544 flat angles C4'-P-C4' energy: -131.396 flat angles P-C4'-P energy: -88.204 tors. eta vs tors. theta energy: -155.469 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: 5, replica: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1810.881900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.881900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.881900 (E_RNA) where: Base-Base interactions energy: -1262.508 where: short stacking energy: -539.608 Base-Backbone interact. energy: 0.746 local terms energy: -549.120444 where: bonds (distance) C4'-P energy: -105.785 bonds (distance) P-C4' energy: -101.010 flat angles C4'-P-C4' energy: -128.108 flat angles P-C4'-P energy: -66.931 tors. eta vs tors. theta energy: -147.287 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: 6, replica: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1612.375505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.375505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.375505 (E_RNA) where: Base-Base interactions energy: -1078.529 where: short stacking energy: -474.061 Base-Backbone interact. energy: -1.149 local terms energy: -532.697471 where: bonds (distance) C4'-P energy: -106.791 bonds (distance) P-C4' energy: -105.121 flat angles C4'-P-C4' energy: -128.678 flat angles P-C4'-P energy: -73.371 tors. eta vs tors. theta energy: -118.737 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: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1626.604519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.604519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.604519 (E_RNA) where: Base-Base interactions energy: -1087.095 where: short stacking energy: -450.013 Base-Backbone interact. energy: 5.031 local terms energy: -544.540323 where: bonds (distance) C4'-P energy: -109.830 bonds (distance) P-C4' energy: -111.679 flat angles C4'-P-C4' energy: -117.969 flat angles P-C4'-P energy: -78.218 tors. eta vs tors. theta energy: -126.846 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: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1221.642427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.642427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.642427 (E_RNA) where: Base-Base interactions energy: -778.429 where: short stacking energy: -346.576 Base-Backbone interact. energy: 1.469 local terms energy: -444.682909 where: bonds (distance) C4'-P energy: -94.578 bonds (distance) P-C4' energy: -100.496 flat angles C4'-P-C4' energy: -117.808 flat angles P-C4'-P energy: -68.886 tors. eta vs tors. theta energy: -62.915 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: 9, replica: 3 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -944.239056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.239056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.239056 (E_RNA) where: Base-Base interactions energy: -556.820 where: short stacking energy: -259.770 Base-Backbone interact. energy: -2.759 local terms energy: -384.659989 where: bonds (distance) C4'-P energy: -99.944 bonds (distance) P-C4' energy: -100.332 flat angles C4'-P-C4' energy: -92.493 flat angles P-C4'-P energy: -69.665 tors. eta vs tors. theta energy: -22.226 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: 5 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -789.184211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.184211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.184211 (E_RNA) where: Base-Base interactions energy: -440.150 where: short stacking energy: -225.436 Base-Backbone interact. energy: -0.965 local terms energy: -348.069289 where: bonds (distance) C4'-P energy: -84.417 bonds (distance) P-C4' energy: -81.690 flat angles C4'-P-C4' energy: -79.993 flat angles P-C4'-P energy: -64.582 tors. eta vs tors. theta energy: -37.387 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: 1, replica: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2265.617456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.617456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.617456 (E_RNA) where: Base-Base interactions energy: -1602.157 where: short stacking energy: -626.015 Base-Backbone interact. energy: -1.229 local terms energy: -662.231646 where: bonds (distance) C4'-P energy: -131.487 bonds (distance) P-C4' energy: -137.815 flat angles C4'-P-C4' energy: -132.712 flat angles P-C4'-P energy: -87.745 tors. eta vs tors. theta energy: -172.473 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: 2, replica: 10 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2180.816089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.816089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.816089 (E_RNA) where: Base-Base interactions energy: -1531.586 where: short stacking energy: -637.949 Base-Backbone interact. energy: -4.167 local terms energy: -645.063340 where: bonds (distance) C4'-P energy: -118.954 bonds (distance) P-C4' energy: -120.853 flat angles C4'-P-C4' energy: -133.648 flat angles P-C4'-P energy: -83.067 tors. eta vs tors. theta energy: -188.541 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: 3, replica: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2103.284266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.284266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.284266 (E_RNA) where: Base-Base interactions energy: -1442.510 where: short stacking energy: -610.124 Base-Backbone interact. energy: -2.518 local terms energy: -658.256473 where: bonds (distance) C4'-P energy: -127.041 bonds (distance) P-C4' energy: -116.586 flat angles C4'-P-C4' energy: -131.955 flat angles P-C4'-P energy: -89.568 tors. eta vs tors. theta energy: -193.106 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: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1993.207925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.207925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.207925 (E_RNA) where: Base-Base interactions energy: -1400.093 where: short stacking energy: -567.575 Base-Backbone interact. energy: -2.026 local terms energy: -591.088931 where: bonds (distance) C4'-P energy: -111.465 bonds (distance) P-C4' energy: -114.646 flat angles C4'-P-C4' energy: -125.418 flat angles P-C4'-P energy: -87.943 tors. eta vs tors. theta energy: -151.618 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: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1821.191762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.191762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.191762 (E_RNA) where: Base-Base interactions energy: -1234.063 where: short stacking energy: -517.629 Base-Backbone interact. energy: -4.390 local terms energy: -582.738784 where: bonds (distance) C4'-P energy: -116.296 bonds (distance) P-C4' energy: -122.744 flat angles C4'-P-C4' energy: -129.832 flat angles P-C4'-P energy: -71.208 tors. eta vs tors. theta energy: -142.658 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: 6, replica: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1654.274519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.274519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.274519 (E_RNA) where: Base-Base interactions energy: -1121.885 where: short stacking energy: -476.827 Base-Backbone interact. energy: -2.019 local terms energy: -530.371236 where: bonds (distance) C4'-P energy: -103.888 bonds (distance) P-C4' energy: -105.096 flat angles C4'-P-C4' energy: -117.126 flat angles P-C4'-P energy: -79.652 tors. eta vs tors. theta energy: -124.609 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: 7, replica: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1595.528996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.528996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.528996 (E_RNA) where: Base-Base interactions energy: -1055.181 where: short stacking energy: -452.192 Base-Backbone interact. energy: -0.742 local terms energy: -539.605853 where: bonds (distance) C4'-P energy: -105.552 bonds (distance) P-C4' energy: -116.940 flat angles C4'-P-C4' energy: -117.180 flat angles P-C4'-P energy: -82.957 tors. eta vs tors. theta energy: -116.976 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: 8, replica: 2 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1257.328733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.328733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.328733 (E_RNA) where: Base-Base interactions energy: -771.712 where: short stacking energy: -357.096 Base-Backbone interact. energy: 0.753 local terms energy: -486.369760 where: bonds (distance) C4'-P energy: -122.857 bonds (distance) P-C4' energy: -105.578 flat angles C4'-P-C4' energy: -106.272 flat angles P-C4'-P energy: -64.845 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: 9, replica: 3 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -961.886626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.886626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.886626 (E_RNA) where: Base-Base interactions energy: -564.464 where: short stacking energy: -269.372 Base-Backbone interact. energy: 3.074 local terms energy: -400.496824 where: bonds (distance) C4'-P energy: -109.711 bonds (distance) P-C4' energy: -116.944 flat angles C4'-P-C4' energy: -93.605 flat angles P-C4'-P energy: -53.401 tors. eta vs tors. theta energy: -26.836 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: 10, replica: 5 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -751.730623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.730623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.730623 (E_RNA) where: Base-Base interactions energy: -379.739 where: short stacking energy: -188.902 Base-Backbone interact. energy: 0.392 local terms energy: -372.383556 where: bonds (distance) C4'-P energy: -103.266 bonds (distance) P-C4' energy: -100.648 flat angles C4'-P-C4' energy: -92.268 flat angles P-C4'-P energy: -64.806 tors. eta vs tors. theta energy: -11.396 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: 1 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2264.837058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.837058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.837058 (E_RNA) where: Base-Base interactions energy: -1569.873 where: short stacking energy: -636.862 Base-Backbone interact. energy: -2.649 local terms energy: -692.315825 where: bonds (distance) C4'-P energy: -121.502 bonds (distance) P-C4' energy: -133.671 flat angles C4'-P-C4' energy: -159.361 flat angles P-C4'-P energy: -102.137 tors. eta vs tors. theta energy: -175.645 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: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2207.976954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.976954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.976954 (E_RNA) where: Base-Base interactions energy: -1527.630 where: short stacking energy: -650.034 Base-Backbone interact. energy: -2.576 local terms energy: -677.771070 where: bonds (distance) C4'-P energy: -107.128 bonds (distance) P-C4' energy: -120.276 flat angles C4'-P-C4' energy: -155.402 flat angles P-C4'-P energy: -100.607 tors. eta vs tors. theta energy: -194.358 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: 3, replica: 7 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2073.779078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.779078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.779078 (E_RNA) where: Base-Base interactions energy: -1457.078 where: short stacking energy: -605.394 Base-Backbone interact. energy: -2.468 local terms energy: -614.232720 where: bonds (distance) C4'-P energy: -109.493 bonds (distance) P-C4' energy: -97.744 flat angles C4'-P-C4' energy: -130.472 flat angles P-C4'-P energy: -89.183 tors. eta vs tors. theta energy: -187.341 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: 4, replica: 4 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1945.554621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.554621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.554621 (E_RNA) where: Base-Base interactions energy: -1344.309 where: short stacking energy: -567.027 Base-Backbone interact. energy: -4.285 local terms energy: -596.960937 where: bonds (distance) C4'-P energy: -112.618 bonds (distance) P-C4' energy: -103.182 flat angles C4'-P-C4' energy: -128.413 flat angles P-C4'-P energy: -81.018 tors. eta vs tors. theta energy: -171.731 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: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1774.588574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.588574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.588574 (E_RNA) where: Base-Base interactions energy: -1218.955 where: short stacking energy: -512.112 Base-Backbone interact. energy: -2.115 local terms energy: -553.518532 where: bonds (distance) C4'-P energy: -85.021 bonds (distance) P-C4' energy: -114.704 flat angles C4'-P-C4' energy: -134.328 flat angles P-C4'-P energy: -76.679 tors. eta vs tors. theta energy: -142.787 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: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1641.625557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.625557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.625557 (E_RNA) where: Base-Base interactions energy: -1116.657 where: short stacking energy: -478.235 Base-Backbone interact. energy: -3.164 local terms energy: -521.804385 where: bonds (distance) C4'-P energy: -109.743 bonds (distance) P-C4' energy: -112.951 flat angles C4'-P-C4' energy: -97.904 flat angles P-C4'-P energy: -82.437 tors. eta vs tors. theta energy: -118.769 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: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1591.546240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.546240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.546240 (E_RNA) where: Base-Base interactions energy: -1048.896 where: short stacking energy: -460.861 Base-Backbone interact. energy: -2.319 local terms energy: -540.330645 where: bonds (distance) C4'-P energy: -113.968 bonds (distance) P-C4' energy: -112.461 flat angles C4'-P-C4' energy: -111.097 flat angles P-C4'-P energy: -69.512 tors. eta vs tors. theta energy: -133.293 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: 8, replica: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1243.067346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.067346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.067346 (E_RNA) where: Base-Base interactions energy: -835.069 where: short stacking energy: -361.334 Base-Backbone interact. energy: 2.254 local terms energy: -410.252081 where: bonds (distance) C4'-P energy: -94.861 bonds (distance) P-C4' energy: -87.627 flat angles C4'-P-C4' energy: -102.841 flat angles P-C4'-P energy: -57.535 tors. eta vs tors. theta energy: -67.387 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: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1020.973541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.973541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.973541 (E_RNA) where: Base-Base interactions energy: -622.056 where: short stacking energy: -296.260 Base-Backbone interact. energy: -0.451 local terms energy: -398.466786 where: bonds (distance) C4'-P energy: -102.288 bonds (distance) P-C4' energy: -94.967 flat angles C4'-P-C4' energy: -101.508 flat angles P-C4'-P energy: -57.977 tors. eta vs tors. theta energy: -41.726 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: 10, replica: 5 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -834.488992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.488992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.488992 (E_RNA) where: Base-Base interactions energy: -460.740 where: short stacking energy: -219.905 Base-Backbone interact. energy: 1.687 local terms energy: -375.436605 where: bonds (distance) C4'-P energy: -98.702 bonds (distance) P-C4' energy: -95.911 flat angles C4'-P-C4' energy: -98.928 flat angles P-C4'-P energy: -55.581 tors. eta vs tors. theta energy: -26.315 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: 1, replica: 1 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2240.302652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.302652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.302652 (E_RNA) where: Base-Base interactions energy: -1591.845 where: short stacking energy: -624.882 Base-Backbone interact. energy: -3.693 local terms energy: -644.764205 where: bonds (distance) C4'-P energy: -110.270 bonds (distance) P-C4' energy: -132.650 flat angles C4'-P-C4' energy: -143.419 flat angles P-C4'-P energy: -90.378 tors. eta vs tors. theta energy: -168.047 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: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2207.681780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.681780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.681780 (E_RNA) where: Base-Base interactions energy: -1553.938 where: short stacking energy: -663.143 Base-Backbone interact. energy: -3.619 local terms energy: -650.125025 where: bonds (distance) C4'-P energy: -131.284 bonds (distance) P-C4' energy: -111.887 flat angles C4'-P-C4' energy: -128.294 flat angles P-C4'-P energy: -89.793 tors. eta vs tors. theta energy: -188.867 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: 3, replica: 7 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2105.504281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.504281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.504281 (E_RNA) where: Base-Base interactions energy: -1452.393 where: short stacking energy: -620.867 Base-Backbone interact. energy: -2.405 local terms energy: -650.705438 where: bonds (distance) C4'-P energy: -117.412 bonds (distance) P-C4' energy: -119.683 flat angles C4'-P-C4' energy: -130.875 flat angles P-C4'-P energy: -87.412 tors. eta vs tors. theta energy: -195.324 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: 4 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1963.234517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.234517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.234517 (E_RNA) where: Base-Base interactions energy: -1360.852 where: short stacking energy: -569.191 Base-Backbone interact. energy: 2.617 local terms energy: -604.999066 where: bonds (distance) C4'-P energy: -100.891 bonds (distance) P-C4' energy: -135.007 flat angles C4'-P-C4' energy: -123.169 flat angles P-C4'-P energy: -78.491 tors. eta vs tors. theta energy: -167.441 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: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1777.426853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.426853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.426853 (E_RNA) where: Base-Base interactions energy: -1204.331 where: short stacking energy: -492.767 Base-Backbone interact. energy: -1.597 local terms energy: -571.498452 where: bonds (distance) C4'-P energy: -112.849 bonds (distance) P-C4' energy: -124.641 flat angles C4'-P-C4' energy: -125.488 flat angles P-C4'-P energy: -81.825 tors. eta vs tors. theta energy: -126.696 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: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1698.926660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.926660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.926660 (E_RNA) where: Base-Base interactions energy: -1152.350 where: short stacking energy: -465.396 Base-Backbone interact. energy: -1.071 local terms energy: -545.506009 where: bonds (distance) C4'-P energy: -105.348 bonds (distance) P-C4' energy: -104.516 flat angles C4'-P-C4' energy: -121.291 flat angles P-C4'-P energy: -88.712 tors. eta vs tors. theta energy: -125.639 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: 7, replica: 8 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1589.124240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.124240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.124240 (E_RNA) where: Base-Base interactions energy: -1079.802 where: short stacking energy: -468.790 Base-Backbone interact. energy: -4.077 local terms energy: -505.244925 where: bonds (distance) C4'-P energy: -107.696 bonds (distance) P-C4' energy: -85.342 flat angles C4'-P-C4' energy: -119.930 flat angles P-C4'-P energy: -74.811 tors. eta vs tors. theta energy: -117.465 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: 8, replica: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1211.488197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.488197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.488197 (E_RNA) where: Base-Base interactions energy: -780.671 where: short stacking energy: -347.179 Base-Backbone interact. energy: 0.471 local terms energy: -431.288762 where: bonds (distance) C4'-P energy: -99.790 bonds (distance) P-C4' energy: -129.260 flat angles C4'-P-C4' energy: -101.643 flat angles P-C4'-P energy: -49.315 tors. eta vs tors. theta energy: -51.282 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: 9, replica: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -990.999812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.999812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.999812 (E_RNA) where: Base-Base interactions energy: -585.035 where: short stacking energy: -300.151 Base-Backbone interact. energy: -1.408 local terms energy: -404.557794 where: bonds (distance) C4'-P energy: -80.223 bonds (distance) P-C4' energy: -112.972 flat angles C4'-P-C4' energy: -93.375 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: -53.282 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: 10, replica: 5 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -862.798140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.798140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.798140 (E_RNA) where: Base-Base interactions energy: -478.324 where: short stacking energy: -241.344 Base-Backbone interact. energy: -2.360 local terms energy: -382.114352 where: bonds (distance) C4'-P energy: -108.864 bonds (distance) P-C4' energy: -98.708 flat angles C4'-P-C4' energy: -96.620 flat angles P-C4'-P energy: -59.488 tors. eta vs tors. theta energy: -18.434 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: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2238.694031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.694031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.694031 (E_RNA) where: Base-Base interactions energy: -1565.972 where: short stacking energy: -645.316 Base-Backbone interact. energy: -2.135 local terms energy: -670.587079 where: bonds (distance) C4'-P energy: -114.997 bonds (distance) P-C4' energy: -124.026 flat angles C4'-P-C4' energy: -149.838 flat angles P-C4'-P energy: -97.617 tors. eta vs tors. theta energy: -184.109 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: 2, replica: 1 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2216.270540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.270540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.270540 (E_RNA) where: Base-Base interactions energy: -1550.643 where: short stacking energy: -620.178 Base-Backbone interact. energy: -3.774 local terms energy: -661.853091 where: bonds (distance) C4'-P energy: -119.358 bonds (distance) P-C4' energy: -125.614 flat angles C4'-P-C4' energy: -145.263 flat angles P-C4'-P energy: -99.187 tors. eta vs tors. theta energy: -172.431 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: 3, replica: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2110.002685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.002685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.002685 (E_RNA) where: Base-Base interactions energy: -1458.359 where: short stacking energy: -605.956 Base-Backbone interact. energy: -4.438 local terms energy: -647.205480 where: bonds (distance) C4'-P energy: -119.881 bonds (distance) P-C4' energy: -108.726 flat angles C4'-P-C4' energy: -143.599 flat angles P-C4'-P energy: -90.857 tors. eta vs tors. theta energy: -184.144 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: 4, replica: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2021.608363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.608363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.608363 (E_RNA) where: Base-Base interactions energy: -1402.846 where: short stacking energy: -612.191 Base-Backbone interact. energy: 4.892 local terms energy: -623.655213 where: bonds (distance) C4'-P energy: -113.347 bonds (distance) P-C4' energy: -109.312 flat angles C4'-P-C4' energy: -148.936 flat angles P-C4'-P energy: -87.842 tors. eta vs tors. theta energy: -164.219 Dist. restrs. and SS energy: 0.000 (S_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: 398 Temperature: 1.100000 Total energy: -1797.484623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.484623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.484623 (E_RNA) where: Base-Base interactions energy: -1222.721 where: short stacking energy: -533.551 Base-Backbone interact. energy: 0.186 local terms energy: -574.949869 where: bonds (distance) C4'-P energy: -101.159 bonds (distance) P-C4' energy: -120.757 flat angles C4'-P-C4' energy: -123.906 flat angles P-C4'-P energy: -92.368 tors. eta vs tors. theta energy: -136.759 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: 6, replica: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1688.144439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.144439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.144439 (E_RNA) where: Base-Base interactions energy: -1148.609 where: short stacking energy: -452.024 Base-Backbone interact. energy: -3.210 local terms energy: -536.325267 where: bonds (distance) C4'-P energy: -103.121 bonds (distance) P-C4' energy: -105.850 flat angles C4'-P-C4' energy: -133.980 flat angles P-C4'-P energy: -69.782 tors. eta vs tors. theta energy: -123.592 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: 7, replica: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1587.077264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.077264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.077264 (E_RNA) where: Base-Base interactions energy: -1066.260 where: short stacking energy: -435.410 Base-Backbone interact. energy: -0.120 local terms energy: -520.697156 where: bonds (distance) C4'-P energy: -104.788 bonds (distance) P-C4' energy: -119.748 flat angles C4'-P-C4' energy: -107.562 flat angles P-C4'-P energy: -67.008 tors. eta vs tors. theta energy: -121.592 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: 8, replica: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1220.350273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.350273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.350273 (E_RNA) where: Base-Base interactions energy: -776.978 where: short stacking energy: -358.600 Base-Backbone interact. energy: 6.104 local terms energy: -449.476141 where: bonds (distance) C4'-P energy: -95.733 bonds (distance) P-C4' energy: -101.383 flat angles C4'-P-C4' energy: -121.202 flat angles P-C4'-P energy: -64.359 tors. eta vs tors. theta energy: -66.798 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: 9, replica: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -963.952710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.952710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.952710 (E_RNA) where: Base-Base interactions energy: -598.271 where: short stacking energy: -281.424 Base-Backbone interact. energy: 4.707 local terms energy: -370.388743 where: bonds (distance) C4'-P energy: -88.346 bonds (distance) P-C4' energy: -97.875 flat angles C4'-P-C4' energy: -94.564 flat angles P-C4'-P energy: -54.812 tors. eta vs tors. theta energy: -34.793 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: 10, replica: 5 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -926.791621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.791621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.791621 (E_RNA) where: Base-Base interactions energy: -527.376 where: short stacking energy: -272.683 Base-Backbone interact. energy: -2.050 local terms energy: -397.365107 where: bonds (distance) C4'-P energy: -110.762 bonds (distance) P-C4' energy: -103.195 flat angles C4'-P-C4' energy: -86.618 flat angles P-C4'-P energy: -56.486 tors. eta vs tors. theta energy: -40.303 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: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2289.089473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.089473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.089473 (E_RNA) where: Base-Base interactions energy: -1587.676 where: short stacking energy: -664.272 Base-Backbone interact. energy: -1.806 local terms energy: -699.607155 where: bonds (distance) C4'-P energy: -123.030 bonds (distance) P-C4' energy: -126.615 flat angles C4'-P-C4' energy: -151.955 flat angles P-C4'-P energy: -96.922 tors. eta vs tors. theta energy: -201.085 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: 2, replica: 1 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2197.041502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.041502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.041502 (E_RNA) where: Base-Base interactions energy: -1539.892 where: short stacking energy: -616.469 Base-Backbone interact. energy: -1.689 local terms energy: -655.460594 where: bonds (distance) C4'-P energy: -128.743 bonds (distance) P-C4' energy: -111.215 flat angles C4'-P-C4' energy: -147.983 flat angles P-C4'-P energy: -90.326 tors. eta vs tors. theta energy: -177.194 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: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2078.687015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.687015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.687015 (E_RNA) where: Base-Base interactions energy: -1450.638 where: short stacking energy: -614.941 Base-Backbone interact. energy: -4.906 local terms energy: -623.142757 where: bonds (distance) C4'-P energy: -106.958 bonds (distance) P-C4' energy: -108.798 flat angles C4'-P-C4' energy: -137.716 flat angles P-C4'-P energy: -85.138 tors. eta vs tors. theta energy: -184.532 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: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1995.598006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.598006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.598006 (E_RNA) where: Base-Base interactions energy: -1359.740 where: short stacking energy: -581.056 Base-Backbone interact. energy: -3.146 local terms energy: -632.712654 where: bonds (distance) C4'-P energy: -119.107 bonds (distance) P-C4' energy: -119.770 flat angles C4'-P-C4' energy: -132.320 flat angles P-C4'-P energy: -91.318 tors. eta vs tors. theta energy: -170.198 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: 5, replica: 6 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1781.886472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.886472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.886472 (E_RNA) where: Base-Base interactions energy: -1227.591 where: short stacking energy: -516.979 Base-Backbone interact. energy: -1.533 local terms energy: -552.762916 where: bonds (distance) C4'-P energy: -114.244 bonds (distance) P-C4' energy: -112.840 flat angles C4'-P-C4' energy: -123.457 flat angles P-C4'-P energy: -75.570 tors. eta vs tors. theta energy: -126.651 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: 6, replica: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1688.278041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.278041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.278041 (E_RNA) where: Base-Base interactions energy: -1124.925 where: short stacking energy: -488.100 Base-Backbone interact. energy: -0.219 local terms energy: -563.134131 where: bonds (distance) C4'-P energy: -121.576 bonds (distance) P-C4' energy: -100.141 flat angles C4'-P-C4' energy: -118.556 flat angles P-C4'-P energy: -85.874 tors. eta vs tors. theta energy: -136.987 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: 8 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1535.937252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.937252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.937252 (E_RNA) where: Base-Base interactions energy: -1024.805 where: short stacking energy: -447.584 Base-Backbone interact. energy: -2.227 local terms energy: -508.905266 where: bonds (distance) C4'-P energy: -93.547 bonds (distance) P-C4' energy: -107.783 flat angles C4'-P-C4' energy: -129.818 flat angles P-C4'-P energy: -75.442 tors. eta vs tors. theta energy: -102.315 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: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1215.806809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.806809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.806809 (E_RNA) where: Base-Base interactions energy: -771.162 where: short stacking energy: -348.255 Base-Backbone interact. energy: -3.231 local terms energy: -441.413350 where: bonds (distance) C4'-P energy: -80.676 bonds (distance) P-C4' energy: -116.123 flat angles C4'-P-C4' energy: -105.338 flat angles P-C4'-P energy: -67.079 tors. eta vs tors. theta energy: -72.198 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: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -983.288503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.288503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.288503 (E_RNA) where: Base-Base interactions energy: -597.681 where: short stacking energy: -274.945 Base-Backbone interact. energy: 1.048 local terms energy: -386.655948 where: bonds (distance) C4'-P energy: -93.243 bonds (distance) P-C4' energy: -90.895 flat angles C4'-P-C4' energy: -90.832 flat angles P-C4'-P energy: -68.240 tors. eta vs tors. theta energy: -43.446 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: 10, replica: 5 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -863.993870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.993870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.993870 (E_RNA) where: Base-Base interactions energy: -504.503 where: short stacking energy: -237.576 Base-Backbone interact. energy: 2.771 local terms energy: -362.261776 where: bonds (distance) C4'-P energy: -91.496 bonds (distance) P-C4' energy: -112.949 flat angles C4'-P-C4' energy: -86.164 flat angles P-C4'-P energy: -52.896 tors. eta vs tors. theta energy: -18.757 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: 1, replica: 10 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2294.727669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.727669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.727669 (E_RNA) where: Base-Base interactions energy: -1605.423 where: short stacking energy: -664.084 Base-Backbone interact. energy: -2.454 local terms energy: -686.850464 where: bonds (distance) C4'-P energy: -120.210 bonds (distance) P-C4' energy: -118.651 flat angles C4'-P-C4' energy: -144.660 flat angles P-C4'-P energy: -96.594 tors. eta vs tors. theta energy: -206.735 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: 2, replica: 1 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2230.735451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.735451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.735451 (E_RNA) where: Base-Base interactions energy: -1556.989 where: short stacking energy: -647.719 Base-Backbone interact. energy: -0.362 local terms energy: -673.384853 where: bonds (distance) C4'-P energy: -129.228 bonds (distance) P-C4' energy: -134.678 flat angles C4'-P-C4' energy: -141.430 flat angles P-C4'-P energy: -94.109 tors. eta vs tors. theta energy: -173.939 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: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2013.963169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.963169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.963169 (E_RNA) where: Base-Base interactions energy: -1385.345 where: short stacking energy: -575.687 Base-Backbone interact. energy: -1.813 local terms energy: -626.805671 where: bonds (distance) C4'-P energy: -107.908 bonds (distance) P-C4' energy: -119.720 flat angles C4'-P-C4' energy: -139.373 flat angles P-C4'-P energy: -96.483 tors. eta vs tors. theta energy: -163.321 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: 4, replica: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1998.322327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.322327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.322327 (E_RNA) where: Base-Base interactions energy: -1386.827 where: short stacking energy: -575.517 Base-Backbone interact. energy: 0.950 local terms energy: -612.445298 where: bonds (distance) C4'-P energy: -115.660 bonds (distance) P-C4' energy: -121.432 flat angles C4'-P-C4' energy: -120.014 flat angles P-C4'-P energy: -92.538 tors. eta vs tors. theta energy: -162.802 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: 5, replica: 6 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1849.345178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.345178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.345178 (E_RNA) where: Base-Base interactions energy: -1262.180 where: short stacking energy: -512.335 Base-Backbone interact. energy: -1.155 local terms energy: -586.009962 where: bonds (distance) C4'-P energy: -98.964 bonds (distance) P-C4' energy: -116.379 flat angles C4'-P-C4' energy: -136.540 flat angles P-C4'-P energy: -92.920 tors. eta vs tors. theta energy: -141.207 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: 6, replica: 9 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1668.491867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.491867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.491867 (E_RNA) where: Base-Base interactions energy: -1128.752 where: short stacking energy: -460.908 Base-Backbone interact. energy: -1.755 local terms energy: -537.984916 where: bonds (distance) C4'-P energy: -101.025 bonds (distance) P-C4' energy: -105.500 flat angles C4'-P-C4' energy: -118.019 flat angles P-C4'-P energy: -77.978 tors. eta vs tors. theta energy: -135.463 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: 7, replica: 8 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1604.705076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.705076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.705076 (E_RNA) where: Base-Base interactions energy: -1091.938 where: short stacking energy: -455.841 Base-Backbone interact. energy: 1.142 local terms energy: -513.909055 where: bonds (distance) C4'-P energy: -84.681 bonds (distance) P-C4' energy: -120.333 flat angles C4'-P-C4' energy: -124.749 flat angles P-C4'-P energy: -68.357 tors. eta vs tors. theta energy: -115.790 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: 8, replica: 2 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1228.063262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.063262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.063262 (E_RNA) where: Base-Base interactions energy: -788.604 where: short stacking energy: -368.890 Base-Backbone interact. energy: -1.714 local terms energy: -437.745236 where: bonds (distance) C4'-P energy: -93.975 bonds (distance) P-C4' energy: -82.585 flat angles C4'-P-C4' energy: -106.841 flat angles P-C4'-P energy: -75.865 tors. eta vs tors. theta energy: -78.479 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: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -963.914005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.914005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.914005 (E_RNA) where: Base-Base interactions energy: -602.251 where: short stacking energy: -284.000 Base-Backbone interact. energy: -2.057 local terms energy: -359.605505 where: bonds (distance) C4'-P energy: -82.140 bonds (distance) P-C4' energy: -100.912 flat angles C4'-P-C4' energy: -85.183 flat angles P-C4'-P energy: -55.897 tors. eta vs tors. theta energy: -35.473 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: 10, replica: 5 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -868.697464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.697464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.697464 (E_RNA) where: Base-Base interactions energy: -487.301 where: short stacking energy: -235.203 Base-Backbone interact. energy: 4.611 local terms energy: -386.007979 where: bonds (distance) C4'-P energy: -100.775 bonds (distance) P-C4' energy: -103.525 flat angles C4'-P-C4' energy: -88.634 flat angles P-C4'-P energy: -68.244 tors. eta vs tors. theta energy: -24.829 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: 1, replica: 10 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2280.665946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.665946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.665946 (E_RNA) where: Base-Base interactions energy: -1608.791 where: short stacking energy: -669.552 Base-Backbone interact. energy: -1.835 local terms energy: -670.039846 where: bonds (distance) C4'-P energy: -121.283 bonds (distance) P-C4' energy: -131.756 flat angles C4'-P-C4' energy: -132.810 flat angles P-C4'-P energy: -79.186 tors. eta vs tors. theta energy: -205.004 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: 2, replica: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2217.653667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.653667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.653667 (E_RNA) where: Base-Base interactions energy: -1574.603 where: short stacking energy: -640.715 Base-Backbone interact. energy: -4.299 local terms energy: -638.752561 where: bonds (distance) C4'-P energy: -103.618 bonds (distance) P-C4' energy: -117.087 flat angles C4'-P-C4' energy: -148.071 flat angles P-C4'-P energy: -92.046 tors. eta vs tors. theta energy: -177.930 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: 3, replica: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2048.952061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.952061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.952061 (E_RNA) where: Base-Base interactions energy: -1410.735 where: short stacking energy: -578.630 Base-Backbone interact. energy: -2.237 local terms energy: -635.980565 where: bonds (distance) C4'-P energy: -113.143 bonds (distance) P-C4' energy: -128.219 flat angles C4'-P-C4' energy: -128.429 flat angles P-C4'-P energy: -93.170 tors. eta vs tors. theta energy: -173.019 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: 4, replica: 7 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2026.556131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.556131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.556131 (E_RNA) where: Base-Base interactions energy: -1405.564 where: short stacking energy: -597.229 Base-Backbone interact. energy: -3.091 local terms energy: -617.901231 where: bonds (distance) C4'-P energy: -101.209 bonds (distance) P-C4' energy: -116.648 flat angles C4'-P-C4' energy: -139.611 flat angles P-C4'-P energy: -74.019 tors. eta vs tors. theta energy: -186.414 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: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1845.875279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.875279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.875279 (E_RNA) where: Base-Base interactions energy: -1271.209 where: short stacking energy: -542.081 Base-Backbone interact. energy: -1.862 local terms energy: -572.804618 where: bonds (distance) C4'-P energy: -101.340 bonds (distance) P-C4' energy: -130.357 flat angles C4'-P-C4' energy: -115.876 flat angles P-C4'-P energy: -71.186 tors. eta vs tors. theta energy: -154.045 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: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1668.208821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.208821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.208821 (E_RNA) where: Base-Base interactions energy: -1113.249 where: short stacking energy: -478.589 Base-Backbone interact. energy: -1.747 local terms energy: -553.212611 where: bonds (distance) C4'-P energy: -127.533 bonds (distance) P-C4' energy: -106.095 flat angles C4'-P-C4' energy: -108.722 flat angles P-C4'-P energy: -76.796 tors. eta vs tors. theta energy: -134.067 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: 7, replica: 9 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1608.295001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.295001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.295001 (E_RNA) where: Base-Base interactions energy: -1080.892 where: short stacking energy: -435.980 Base-Backbone interact. energy: 1.074 local terms energy: -528.476679 where: bonds (distance) C4'-P energy: -104.626 bonds (distance) P-C4' energy: -96.197 flat angles C4'-P-C4' energy: -108.607 flat angles P-C4'-P energy: -91.593 tors. eta vs tors. theta energy: -127.454 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: 8, replica: 2 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1157.201782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.201782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.201782 (E_RNA) where: Base-Base interactions energy: -700.328 where: short stacking energy: -315.640 Base-Backbone interact. energy: -0.462 local terms energy: -456.411493 where: bonds (distance) C4'-P energy: -101.152 bonds (distance) P-C4' energy: -101.012 flat angles C4'-P-C4' energy: -115.052 flat angles P-C4'-P energy: -76.021 tors. eta vs tors. theta energy: -63.175 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: 9, replica: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -993.322140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.322140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.322140 (E_RNA) where: Base-Base interactions energy: -566.301 where: short stacking energy: -260.243 Base-Backbone interact. energy: 2.523 local terms energy: -429.544613 where: bonds (distance) C4'-P energy: -91.314 bonds (distance) P-C4' energy: -113.406 flat angles C4'-P-C4' energy: -115.968 flat angles P-C4'-P energy: -57.508 tors. eta vs tors. theta energy: -51.349 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: 5 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -928.108797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.108797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.108797 (E_RNA) where: Base-Base interactions energy: -538.574 where: short stacking energy: -261.240 Base-Backbone interact. energy: -0.472 local terms energy: -389.062064 where: bonds (distance) C4'-P energy: -94.563 bonds (distance) P-C4' energy: -102.557 flat angles C4'-P-C4' energy: -89.832 flat angles P-C4'-P energy: -62.192 tors. eta vs tors. theta energy: -39.917 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: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2264.208349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.208349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.208349 (E_RNA) where: Base-Base interactions energy: -1579.644 where: short stacking energy: -609.002 Base-Backbone interact. energy: -4.149 local terms energy: -680.414973 where: bonds (distance) C4'-P energy: -122.763 bonds (distance) P-C4' energy: -132.726 flat angles C4'-P-C4' energy: -150.891 flat angles P-C4'-P energy: -96.330 tors. eta vs tors. theta energy: -177.705 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: 2, replica: 10 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2250.995833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.995833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.995833 (E_RNA) where: Base-Base interactions energy: -1556.440 where: short stacking energy: -639.450 Base-Backbone interact. energy: -3.633 local terms energy: -690.922938 where: bonds (distance) C4'-P energy: -112.486 bonds (distance) P-C4' energy: -137.619 flat angles C4'-P-C4' energy: -149.369 flat angles P-C4'-P energy: -99.606 tors. eta vs tors. theta energy: -191.843 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: 3, replica: 7 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2080.123435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.123435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.123435 (E_RNA) where: Base-Base interactions energy: -1422.561 where: short stacking energy: -627.267 Base-Backbone interact. energy: -1.454 local terms energy: -656.108905 where: bonds (distance) C4'-P energy: -111.202 bonds (distance) P-C4' energy: -128.534 flat angles C4'-P-C4' energy: -139.144 flat angles P-C4'-P energy: -80.420 tors. eta vs tors. theta energy: -196.808 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: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1962.243155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.243155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.243155 (E_RNA) where: Base-Base interactions energy: -1359.595 where: short stacking energy: -575.793 Base-Backbone interact. energy: -2.114 local terms energy: -600.533620 where: bonds (distance) C4'-P energy: -98.261 bonds (distance) P-C4' energy: -123.387 flat angles C4'-P-C4' energy: -131.979 flat angles P-C4'-P energy: -83.882 tors. eta vs tors. theta energy: -163.026 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: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1885.656439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.656439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.656439 (E_RNA) where: Base-Base interactions energy: -1289.310 where: short stacking energy: -529.742 Base-Backbone interact. energy: -3.108 local terms energy: -593.238622 where: bonds (distance) C4'-P energy: -98.107 bonds (distance) P-C4' energy: -132.532 flat angles C4'-P-C4' energy: -123.797 flat angles P-C4'-P energy: -83.340 tors. eta vs tors. theta energy: -155.464 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: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1702.855264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.855264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.855264 (E_RNA) where: Base-Base interactions energy: -1152.588 where: short stacking energy: -494.773 Base-Backbone interact. energy: -3.662 local terms energy: -546.604738 where: bonds (distance) C4'-P energy: -111.631 bonds (distance) P-C4' energy: -106.163 flat angles C4'-P-C4' energy: -126.872 flat angles P-C4'-P energy: -62.315 tors. eta vs tors. theta energy: -139.625 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: 9 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1600.998432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.998432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.998432 (E_RNA) where: Base-Base interactions energy: -1077.566 where: short stacking energy: -475.904 Base-Backbone interact. energy: -0.428 local terms energy: -523.004190 where: bonds (distance) C4'-P energy: -103.033 bonds (distance) P-C4' energy: -109.421 flat angles C4'-P-C4' energy: -111.205 flat angles P-C4'-P energy: -64.312 tors. eta vs tors. theta energy: -135.035 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: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1093.933810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.933810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.933810 (E_RNA) where: Base-Base interactions energy: -704.655 where: short stacking energy: -315.685 Base-Backbone interact. energy: 0.644 local terms energy: -389.922632 where: bonds (distance) C4'-P energy: -93.741 bonds (distance) P-C4' energy: -111.006 flat angles C4'-P-C4' energy: -94.874 flat angles P-C4'-P energy: -48.858 tors. eta vs tors. theta energy: -41.444 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: 9, replica: 3 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -950.033980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.033980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.033980 (E_RNA) where: Base-Base interactions energy: -576.413 where: short stacking energy: -297.409 Base-Backbone interact. energy: -1.132 local terms energy: -372.488585 where: bonds (distance) C4'-P energy: -94.713 bonds (distance) P-C4' energy: -74.341 flat angles C4'-P-C4' energy: -98.581 flat angles P-C4'-P energy: -62.566 tors. eta vs tors. theta energy: -42.288 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: 10, replica: 5 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -887.168656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.168656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.168656 (E_RNA) where: Base-Base interactions energy: -526.304 where: short stacking energy: -235.981 Base-Backbone interact. energy: 6.111 local terms energy: -366.976032 where: bonds (distance) C4'-P energy: -105.374 bonds (distance) P-C4' energy: -104.261 flat angles C4'-P-C4' energy: -96.249 flat angles P-C4'-P energy: -48.352 tors. eta vs tors. theta energy: -12.740 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: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2245.824220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.824220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.824220 (E_RNA) where: Base-Base interactions energy: -1602.849 where: short stacking energy: -608.166 Base-Backbone interact. energy: 1.698 local terms energy: -644.673454 where: bonds (distance) C4'-P energy: -125.206 bonds (distance) P-C4' energy: -111.090 flat angles C4'-P-C4' energy: -138.293 flat angles P-C4'-P energy: -90.430 tors. eta vs tors. theta energy: -179.654 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: 403 Temperature: 0.950000 Total energy: -2248.173511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.173511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.173511 (E_RNA) where: Base-Base interactions energy: -1564.221 where: short stacking energy: -654.943 Base-Backbone interact. energy: -0.403 local terms energy: -683.549387 where: bonds (distance) C4'-P energy: -113.781 bonds (distance) P-C4' energy: -127.684 flat angles C4'-P-C4' energy: -148.925 flat angles P-C4'-P energy: -98.143 tors. eta vs tors. theta energy: -195.016 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: 3, replica: 7 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2066.368273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.368273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.368273 (E_RNA) where: Base-Base interactions energy: -1404.339 where: short stacking energy: -598.840 Base-Backbone interact. energy: -2.213 local terms energy: -659.816336 where: bonds (distance) C4'-P energy: -117.646 bonds (distance) P-C4' energy: -131.256 flat angles C4'-P-C4' energy: -132.431 flat angles P-C4'-P energy: -94.149 tors. eta vs tors. theta energy: -184.334 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: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1967.058637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.058637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.058637 (E_RNA) where: Base-Base interactions energy: -1371.814 where: short stacking energy: -564.704 Base-Backbone interact. energy: -2.771 local terms energy: -592.473056 where: bonds (distance) C4'-P energy: -111.592 bonds (distance) P-C4' energy: -96.075 flat angles C4'-P-C4' energy: -133.662 flat angles P-C4'-P energy: -85.205 tors. eta vs tors. theta energy: -165.940 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: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1882.747190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.747190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.747190 (E_RNA) where: Base-Base interactions energy: -1291.567 where: short stacking energy: -533.604 Base-Backbone interact. energy: -3.626 local terms energy: -587.554592 where: bonds (distance) C4'-P energy: -96.988 bonds (distance) P-C4' energy: -126.669 flat angles C4'-P-C4' energy: -132.585 flat angles P-C4'-P energy: -82.591 tors. eta vs tors. theta energy: -148.721 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: 6, replica: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1622.545906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.545906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.545906 (E_RNA) where: Base-Base interactions energy: -1094.423 where: short stacking energy: -487.099 Base-Backbone interact. energy: -1.852 local terms energy: -526.270252 where: bonds (distance) C4'-P energy: -107.168 bonds (distance) P-C4' energy: -95.475 flat angles C4'-P-C4' energy: -121.541 flat angles P-C4'-P energy: -80.418 tors. eta vs tors. theta energy: -121.669 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: 7, replica: 8 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1632.621490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.621490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.621490 (E_RNA) where: Base-Base interactions energy: -1134.183 where: short stacking energy: -465.377 Base-Backbone interact. energy: -0.906 local terms energy: -497.532878 where: bonds (distance) C4'-P energy: -80.798 bonds (distance) P-C4' energy: -97.474 flat angles C4'-P-C4' energy: -116.874 flat angles P-C4'-P energy: -81.753 tors. eta vs tors. theta energy: -120.635 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: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1067.092197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.092197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.092197 (E_RNA) where: Base-Base interactions energy: -679.135 where: short stacking energy: -310.837 Base-Backbone interact. energy: 3.073 local terms energy: -391.029505 where: bonds (distance) C4'-P energy: -95.556 bonds (distance) P-C4' energy: -86.739 flat angles C4'-P-C4' energy: -109.559 flat angles P-C4'-P energy: -64.736 tors. eta vs tors. theta energy: -34.439 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: 9, replica: 3 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -995.250858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.250858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.250858 (E_RNA) where: Base-Base interactions energy: -562.790 where: short stacking energy: -275.129 Base-Backbone interact. energy: 3.503 local terms energy: -435.964076 where: bonds (distance) C4'-P energy: -111.641 bonds (distance) P-C4' energy: -95.516 flat angles C4'-P-C4' energy: -107.256 flat angles P-C4'-P energy: -73.656 tors. eta vs tors. theta energy: -47.895 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: 10, replica: 5 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -921.987192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.987192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.987192 (E_RNA) where: Base-Base interactions energy: -541.452 where: short stacking energy: -272.917 Base-Backbone interact. energy: -0.625 local terms energy: -379.910181 where: bonds (distance) C4'-P energy: -94.407 bonds (distance) P-C4' energy: -96.863 flat angles C4'-P-C4' energy: -87.403 flat angles P-C4'-P energy: -76.134 tors. eta vs tors. theta energy: -25.103 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: 1, replica: 1 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2257.260023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.260023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.260023 (E_RNA) where: Base-Base interactions energy: -1594.576 where: short stacking energy: -628.230 Base-Backbone interact. energy: -4.137 local terms energy: -658.547670 where: bonds (distance) C4'-P energy: -120.967 bonds (distance) P-C4' energy: -118.767 flat angles C4'-P-C4' energy: -140.720 flat angles P-C4'-P energy: -91.274 tors. eta vs tors. theta energy: -186.819 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: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2203.328419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.328419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.328419 (E_RNA) where: Base-Base interactions energy: -1569.880 where: short stacking energy: -658.078 Base-Backbone interact. energy: -0.866 local terms energy: -632.582969 where: bonds (distance) C4'-P energy: -81.332 bonds (distance) P-C4' energy: -117.573 flat angles C4'-P-C4' energy: -149.139 flat angles P-C4'-P energy: -90.855 tors. eta vs tors. theta energy: -193.684 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: 3, replica: 7 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2086.408037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.408037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.408037 (E_RNA) where: Base-Base interactions energy: -1439.696 where: short stacking energy: -609.996 Base-Backbone interact. energy: -1.723 local terms energy: -644.988957 where: bonds (distance) C4'-P energy: -115.133 bonds (distance) P-C4' energy: -115.842 flat angles C4'-P-C4' energy: -131.010 flat angles P-C4'-P energy: -92.686 tors. eta vs tors. theta energy: -190.318 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: 4, replica: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1949.202672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.202672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.202672 (E_RNA) where: Base-Base interactions energy: -1338.404 where: short stacking energy: -567.734 Base-Backbone interact. energy: -3.024 local terms energy: -607.775006 where: bonds (distance) C4'-P energy: -106.203 bonds (distance) P-C4' energy: -122.847 flat angles C4'-P-C4' energy: -134.685 flat angles P-C4'-P energy: -82.252 tors. eta vs tors. theta energy: -161.789 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: 5, replica: 6 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1912.971866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.971866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.971866 (E_RNA) where: Base-Base interactions energy: -1300.797 where: short stacking energy: -531.278 Base-Backbone interact. energy: -1.909 local terms energy: -610.265326 where: bonds (distance) C4'-P energy: -114.629 bonds (distance) P-C4' energy: -111.927 flat angles C4'-P-C4' energy: -130.969 flat angles P-C4'-P energy: -94.465 tors. eta vs tors. theta energy: -158.274 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: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1646.168872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.168872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.168872 (E_RNA) where: Base-Base interactions energy: -1111.804 where: short stacking energy: -485.175 Base-Backbone interact. energy: -0.180 local terms energy: -534.184103 where: bonds (distance) C4'-P energy: -98.887 bonds (distance) P-C4' energy: -97.201 flat angles C4'-P-C4' energy: -132.148 flat angles P-C4'-P energy: -71.120 tors. eta vs tors. theta energy: -134.828 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: 7, replica: 8 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1572.010291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.010291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.010291 (E_RNA) where: Base-Base interactions energy: -1066.099 where: short stacking energy: -435.446 Base-Backbone interact. energy: -0.505 local terms energy: -505.405543 where: bonds (distance) C4'-P energy: -105.116 bonds (distance) P-C4' energy: -97.336 flat angles C4'-P-C4' energy: -119.132 flat angles P-C4'-P energy: -69.062 tors. eta vs tors. theta energy: -114.761 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: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1146.835278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.835278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.835278 (E_RNA) where: Base-Base interactions energy: -715.481 where: short stacking energy: -317.953 Base-Backbone interact. energy: -2.660 local terms energy: -428.693819 where: bonds (distance) C4'-P energy: -107.762 bonds (distance) P-C4' energy: -112.052 flat angles C4'-P-C4' energy: -112.213 flat angles P-C4'-P energy: -50.180 tors. eta vs tors. theta energy: -46.487 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: 5 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -933.350118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.350118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.350118 (E_RNA) where: Base-Base interactions energy: -516.601 where: short stacking energy: -258.768 Base-Backbone interact. energy: 2.597 local terms energy: -419.346115 where: bonds (distance) C4'-P energy: -106.971 bonds (distance) P-C4' energy: -108.078 flat angles C4'-P-C4' energy: -100.450 flat angles P-C4'-P energy: -68.921 tors. eta vs tors. theta energy: -34.927 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: 10, replica: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -899.347484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.347484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.347484 (E_RNA) where: Base-Base interactions energy: -518.912 where: short stacking energy: -253.935 Base-Backbone interact. energy: -1.940 local terms energy: -378.495223 where: bonds (distance) C4'-P energy: -94.402 bonds (distance) P-C4' energy: -119.297 flat angles C4'-P-C4' energy: -85.889 flat angles P-C4'-P energy: -58.392 tors. eta vs tors. theta energy: -20.515 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: 1, replica: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2253.065180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.065180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.065180 (E_RNA) where: Base-Base interactions energy: -1567.392 where: short stacking energy: -625.028 Base-Backbone interact. energy: -5.839 local terms energy: -679.834113 where: bonds (distance) C4'-P energy: -132.659 bonds (distance) P-C4' energy: -123.526 flat angles C4'-P-C4' energy: -144.051 flat angles P-C4'-P energy: -104.234 tors. eta vs tors. theta energy: -175.364 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: 405 Temperature: 0.950000 Total energy: -2202.208141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.208141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.208141 (E_RNA) where: Base-Base interactions energy: -1553.457 where: short stacking energy: -636.508 Base-Backbone interact. energy: 2.505 local terms energy: -651.256065 where: bonds (distance) C4'-P energy: -103.371 bonds (distance) P-C4' energy: -122.696 flat angles C4'-P-C4' energy: -143.816 flat angles P-C4'-P energy: -84.012 tors. eta vs tors. theta energy: -197.361 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: 3, replica: 7 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2109.755680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.755680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.755680 (E_RNA) where: Base-Base interactions energy: -1436.605 where: short stacking energy: -612.719 Base-Backbone interact. energy: 0.822 local terms energy: -673.973112 where: bonds (distance) C4'-P energy: -124.574 bonds (distance) P-C4' energy: -134.735 flat angles C4'-P-C4' energy: -137.418 flat angles P-C4'-P energy: -103.072 tors. eta vs tors. theta energy: -174.174 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: 4, replica: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1971.584432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.584432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.584432 (E_RNA) where: Base-Base interactions energy: -1339.867 where: short stacking energy: -538.176 Base-Backbone interact. energy: -1.052 local terms energy: -630.664958 where: bonds (distance) C4'-P energy: -119.998 bonds (distance) P-C4' energy: -127.561 flat angles C4'-P-C4' energy: -138.362 flat angles P-C4'-P energy: -96.598 tors. eta vs tors. theta energy: -148.147 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: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1882.786831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.786831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.786831 (E_RNA) where: Base-Base interactions energy: -1318.935 where: short stacking energy: -550.221 Base-Backbone interact. energy: 3.204 local terms energy: -567.055790 where: bonds (distance) C4'-P energy: -100.747 bonds (distance) P-C4' energy: -117.528 flat angles C4'-P-C4' energy: -122.088 flat angles P-C4'-P energy: -75.697 tors. eta vs tors. theta energy: -150.996 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: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1712.517874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.517874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.517874 (E_RNA) where: Base-Base interactions energy: -1150.466 where: short stacking energy: -508.696 Base-Backbone interact. energy: -3.184 local terms energy: -558.867924 where: bonds (distance) C4'-P energy: -105.983 bonds (distance) P-C4' energy: -109.293 flat angles C4'-P-C4' energy: -118.806 flat angles P-C4'-P energy: -80.751 tors. eta vs tors. theta energy: -144.035 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: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1688.791206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.791206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.791206 (E_RNA) where: Base-Base interactions energy: -1155.813 where: short stacking energy: -516.299 Base-Backbone interact. energy: -1.545 local terms energy: -531.433469 where: bonds (distance) C4'-P energy: -84.667 bonds (distance) P-C4' energy: -115.854 flat angles C4'-P-C4' energy: -115.343 flat angles P-C4'-P energy: -68.203 tors. eta vs tors. theta energy: -147.366 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: 8, replica: 2 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1149.838273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.838273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.838273 (E_RNA) where: Base-Base interactions energy: -703.945 where: short stacking energy: -314.689 Base-Backbone interact. energy: -0.148 local terms energy: -445.745302 where: bonds (distance) C4'-P energy: -100.364 bonds (distance) P-C4' energy: -107.001 flat angles C4'-P-C4' energy: -114.995 flat angles P-C4'-P energy: -60.606 tors. eta vs tors. theta energy: -62.779 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: 9, replica: 5 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -956.855661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.855661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.855661 (E_RNA) where: Base-Base interactions energy: -558.954 where: short stacking energy: -299.082 Base-Backbone interact. energy: -0.669 local terms energy: -397.233103 where: bonds (distance) C4'-P energy: -109.393 bonds (distance) P-C4' energy: -92.674 flat angles C4'-P-C4' energy: -107.184 flat angles P-C4'-P energy: -36.336 tors. eta vs tors. theta energy: -51.646 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: 10, replica: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -909.339430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.339430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.339430 (E_RNA) where: Base-Base interactions energy: -543.912 where: short stacking energy: -246.329 Base-Backbone interact. energy: -0.569 local terms energy: -364.858151 where: bonds (distance) C4'-P energy: -95.742 bonds (distance) P-C4' energy: -102.919 flat angles C4'-P-C4' energy: -98.779 flat angles P-C4'-P energy: -54.797 tors. eta vs tors. theta energy: -12.621 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: 1, replica: 1 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2233.321275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.321275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.321275 (E_RNA) where: Base-Base interactions energy: -1550.559 where: short stacking energy: -621.754 Base-Backbone interact. energy: 0.469 local terms energy: -683.230907 where: bonds (distance) C4'-P energy: -130.833 bonds (distance) P-C4' energy: -129.424 flat angles C4'-P-C4' energy: -146.671 flat angles P-C4'-P energy: -89.273 tors. eta vs tors. theta energy: -187.029 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: 2, replica: 10 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2206.807484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.807484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.807484 (E_RNA) where: Base-Base interactions energy: -1531.147 where: short stacking energy: -643.351 Base-Backbone interact. energy: -2.685 local terms energy: -672.975276 where: bonds (distance) C4'-P energy: -127.760 bonds (distance) P-C4' energy: -121.649 flat angles C4'-P-C4' energy: -146.848 flat angles P-C4'-P energy: -90.177 tors. eta vs tors. theta energy: -186.540 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: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2152.751595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.751595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.751595 (E_RNA) where: Base-Base interactions energy: -1487.705 where: short stacking energy: -621.852 Base-Backbone interact. energy: -3.401 local terms energy: -661.645938 where: bonds (distance) C4'-P energy: -120.226 bonds (distance) P-C4' energy: -114.184 flat angles C4'-P-C4' energy: -152.384 flat angles P-C4'-P energy: -80.742 tors. eta vs tors. theta energy: -194.109 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: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1919.950480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.950480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.950480 (E_RNA) where: Base-Base interactions energy: -1314.707 where: short stacking energy: -561.794 Base-Backbone interact. energy: -1.492 local terms energy: -603.750829 where: bonds (distance) C4'-P energy: -115.399 bonds (distance) P-C4' energy: -112.308 flat angles C4'-P-C4' energy: -131.221 flat angles P-C4'-P energy: -89.955 tors. eta vs tors. theta energy: -154.868 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: 5, replica: 4 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1877.410214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.410214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.410214 (E_RNA) where: Base-Base interactions energy: -1292.419 where: short stacking energy: -555.678 Base-Backbone interact. energy: -3.214 local terms energy: -581.777801 where: bonds (distance) C4'-P energy: -95.593 bonds (distance) P-C4' energy: -125.571 flat angles C4'-P-C4' energy: -130.842 flat angles P-C4'-P energy: -78.082 tors. eta vs tors. theta energy: -151.690 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: 6, replica: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1734.424630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.424630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.424630 (E_RNA) where: Base-Base interactions energy: -1194.993 where: short stacking energy: -501.481 Base-Backbone interact. energy: -2.647 local terms energy: -536.785011 where: bonds (distance) C4'-P energy: -100.736 bonds (distance) P-C4' energy: -91.385 flat angles C4'-P-C4' energy: -118.800 flat angles P-C4'-P energy: -75.958 tors. eta vs tors. theta energy: -149.906 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: 7, replica: 9 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1680.302506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.302506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.302506 (E_RNA) where: Base-Base interactions energy: -1154.471 where: short stacking energy: -486.874 Base-Backbone interact. energy: -0.704 local terms energy: -525.127636 where: bonds (distance) C4'-P energy: -112.025 bonds (distance) P-C4' energy: -111.811 flat angles C4'-P-C4' energy: -103.768 flat angles P-C4'-P energy: -58.435 tors. eta vs tors. theta energy: -139.089 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: 8, replica: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1135.191707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.191707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.191707 (E_RNA) where: Base-Base interactions energy: -716.469 where: short stacking energy: -313.193 Base-Backbone interact. energy: -2.588 local terms energy: -416.134685 where: bonds (distance) C4'-P energy: -106.901 bonds (distance) P-C4' energy: -96.594 flat angles C4'-P-C4' energy: -96.755 flat angles P-C4'-P energy: -66.066 tors. eta vs tors. theta energy: -49.819 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: 9, replica: 3 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -996.045465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.045465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.045465 (E_RNA) where: Base-Base interactions energy: -589.948 where: short stacking energy: -291.857 Base-Backbone interact. energy: -1.254 local terms energy: -404.843115 where: bonds (distance) C4'-P energy: -92.364 bonds (distance) P-C4' energy: -121.279 flat angles C4'-P-C4' energy: -101.514 flat angles P-C4'-P energy: -46.883 tors. eta vs tors. theta energy: -42.802 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: 5 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -913.091823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.091823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.091823 (E_RNA) where: Base-Base interactions energy: -530.058 where: short stacking energy: -251.736 Base-Backbone interact. energy: -1.706 local terms energy: -381.327525 where: bonds (distance) C4'-P energy: -98.061 bonds (distance) P-C4' energy: -99.713 flat angles C4'-P-C4' energy: -90.164 flat angles P-C4'-P energy: -55.078 tors. eta vs tors. theta energy: -38.311 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: 1, replica: 1 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2270.752715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.752715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.752715 (E_RNA) where: Base-Base interactions energy: -1612.183 where: short stacking energy: -625.613 Base-Backbone interact. energy: -1.824 local terms energy: -656.745079 where: bonds (distance) C4'-P energy: -132.806 bonds (distance) P-C4' energy: -121.369 flat angles C4'-P-C4' energy: -132.390 flat angles P-C4'-P energy: -98.678 tors. eta vs tors. theta energy: -171.503 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: 2, replica: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2213.819690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.819690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.819690 (E_RNA) where: Base-Base interactions energy: -1519.507 where: short stacking energy: -662.579 Base-Backbone interact. energy: -2.016 local terms energy: -692.297121 where: bonds (distance) C4'-P energy: -125.210 bonds (distance) P-C4' energy: -129.222 flat angles C4'-P-C4' energy: -141.057 flat angles P-C4'-P energy: -90.589 tors. eta vs tors. theta energy: -206.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2089.528870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.528870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.528870 (E_RNA) where: Base-Base interactions energy: -1433.349 where: short stacking energy: -604.474 Base-Backbone interact. energy: -2.890 local terms energy: -653.289340 where: bonds (distance) C4'-P energy: -115.900 bonds (distance) P-C4' energy: -118.184 flat angles C4'-P-C4' energy: -133.379 flat angles P-C4'-P energy: -99.407 tors. eta vs tors. theta energy: -186.420 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: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1959.166638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.166638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.166638 (E_RNA) where: Base-Base interactions energy: -1365.403 where: short stacking energy: -559.153 Base-Backbone interact. energy: 0.557 local terms energy: -594.320073 where: bonds (distance) C4'-P energy: -100.528 bonds (distance) P-C4' energy: -120.460 flat angles C4'-P-C4' energy: -127.260 flat angles P-C4'-P energy: -81.153 tors. eta vs tors. theta energy: -164.918 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: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1869.267332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.267332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.267332 (E_RNA) where: Base-Base interactions energy: -1303.863 where: short stacking energy: -528.791 Base-Backbone interact. energy: -1.733 local terms energy: -563.670779 where: bonds (distance) C4'-P energy: -96.208 bonds (distance) P-C4' energy: -104.012 flat angles C4'-P-C4' energy: -125.892 flat angles P-C4'-P energy: -89.903 tors. eta vs tors. theta energy: -147.656 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: 6, replica: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1774.193902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.193902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.193902 (E_RNA) where: Base-Base interactions energy: -1228.901 where: short stacking energy: -518.875 Base-Backbone interact. energy: -2.775 local terms energy: -542.517310 where: bonds (distance) C4'-P energy: -103.729 bonds (distance) P-C4' energy: -106.062 flat angles C4'-P-C4' energy: -114.132 flat angles P-C4'-P energy: -77.754 tors. eta vs tors. theta energy: -140.841 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: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1677.631402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.631402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.631402 (E_RNA) where: Base-Base interactions energy: -1162.544 where: short stacking energy: -481.044 Base-Backbone interact. energy: -2.130 local terms energy: -512.957693 where: bonds (distance) C4'-P energy: -101.943 bonds (distance) P-C4' energy: -107.313 flat angles C4'-P-C4' energy: -115.124 flat angles P-C4'-P energy: -58.771 tors. eta vs tors. theta energy: -129.806 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: 2 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1160.098676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.098676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.098676 (E_RNA) where: Base-Base interactions energy: -706.052 where: short stacking energy: -320.743 Base-Backbone interact. energy: 1.110 local terms energy: -455.155725 where: bonds (distance) C4'-P energy: -112.772 bonds (distance) P-C4' energy: -109.968 flat angles C4'-P-C4' energy: -113.441 flat angles P-C4'-P energy: -59.568 tors. eta vs tors. theta energy: -59.407 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: 9, replica: 3 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -957.288588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.288588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.288588 (E_RNA) where: Base-Base interactions energy: -568.641 where: short stacking energy: -285.622 Base-Backbone interact. energy: 1.567 local terms energy: -390.214986 where: bonds (distance) C4'-P energy: -87.777 bonds (distance) P-C4' energy: -110.410 flat angles C4'-P-C4' energy: -101.541 flat angles P-C4'-P energy: -56.158 tors. eta vs tors. theta energy: -34.329 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: 10, replica: 5 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -864.503229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.503229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.503229 (E_RNA) where: Base-Base interactions energy: -505.445 where: short stacking energy: -235.796 Base-Backbone interact. energy: 0.651 local terms energy: -359.709440 where: bonds (distance) C4'-P energy: -100.054 bonds (distance) P-C4' energy: -88.915 flat angles C4'-P-C4' energy: -101.844 flat angles P-C4'-P energy: -52.079 tors. eta vs tors. theta energy: -16.818 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: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2247.331031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.331031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.331031 (E_RNA) where: Base-Base interactions energy: -1543.179 where: short stacking energy: -659.388 Base-Backbone interact. energy: -2.537 local terms energy: -701.615315 where: bonds (distance) C4'-P energy: -126.760 bonds (distance) P-C4' energy: -124.021 flat angles C4'-P-C4' energy: -148.873 flat angles P-C4'-P energy: -107.528 tors. eta vs tors. theta energy: -194.433 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: 1 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2204.381503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.381503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.381503 (E_RNA) where: Base-Base interactions energy: -1536.201 where: short stacking energy: -622.135 Base-Backbone interact. energy: -6.938 local terms energy: -661.242567 where: bonds (distance) C4'-P energy: -118.946 bonds (distance) P-C4' energy: -128.473 flat angles C4'-P-C4' energy: -143.292 flat angles P-C4'-P energy: -101.324 tors. eta vs tors. theta energy: -169.208 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: 7 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2139.468077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.468077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.468077 (E_RNA) where: Base-Base interactions energy: -1477.323 where: short stacking energy: -631.548 Base-Backbone interact. energy: -3.252 local terms energy: -658.893457 where: bonds (distance) C4'-P energy: -118.485 bonds (distance) P-C4' energy: -112.978 flat angles C4'-P-C4' energy: -136.932 flat angles P-C4'-P energy: -95.633 tors. eta vs tors. theta energy: -194.866 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: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1938.561409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.561409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.561409 (E_RNA) where: Base-Base interactions energy: -1338.942 where: short stacking energy: -562.307 Base-Backbone interact. energy: 0.450 local terms energy: -600.069020 where: bonds (distance) C4'-P energy: -116.735 bonds (distance) P-C4' energy: -115.812 flat angles C4'-P-C4' energy: -127.730 flat angles P-C4'-P energy: -89.678 tors. eta vs tors. theta energy: -150.114 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: 5, replica: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1862.096898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.096898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.096898 (E_RNA) where: Base-Base interactions energy: -1261.840 where: short stacking energy: -503.333 Base-Backbone interact. energy: -0.046 local terms energy: -600.211623 where: bonds (distance) C4'-P energy: -123.504 bonds (distance) P-C4' energy: -124.644 flat angles C4'-P-C4' energy: -125.543 flat angles P-C4'-P energy: -81.010 tors. eta vs tors. theta energy: -145.511 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: 6, replica: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1738.662567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.662567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.662567 (E_RNA) where: Base-Base interactions energy: -1170.358 where: short stacking energy: -491.653 Base-Backbone interact. energy: -1.085 local terms energy: -567.219822 where: bonds (distance) C4'-P energy: -99.630 bonds (distance) P-C4' energy: -117.183 flat angles C4'-P-C4' energy: -131.069 flat angles P-C4'-P energy: -76.893 tors. eta vs tors. theta energy: -142.445 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: 7, replica: 9 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1669.100396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.100396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.100396 (E_RNA) where: Base-Base interactions energy: -1132.677 where: short stacking energy: -483.362 Base-Backbone interact. energy: -3.557 local terms energy: -532.866602 where: bonds (distance) C4'-P energy: -95.312 bonds (distance) P-C4' energy: -114.590 flat angles C4'-P-C4' energy: -110.235 flat angles P-C4'-P energy: -72.625 tors. eta vs tors. theta energy: -140.105 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: 8, replica: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1152.482349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.482349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.482349 (E_RNA) where: Base-Base interactions energy: -740.064 where: short stacking energy: -314.887 Base-Backbone interact. energy: 0.731 local terms energy: -413.149217 where: bonds (distance) C4'-P energy: -90.785 bonds (distance) P-C4' energy: -100.100 flat angles C4'-P-C4' energy: -102.996 flat angles P-C4'-P energy: -56.420 tors. eta vs tors. theta energy: -62.847 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: 9, replica: 3 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -957.161325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.161325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.161325 (E_RNA) where: Base-Base interactions energy: -570.711 where: short stacking energy: -282.961 Base-Backbone interact. energy: -0.156 local terms energy: -386.294020 where: bonds (distance) C4'-P energy: -95.269 bonds (distance) P-C4' energy: -99.238 flat angles C4'-P-C4' energy: -99.457 flat angles P-C4'-P energy: -55.739 tors. eta vs tors. theta energy: -36.591 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: 10, replica: 5 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -878.235565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.235565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.235565 (E_RNA) where: Base-Base interactions energy: -504.091 where: short stacking energy: -246.728 Base-Backbone interact. energy: 4.259 local terms energy: -378.403740 where: bonds (distance) C4'-P energy: -100.242 bonds (distance) P-C4' energy: -109.454 flat angles C4'-P-C4' energy: -93.760 flat angles P-C4'-P energy: -50.362 tors. eta vs tors. theta energy: -24.585 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: 1, replica: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2262.266048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.266048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.266048 (E_RNA) where: Base-Base interactions energy: -1587.639 where: short stacking energy: -663.701 Base-Backbone interact. energy: -1.186 local terms energy: -673.440825 where: bonds (distance) C4'-P energy: -113.050 bonds (distance) P-C4' energy: -129.046 flat angles C4'-P-C4' energy: -147.028 flat angles P-C4'-P energy: -79.888 tors. eta vs tors. theta energy: -204.429 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: 1 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2181.045927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.045927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.045927 (E_RNA) where: Base-Base interactions energy: -1538.332 where: short stacking energy: -620.812 Base-Backbone interact. energy: -3.972 local terms energy: -638.742507 where: bonds (distance) C4'-P energy: -100.202 bonds (distance) P-C4' energy: -126.436 flat angles C4'-P-C4' energy: -139.159 flat angles P-C4'-P energy: -100.697 tors. eta vs tors. theta energy: -172.248 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: 3, replica: 7 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2121.414554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.414554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.414554 (E_RNA) where: Base-Base interactions energy: -1467.362 where: short stacking energy: -642.203 Base-Backbone interact. energy: -2.210 local terms energy: -651.842664 where: bonds (distance) C4'-P energy: -108.426 bonds (distance) P-C4' energy: -121.608 flat angles C4'-P-C4' energy: -141.888 flat angles P-C4'-P energy: -79.557 tors. eta vs tors. theta energy: -200.364 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: 4, replica: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1952.931687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.931687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.931687 (E_RNA) where: Base-Base interactions energy: -1349.024 where: short stacking energy: -545.930 Base-Backbone interact. energy: 0.246 local terms energy: -604.154065 where: bonds (distance) C4'-P energy: -111.513 bonds (distance) P-C4' energy: -100.616 flat angles C4'-P-C4' energy: -135.391 flat angles P-C4'-P energy: -92.442 tors. eta vs tors. theta energy: -164.193 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: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1870.300270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.300270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.300270 (E_RNA) where: Base-Base interactions energy: -1261.119 where: short stacking energy: -513.381 Base-Backbone interact. energy: 4.571 local terms energy: -613.752542 where: bonds (distance) C4'-P energy: -113.310 bonds (distance) P-C4' energy: -121.345 flat angles C4'-P-C4' energy: -129.778 flat angles P-C4'-P energy: -99.741 tors. eta vs tors. theta energy: -149.579 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: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1780.456417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.456417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.456417 (E_RNA) where: Base-Base interactions energy: -1225.502 where: short stacking energy: -508.236 Base-Backbone interact. energy: -3.960 local terms energy: -550.994425 where: bonds (distance) C4'-P energy: -107.647 bonds (distance) P-C4' energy: -95.842 flat angles C4'-P-C4' energy: -116.889 flat angles P-C4'-P energy: -81.830 tors. eta vs tors. theta energy: -148.785 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: 9 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1644.513706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.513706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.513706 (E_RNA) where: Base-Base interactions energy: -1084.128 where: short stacking energy: -476.513 Base-Backbone interact. energy: -1.184 local terms energy: -559.201322 where: bonds (distance) C4'-P energy: -119.519 bonds (distance) P-C4' energy: -112.031 flat angles C4'-P-C4' energy: -119.696 flat angles P-C4'-P energy: -79.109 tors. eta vs tors. theta energy: -128.846 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: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1181.087063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.087063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.087063 (E_RNA) where: Base-Base interactions energy: -742.350 where: short stacking energy: -328.084 Base-Backbone interact. energy: 3.544 local terms energy: -442.281045 where: bonds (distance) C4'-P energy: -92.783 bonds (distance) P-C4' energy: -118.592 flat angles C4'-P-C4' energy: -112.765 flat angles P-C4'-P energy: -65.478 tors. eta vs tors. theta energy: -52.663 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: 3 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -930.596923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.596923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.596923 (E_RNA) where: Base-Base interactions energy: -539.521 where: short stacking energy: -249.314 Base-Backbone interact. energy: 1.845 local terms energy: -392.920781 where: bonds (distance) C4'-P energy: -102.222 bonds (distance) P-C4' energy: -105.804 flat angles C4'-P-C4' energy: -100.280 flat angles P-C4'-P energy: -57.255 tors. eta vs tors. theta energy: -27.360 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: 10, replica: 5 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -886.507769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.507769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.507769 (E_RNA) where: Base-Base interactions energy: -519.117 where: short stacking energy: -253.026 Base-Backbone interact. energy: -3.222 local terms energy: -364.169118 where: bonds (distance) C4'-P energy: -99.635 bonds (distance) P-C4' energy: -110.857 flat angles C4'-P-C4' energy: -84.767 flat angles P-C4'-P energy: -41.623 tors. eta vs tors. theta energy: -27.287 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: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2242.079681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.079681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.079681 (E_RNA) where: Base-Base interactions energy: -1544.464 where: short stacking energy: -669.070 Base-Backbone interact. energy: -2.420 local terms energy: -695.195517 where: bonds (distance) C4'-P energy: -134.944 bonds (distance) P-C4' energy: -138.734 flat angles C4'-P-C4' energy: -137.501 flat angles P-C4'-P energy: -81.436 tors. eta vs tors. theta energy: -202.582 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: 2, replica: 1 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2191.442550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.442550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.442550 (E_RNA) where: Base-Base interactions energy: -1556.336 where: short stacking energy: -645.273 Base-Backbone interact. energy: 4.229 local terms energy: -639.335855 where: bonds (distance) C4'-P energy: -111.304 bonds (distance) P-C4' energy: -115.464 flat angles C4'-P-C4' energy: -135.850 flat angles P-C4'-P energy: -99.422 tors. eta vs tors. theta energy: -177.296 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: 7 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2103.385609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.385609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.385609 (E_RNA) where: Base-Base interactions energy: -1437.274 where: short stacking energy: -612.471 Base-Backbone interact. energy: -0.417 local terms energy: -665.694704 where: bonds (distance) C4'-P energy: -116.276 bonds (distance) P-C4' energy: -123.817 flat angles C4'-P-C4' energy: -141.595 flat angles P-C4'-P energy: -93.424 tors. eta vs tors. theta energy: -190.584 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: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1979.519889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.519889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.519889 (E_RNA) where: Base-Base interactions energy: -1353.706 where: short stacking energy: -556.431 Base-Backbone interact. energy: -1.917 local terms energy: -623.896462 where: bonds (distance) C4'-P energy: -94.855 bonds (distance) P-C4' energy: -126.550 flat angles C4'-P-C4' energy: -135.768 flat angles P-C4'-P energy: -96.718 tors. eta vs tors. theta energy: -170.004 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: 5, replica: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1836.639679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.639679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.639679 (E_RNA) where: Base-Base interactions energy: -1258.784 where: short stacking energy: -520.036 Base-Backbone interact. energy: -1.879 local terms energy: -575.977135 where: bonds (distance) C4'-P energy: -110.037 bonds (distance) P-C4' energy: -121.804 flat angles C4'-P-C4' energy: -123.876 flat angles P-C4'-P energy: -81.949 tors. eta vs tors. theta energy: -138.312 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: 6, replica: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1771.297354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.297354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.297354 (E_RNA) where: Base-Base interactions energy: -1228.911 where: short stacking energy: -508.562 Base-Backbone interact. energy: -2.380 local terms energy: -540.006470 where: bonds (distance) C4'-P energy: -98.362 bonds (distance) P-C4' energy: -117.769 flat angles C4'-P-C4' energy: -108.753 flat angles P-C4'-P energy: -79.364 tors. eta vs tors. theta energy: -135.758 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: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1617.663191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.663191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.663191 (E_RNA) where: Base-Base interactions energy: -1078.661 where: short stacking energy: -494.000 Base-Backbone interact. energy: -3.909 local terms energy: -535.093480 where: bonds (distance) C4'-P energy: -100.028 bonds (distance) P-C4' energy: -102.415 flat angles C4'-P-C4' energy: -123.210 flat angles P-C4'-P energy: -64.617 tors. eta vs tors. theta energy: -144.823 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: 8, replica: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1131.519999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.519999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.519999 (E_RNA) where: Base-Base interactions energy: -710.368 where: short stacking energy: -311.112 Base-Backbone interact. energy: 3.743 local terms energy: -424.895672 where: bonds (distance) C4'-P energy: -98.939 bonds (distance) P-C4' energy: -98.904 flat angles C4'-P-C4' energy: -117.932 flat angles P-C4'-P energy: -66.554 tors. eta vs tors. theta energy: -42.567 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: 9, replica: 3 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -945.637319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.637319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.637319 (E_RNA) where: Base-Base interactions energy: -591.479 where: short stacking energy: -269.844 Base-Backbone interact. energy: 9.250 local terms energy: -363.407460 where: bonds (distance) C4'-P energy: -98.493 bonds (distance) P-C4' energy: -104.965 flat angles C4'-P-C4' energy: -87.010 flat angles P-C4'-P energy: -42.291 tors. eta vs tors. theta energy: -30.647 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: 10, replica: 5 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -921.036394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.036394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.036394 (E_RNA) where: Base-Base interactions energy: -544.751 where: short stacking energy: -256.293 Base-Backbone interact. energy: -3.989 local terms energy: -372.297078 where: bonds (distance) C4'-P energy: -94.100 bonds (distance) P-C4' energy: -106.263 flat angles C4'-P-C4' energy: -91.455 flat angles P-C4'-P energy: -55.346 tors. eta vs tors. theta energy: -25.134 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: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2264.801007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.801007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.801007 (E_RNA) where: Base-Base interactions energy: -1568.998 where: short stacking energy: -661.496 Base-Backbone interact. energy: -1.817 local terms energy: -693.985714 where: bonds (distance) C4'-P energy: -129.564 bonds (distance) P-C4' energy: -132.549 flat angles C4'-P-C4' energy: -134.066 flat angles P-C4'-P energy: -108.102 tors. eta vs tors. theta energy: -189.705 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: 2, replica: 1 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2217.638484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.638484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.638484 (E_RNA) where: Base-Base interactions energy: -1558.827 where: short stacking energy: -626.340 Base-Backbone interact. energy: -2.572 local terms energy: -656.238732 where: bonds (distance) C4'-P energy: -123.512 bonds (distance) P-C4' energy: -115.403 flat angles C4'-P-C4' energy: -146.947 flat angles P-C4'-P energy: -90.507 tors. eta vs tors. theta energy: -179.871 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: 3, replica: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2122.021582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.021582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.021582 (E_RNA) where: Base-Base interactions energy: -1458.488 where: short stacking energy: -614.547 Base-Backbone interact. energy: -2.333 local terms energy: -661.200722 where: bonds (distance) C4'-P energy: -127.223 bonds (distance) P-C4' energy: -115.321 flat angles C4'-P-C4' energy: -144.176 flat angles P-C4'-P energy: -88.825 tors. eta vs tors. theta energy: -185.656 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: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1997.087961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.087961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.087961 (E_RNA) where: Base-Base interactions energy: -1369.422 where: short stacking energy: -560.294 Base-Backbone interact. energy: -1.511 local terms energy: -626.154616 where: bonds (distance) C4'-P energy: -117.056 bonds (distance) P-C4' energy: -117.164 flat angles C4'-P-C4' energy: -137.644 flat angles P-C4'-P energy: -84.622 tors. eta vs tors. theta energy: -169.668 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: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1812.375077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.375077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.375077 (E_RNA) where: Base-Base interactions energy: -1223.307 where: short stacking energy: -505.563 Base-Backbone interact. energy: -2.442 local terms energy: -586.625902 where: bonds (distance) C4'-P energy: -121.790 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -125.974 flat angles P-C4'-P energy: -90.514 tors. eta vs tors. theta energy: -126.562 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: 8 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1783.058329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.058329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.058329 (E_RNA) where: Base-Base interactions energy: -1183.377 where: short stacking energy: -485.100 Base-Backbone interact. energy: -1.022 local terms energy: -598.658565 where: bonds (distance) C4'-P energy: -115.850 bonds (distance) P-C4' energy: -131.491 flat angles C4'-P-C4' energy: -122.225 flat angles P-C4'-P energy: -93.517 tors. eta vs tors. theta energy: -135.576 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: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1612.644444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.644444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.644444 (E_RNA) where: Base-Base interactions energy: -1054.172 where: short stacking energy: -458.423 Base-Backbone interact. energy: -3.394 local terms energy: -555.078745 where: bonds (distance) C4'-P energy: -115.870 bonds (distance) P-C4' energy: -114.931 flat angles C4'-P-C4' energy: -117.071 flat angles P-C4'-P energy: -73.299 tors. eta vs tors. theta energy: -133.908 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: 8, replica: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1132.400348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.400348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.400348 (E_RNA) where: Base-Base interactions energy: -694.549 where: short stacking energy: -315.493 Base-Backbone interact. energy: -2.310 local terms energy: -435.540595 where: bonds (distance) C4'-P energy: -94.987 bonds (distance) P-C4' energy: -114.439 flat angles C4'-P-C4' energy: -101.691 flat angles P-C4'-P energy: -69.907 tors. eta vs tors. theta energy: -54.516 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: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1053.567472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.567472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.567472 (E_RNA) where: Base-Base interactions energy: -631.659 where: short stacking energy: -304.325 Base-Backbone interact. energy: -2.563 local terms energy: -419.345812 where: bonds (distance) C4'-P energy: -116.994 bonds (distance) P-C4' energy: -106.654 flat angles C4'-P-C4' energy: -86.517 flat angles P-C4'-P energy: -57.858 tors. eta vs tors. theta energy: -51.324 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: 5 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -900.156433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.156433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.156433 (E_RNA) where: Base-Base interactions energy: -528.436 where: short stacking energy: -253.507 Base-Backbone interact. energy: 6.851 local terms energy: -378.571414 where: bonds (distance) C4'-P energy: -90.300 bonds (distance) P-C4' energy: -99.128 flat angles C4'-P-C4' energy: -97.009 flat angles P-C4'-P energy: -69.359 tors. eta vs tors. theta energy: -22.776 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: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2267.579282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.579282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.579282 (E_RNA) where: Base-Base interactions energy: -1605.322 where: short stacking energy: -627.520 Base-Backbone interact. energy: -4.334 local terms energy: -657.923651 where: bonds (distance) C4'-P energy: -122.132 bonds (distance) P-C4' energy: -124.875 flat angles C4'-P-C4' energy: -137.215 flat angles P-C4'-P energy: -90.398 tors. eta vs tors. theta energy: -183.304 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: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2201.485991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.485991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.485991 (E_RNA) where: Base-Base interactions energy: -1549.584 where: short stacking energy: -655.026 Base-Backbone interact. energy: -3.413 local terms energy: -648.488698 where: bonds (distance) C4'-P energy: -116.798 bonds (distance) P-C4' energy: -115.723 flat angles C4'-P-C4' energy: -131.321 flat angles P-C4'-P energy: -93.340 tors. eta vs tors. theta energy: -191.307 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: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2146.095630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.095630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.095630 (E_RNA) where: Base-Base interactions energy: -1469.815 where: short stacking energy: -630.128 Base-Backbone interact. energy: -3.596 local terms energy: -672.684934 where: bonds (distance) C4'-P energy: -118.723 bonds (distance) P-C4' energy: -127.228 flat angles C4'-P-C4' energy: -132.973 flat angles P-C4'-P energy: -86.688 tors. eta vs tors. theta energy: -207.072 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: 4, replica: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1916.745333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.745333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.745333 (E_RNA) where: Base-Base interactions energy: -1341.365 where: short stacking energy: -558.198 Base-Backbone interact. energy: -1.247 local terms energy: -574.133053 where: bonds (distance) C4'-P energy: -121.243 bonds (distance) P-C4' energy: -100.724 flat angles C4'-P-C4' energy: -130.921 flat angles P-C4'-P energy: -72.244 tors. eta vs tors. theta energy: -149.002 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: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1915.765228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.765228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.765228 (E_RNA) where: Base-Base interactions energy: -1337.344 where: short stacking energy: -544.912 Base-Backbone interact. energy: 0.565 local terms energy: -578.986220 where: bonds (distance) C4'-P energy: -105.518 bonds (distance) P-C4' energy: -118.216 flat angles C4'-P-C4' energy: -118.597 flat angles P-C4'-P energy: -75.884 tors. eta vs tors. theta energy: -160.771 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: 6, replica: 6 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1755.517532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.517532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.517532 (E_RNA) where: Base-Base interactions energy: -1205.137 where: short stacking energy: -496.208 Base-Backbone interact. energy: -1.945 local terms energy: -548.435395 where: bonds (distance) C4'-P energy: -90.260 bonds (distance) P-C4' energy: -113.401 flat angles C4'-P-C4' energy: -119.298 flat angles P-C4'-P energy: -85.888 tors. eta vs tors. theta energy: -139.589 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: 7, replica: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1622.000150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.000150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.000150 (E_RNA) where: Base-Base interactions energy: -1096.568 where: short stacking energy: -476.152 Base-Backbone interact. energy: 0.835 local terms energy: -526.267459 where: bonds (distance) C4'-P energy: -93.739 bonds (distance) P-C4' energy: -113.052 flat angles C4'-P-C4' energy: -104.735 flat angles P-C4'-P energy: -71.955 tors. eta vs tors. theta energy: -142.786 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: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1135.121454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.121454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.121454 (E_RNA) where: Base-Base interactions energy: -717.400 where: short stacking energy: -308.067 Base-Backbone interact. energy: -0.389 local terms energy: -417.333291 where: bonds (distance) C4'-P energy: -95.886 bonds (distance) P-C4' energy: -110.174 flat angles C4'-P-C4' energy: -105.276 flat angles P-C4'-P energy: -57.849 tors. eta vs tors. theta energy: -48.149 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: 9, replica: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1078.348132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.348132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.348132 (E_RNA) where: Base-Base interactions energy: -640.666 where: short stacking energy: -312.805 Base-Backbone interact. energy: 3.492 local terms energy: -441.173963 where: bonds (distance) C4'-P energy: -93.906 bonds (distance) P-C4' energy: -108.889 flat angles C4'-P-C4' energy: -111.473 flat angles P-C4'-P energy: -64.674 tors. eta vs tors. theta energy: -62.232 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: 10, replica: 5 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -956.899386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.899386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.899386 (E_RNA) where: Base-Base interactions energy: -569.617 where: short stacking energy: -258.568 Base-Backbone interact. energy: 3.260 local terms energy: -390.542765 where: bonds (distance) C4'-P energy: -100.124 bonds (distance) P-C4' energy: -89.475 flat angles C4'-P-C4' energy: -111.934 flat angles P-C4'-P energy: -58.645 tors. eta vs tors. theta energy: -30.365 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: 1, replica: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2261.768027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.768027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.768027 (E_RNA) where: Base-Base interactions energy: -1611.110 where: short stacking energy: -620.122 Base-Backbone interact. energy: -3.234 local terms energy: -647.423691 where: bonds (distance) C4'-P energy: -118.633 bonds (distance) P-C4' energy: -123.053 flat angles C4'-P-C4' energy: -140.272 flat angles P-C4'-P energy: -91.493 tors. eta vs tors. theta energy: -173.973 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: 2, replica: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2202.474408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.474408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.474408 (E_RNA) where: Base-Base interactions energy: -1520.762 where: short stacking energy: -634.939 Base-Backbone interact. energy: -5.029 local terms energy: -676.683555 where: bonds (distance) C4'-P energy: -124.808 bonds (distance) P-C4' energy: -117.139 flat angles C4'-P-C4' energy: -149.394 flat angles P-C4'-P energy: -86.952 tors. eta vs tors. theta energy: -198.391 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: 3, replica: 7 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2108.771154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.771154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.771154 (E_RNA) where: Base-Base interactions energy: -1427.048 where: short stacking energy: -614.396 Base-Backbone interact. energy: -0.882 local terms energy: -680.841027 where: bonds (distance) C4'-P energy: -119.517 bonds (distance) P-C4' energy: -117.461 flat angles C4'-P-C4' energy: -151.435 flat angles P-C4'-P energy: -96.902 tors. eta vs tors. theta energy: -195.526 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: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1936.364928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.364928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.364928 (E_RNA) where: Base-Base interactions energy: -1348.061 where: short stacking energy: -562.780 Base-Backbone interact. energy: -3.980 local terms energy: -584.323753 where: bonds (distance) C4'-P energy: -106.430 bonds (distance) P-C4' energy: -108.896 flat angles C4'-P-C4' energy: -129.914 flat angles P-C4'-P energy: -73.719 tors. eta vs tors. theta energy: -165.365 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: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1897.093822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.093822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.093822 (E_RNA) where: Base-Base interactions energy: -1305.569 where: short stacking energy: -533.784 Base-Backbone interact. energy: 1.039 local terms energy: -592.563518 where: bonds (distance) C4'-P energy: -105.281 bonds (distance) P-C4' energy: -117.737 flat angles C4'-P-C4' energy: -139.169 flat angles P-C4'-P energy: -71.324 tors. eta vs tors. theta energy: -159.052 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: 6, replica: 6 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1790.394616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.394616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.394616 (E_RNA) where: Base-Base interactions energy: -1257.963 where: short stacking energy: -513.581 Base-Backbone interact. energy: 1.283 local terms energy: -533.714352 where: bonds (distance) C4'-P energy: -95.946 bonds (distance) P-C4' energy: -99.160 flat angles C4'-P-C4' energy: -102.002 flat angles P-C4'-P energy: -91.558 tors. eta vs tors. theta energy: -145.048 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: 7, replica: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1616.415435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.415435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.415435 (E_RNA) where: Base-Base interactions energy: -1069.067 where: short stacking energy: -471.756 Base-Backbone interact. energy: 4.327 local terms energy: -551.674660 where: bonds (distance) C4'-P energy: -97.993 bonds (distance) P-C4' energy: -121.313 flat angles C4'-P-C4' energy: -112.182 flat angles P-C4'-P energy: -90.204 tors. eta vs tors. theta energy: -129.983 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: 2 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1161.787023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.787023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.787023 (E_RNA) where: Base-Base interactions energy: -710.985 where: short stacking energy: -307.334 Base-Backbone interact. energy: -1.286 local terms energy: -449.515844 where: bonds (distance) C4'-P energy: -118.484 bonds (distance) P-C4' energy: -105.350 flat angles C4'-P-C4' energy: -109.202 flat angles P-C4'-P energy: -53.267 tors. eta vs tors. theta energy: -63.213 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: 9, replica: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1003.033402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.033402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.033402 (E_RNA) where: Base-Base interactions energy: -598.341 where: short stacking energy: -280.934 Base-Backbone interact. energy: -2.474 local terms energy: -402.218331 where: bonds (distance) C4'-P energy: -100.552 bonds (distance) P-C4' energy: -112.598 flat angles C4'-P-C4' energy: -88.339 flat angles P-C4'-P energy: -60.165 tors. eta vs tors. theta energy: -40.564 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: 10, replica: 5 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1020.823218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.823218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.823218 (E_RNA) where: Base-Base interactions energy: -634.467 where: short stacking energy: -306.488 Base-Backbone interact. energy: 6.478 local terms energy: -392.834124 where: bonds (distance) C4'-P energy: -86.486 bonds (distance) P-C4' energy: -84.584 flat angles C4'-P-C4' energy: -94.845 flat angles P-C4'-P energy: -67.970 tors. eta vs tors. theta energy: -58.949 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: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2273.897240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.897240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.897240 (E_RNA) where: Base-Base interactions energy: -1608.385 where: short stacking energy: -636.017 Base-Backbone interact. energy: 1.627 local terms energy: -667.139697 where: bonds (distance) C4'-P energy: -127.640 bonds (distance) P-C4' energy: -120.841 flat angles C4'-P-C4' energy: -142.321 flat angles P-C4'-P energy: -88.917 tors. eta vs tors. theta energy: -187.422 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: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2184.171808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.171808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.171808 (E_RNA) where: Base-Base interactions energy: -1521.778 where: short stacking energy: -634.687 Base-Backbone interact. energy: -1.493 local terms energy: -660.901358 where: bonds (distance) C4'-P energy: -125.209 bonds (distance) P-C4' energy: -111.470 flat angles C4'-P-C4' energy: -139.246 flat angles P-C4'-P energy: -91.830 tors. eta vs tors. theta energy: -193.146 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: 3, replica: 7 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2128.231100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.231100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.231100 (E_RNA) where: Base-Base interactions energy: -1481.231 where: short stacking energy: -634.875 Base-Backbone interact. energy: -0.176 local terms energy: -646.824462 where: bonds (distance) C4'-P energy: -108.735 bonds (distance) P-C4' energy: -107.508 flat angles C4'-P-C4' energy: -139.139 flat angles P-C4'-P energy: -89.924 tors. eta vs tors. theta energy: -201.519 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: 8 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1950.296217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.296217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.296217 (E_RNA) where: Base-Base interactions energy: -1318.596 where: short stacking energy: -531.417 Base-Backbone interact. energy: -4.618 local terms energy: -627.081978 where: bonds (distance) C4'-P energy: -111.365 bonds (distance) P-C4' energy: -123.549 flat angles C4'-P-C4' energy: -131.199 flat angles P-C4'-P energy: -92.426 tors. eta vs tors. theta energy: -168.543 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: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1852.464101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.464101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.464101 (E_RNA) where: Base-Base interactions energy: -1293.503 where: short stacking energy: -542.625 Base-Backbone interact. energy: -1.471 local terms energy: -557.489746 where: bonds (distance) C4'-P energy: -108.074 bonds (distance) P-C4' energy: -105.198 flat angles C4'-P-C4' energy: -117.468 flat angles P-C4'-P energy: -77.649 tors. eta vs tors. theta energy: -149.101 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: 6, replica: 6 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1751.409385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.409385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.409385 (E_RNA) where: Base-Base interactions energy: -1187.077 where: short stacking energy: -493.791 Base-Backbone interact. energy: 1.164 local terms energy: -565.496031 where: bonds (distance) C4'-P energy: -103.667 bonds (distance) P-C4' energy: -110.766 flat angles C4'-P-C4' energy: -124.388 flat angles P-C4'-P energy: -83.317 tors. eta vs tors. theta energy: -143.358 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: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1590.637655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.637655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.637655 (E_RNA) where: Base-Base interactions energy: -1073.833 where: short stacking energy: -462.070 Base-Backbone interact. energy: -4.426 local terms energy: -512.379418 where: bonds (distance) C4'-P energy: -110.292 bonds (distance) P-C4' energy: -105.543 flat angles C4'-P-C4' energy: -110.869 flat angles P-C4'-P energy: -68.857 tors. eta vs tors. theta energy: -116.819 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: 8, replica: 2 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1196.787161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.787161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.787161 (E_RNA) where: Base-Base interactions energy: -764.723 where: short stacking energy: -325.925 Base-Backbone interact. energy: -1.259 local terms energy: -430.805236 where: bonds (distance) C4'-P energy: -99.478 bonds (distance) P-C4' energy: -106.489 flat angles C4'-P-C4' energy: -114.492 flat angles P-C4'-P energy: -60.109 tors. eta vs tors. theta energy: -50.237 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: 5 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1016.064649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.064649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.064649 (E_RNA) where: Base-Base interactions energy: -593.906 where: short stacking energy: -275.602 Base-Backbone interact. energy: 5.983 local terms energy: -428.141643 where: bonds (distance) C4'-P energy: -107.413 bonds (distance) P-C4' energy: -111.446 flat angles C4'-P-C4' energy: -94.921 flat angles P-C4'-P energy: -72.779 tors. eta vs tors. theta energy: -41.583 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: 3 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1008.553666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.553666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.553666 (E_RNA) where: Base-Base interactions energy: -591.580 where: short stacking energy: -263.601 Base-Backbone interact. energy: -1.150 local terms energy: -415.824267 where: bonds (distance) C4'-P energy: -86.721 bonds (distance) P-C4' energy: -113.725 flat angles C4'-P-C4' energy: -102.028 flat angles P-C4'-P energy: -76.640 tors. eta vs tors. theta energy: -36.710 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: 1, replica: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2279.829593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.829593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.829593 (E_RNA) where: Base-Base interactions energy: -1603.647 where: short stacking energy: -632.873 Base-Backbone interact. energy: -2.111 local terms energy: -674.071924 where: bonds (distance) C4'-P energy: -124.262 bonds (distance) P-C4' energy: -120.853 flat angles C4'-P-C4' energy: -136.343 flat angles P-C4'-P energy: -108.654 tors. eta vs tors. theta energy: -183.959 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: 2, replica: 7 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2177.199972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.199972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.199972 (E_RNA) where: Base-Base interactions energy: -1499.948 where: short stacking energy: -647.875 Base-Backbone interact. energy: -0.872 local terms energy: -676.379344 where: bonds (distance) C4'-P energy: -125.455 bonds (distance) P-C4' energy: -114.018 flat angles C4'-P-C4' energy: -142.672 flat angles P-C4'-P energy: -89.013 tors. eta vs tors. theta energy: -205.222 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: 3, replica: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2134.161073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.161073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.161073 (E_RNA) where: Base-Base interactions energy: -1504.602 where: short stacking energy: -629.010 Base-Backbone interact. energy: -2.433 local terms energy: -627.126231 where: bonds (distance) C4'-P energy: -105.245 bonds (distance) P-C4' energy: -117.695 flat angles C4'-P-C4' energy: -131.019 flat angles P-C4'-P energy: -92.101 tors. eta vs tors. theta energy: -181.066 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: 8 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1920.116711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.116711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.116711 (E_RNA) where: Base-Base interactions energy: -1316.046 where: short stacking energy: -578.296 Base-Backbone interact. energy: -4.416 local terms energy: -599.654183 where: bonds (distance) C4'-P energy: -103.055 bonds (distance) P-C4' energy: -113.816 flat angles C4'-P-C4' energy: -137.181 flat angles P-C4'-P energy: -81.233 tors. eta vs tors. theta energy: -164.369 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: 5, replica: 4 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1852.472964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.472964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.472964 (E_RNA) where: Base-Base interactions energy: -1306.351 where: short stacking energy: -541.906 Base-Backbone interact. energy: -2.609 local terms energy: -543.512355 where: bonds (distance) C4'-P energy: -115.255 bonds (distance) P-C4' energy: -99.034 flat angles C4'-P-C4' energy: -111.499 flat angles P-C4'-P energy: -66.956 tors. eta vs tors. theta energy: -150.768 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: 6, replica: 6 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1794.236201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.236201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.236201 (E_RNA) where: Base-Base interactions energy: -1226.779 where: short stacking energy: -539.296 Base-Backbone interact. energy: -2.133 local terms energy: -565.323838 where: bonds (distance) C4'-P energy: -96.930 bonds (distance) P-C4' energy: -99.770 flat angles C4'-P-C4' energy: -131.573 flat angles P-C4'-P energy: -88.957 tors. eta vs tors. theta energy: -148.094 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: 7, replica: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1651.712203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.712203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.712203 (E_RNA) where: Base-Base interactions energy: -1150.281 where: short stacking energy: -476.921 Base-Backbone interact. energy: 2.516 local terms energy: -503.947341 where: bonds (distance) C4'-P energy: -91.517 bonds (distance) P-C4' energy: -102.900 flat angles C4'-P-C4' energy: -126.643 flat angles P-C4'-P energy: -64.914 tors. eta vs tors. theta energy: -117.973 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: 8, replica: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1187.409385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.409385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.409385 (E_RNA) where: Base-Base interactions energy: -737.558 where: short stacking energy: -360.012 Base-Backbone interact. energy: -0.260 local terms energy: -449.591573 where: bonds (distance) C4'-P energy: -108.941 bonds (distance) P-C4' energy: -101.746 flat angles C4'-P-C4' energy: -106.957 flat angles P-C4'-P energy: -64.636 tors. eta vs tors. theta energy: -67.312 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: 9, replica: 5 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1057.756373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.756373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.756373 (E_RNA) where: Base-Base interactions energy: -651.194 where: short stacking energy: -322.376 Base-Backbone interact. energy: -0.054 local terms energy: -406.508396 where: bonds (distance) C4'-P energy: -102.052 bonds (distance) P-C4' energy: -107.442 flat angles C4'-P-C4' energy: -87.501 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -45.681 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: 10, replica: 3 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -950.388281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.388281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.388281 (E_RNA) where: Base-Base interactions energy: -579.301 where: short stacking energy: -274.527 Base-Backbone interact. energy: -1.357 local terms energy: -369.730270 where: bonds (distance) C4'-P energy: -93.822 bonds (distance) P-C4' energy: -100.195 flat angles C4'-P-C4' energy: -88.981 flat angles P-C4'-P energy: -45.719 tors. eta vs tors. theta energy: -41.014 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: 1, replica: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2271.679028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.679028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.679028 (E_RNA) where: Base-Base interactions energy: -1595.328 where: short stacking energy: -622.538 Base-Backbone interact. energy: -1.115 local terms energy: -675.236184 where: bonds (distance) C4'-P energy: -128.732 bonds (distance) P-C4' energy: -121.536 flat angles C4'-P-C4' energy: -139.416 flat angles P-C4'-P energy: -101.571 tors. eta vs tors. theta energy: -183.981 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: 2, replica: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2186.857140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.857140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.857140 (E_RNA) where: Base-Base interactions energy: -1489.856 where: short stacking energy: -623.970 Base-Backbone interact. energy: -1.415 local terms energy: -695.585654 where: bonds (distance) C4'-P energy: -124.629 bonds (distance) P-C4' energy: -138.186 flat angles C4'-P-C4' energy: -140.722 flat angles P-C4'-P energy: -89.579 tors. eta vs tors. theta energy: -202.470 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: 3, replica: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2121.208400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.208400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.208400 (E_RNA) where: Base-Base interactions energy: -1451.358 where: short stacking energy: -609.559 Base-Backbone interact. energy: -3.436 local terms energy: -666.414175 where: bonds (distance) C4'-P energy: -126.019 bonds (distance) P-C4' energy: -118.843 flat angles C4'-P-C4' energy: -140.225 flat angles P-C4'-P energy: -83.738 tors. eta vs tors. theta energy: -197.590 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: 4, replica: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1976.178777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.178777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.178777 (E_RNA) where: Base-Base interactions energy: -1365.212 where: short stacking energy: -550.866 Base-Backbone interact. energy: -1.138 local terms energy: -609.828559 where: bonds (distance) C4'-P energy: -102.889 bonds (distance) P-C4' energy: -124.966 flat angles C4'-P-C4' energy: -123.745 flat angles P-C4'-P energy: -93.492 tors. eta vs tors. theta energy: -164.737 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: 4 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1872.601347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.601347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.601347 (E_RNA) where: Base-Base interactions energy: -1296.888 where: short stacking energy: -537.442 Base-Backbone interact. energy: 0.544 local terms energy: -576.257071 where: bonds (distance) C4'-P energy: -104.353 bonds (distance) P-C4' energy: -110.615 flat angles C4'-P-C4' energy: -140.893 flat angles P-C4'-P energy: -74.759 tors. eta vs tors. theta energy: -145.636 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: 6, replica: 6 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1756.184886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.184886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.184886 (E_RNA) where: Base-Base interactions energy: -1195.364 where: short stacking energy: -494.369 Base-Backbone interact. energy: 3.245 local terms energy: -564.066265 where: bonds (distance) C4'-P energy: -118.645 bonds (distance) P-C4' energy: -116.536 flat angles C4'-P-C4' energy: -113.427 flat angles P-C4'-P energy: -83.337 tors. eta vs tors. theta energy: -132.122 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: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1656.871866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.871866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.871866 (E_RNA) where: Base-Base interactions energy: -1125.311 where: short stacking energy: -498.396 Base-Backbone interact. energy: -3.786 local terms energy: -527.775444 where: bonds (distance) C4'-P energy: -107.272 bonds (distance) P-C4' energy: -105.314 flat angles C4'-P-C4' energy: -104.532 flat angles P-C4'-P energy: -71.016 tors. eta vs tors. theta energy: -139.641 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: 2 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1209.383015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.383015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.383015 (E_RNA) where: Base-Base interactions energy: -794.228 where: short stacking energy: -378.547 Base-Backbone interact. energy: -1.423 local terms energy: -413.731842 where: bonds (distance) C4'-P energy: -82.386 bonds (distance) P-C4' energy: -106.483 flat angles C4'-P-C4' energy: -104.214 flat angles P-C4'-P energy: -50.265 tors. eta vs tors. theta energy: -70.384 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: 9, replica: 5 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -980.322817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.322817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.322817 (E_RNA) where: Base-Base interactions energy: -561.975 where: short stacking energy: -271.326 Base-Backbone interact. energy: -0.028 local terms energy: -418.320235 where: bonds (distance) C4'-P energy: -108.367 bonds (distance) P-C4' energy: -93.625 flat angles C4'-P-C4' energy: -109.893 flat angles P-C4'-P energy: -58.000 tors. eta vs tors. theta energy: -48.435 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: 3 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -934.254396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.254396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.254396 (E_RNA) where: Base-Base interactions energy: -574.128 where: short stacking energy: -281.695 Base-Backbone interact. energy: 0.616 local terms energy: -360.742790 where: bonds (distance) C4'-P energy: -91.448 bonds (distance) P-C4' energy: -100.364 flat angles C4'-P-C4' energy: -89.022 flat angles P-C4'-P energy: -59.531 tors. eta vs tors. theta energy: -20.377 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: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2264.293088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.293088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.293088 (E_RNA) where: Base-Base interactions energy: -1584.150 where: short stacking energy: -622.890 Base-Backbone interact. energy: -4.607 local terms energy: -675.536132 where: bonds (distance) C4'-P energy: -129.358 bonds (distance) P-C4' energy: -126.287 flat angles C4'-P-C4' energy: -151.150 flat angles P-C4'-P energy: -97.082 tors. eta vs tors. theta energy: -171.660 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: 7 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2160.012253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.012253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.012253 (E_RNA) where: Base-Base interactions energy: -1494.263 where: short stacking energy: -654.501 Base-Backbone interact. energy: -1.702 local terms energy: -664.047532 where: bonds (distance) C4'-P energy: -116.424 bonds (distance) P-C4' energy: -122.552 flat angles C4'-P-C4' energy: -136.214 flat angles P-C4'-P energy: -91.449 tors. eta vs tors. theta energy: -197.408 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: 417 Temperature: 1.000000 Total energy: -2068.702681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.702681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.702681 (E_RNA) where: Base-Base interactions energy: -1423.229 where: short stacking energy: -610.436 Base-Backbone interact. energy: -0.592 local terms energy: -644.880979 where: bonds (distance) C4'-P energy: -118.433 bonds (distance) P-C4' energy: -120.701 flat angles C4'-P-C4' energy: -131.957 flat angles P-C4'-P energy: -93.254 tors. eta vs tors. theta energy: -180.536 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: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1939.646651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.646651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.646651 (E_RNA) where: Base-Base interactions energy: -1333.000 where: short stacking energy: -558.111 Base-Backbone interact. energy: -1.673 local terms energy: -604.973002 where: bonds (distance) C4'-P energy: -108.998 bonds (distance) P-C4' energy: -113.866 flat angles C4'-P-C4' energy: -137.920 flat angles P-C4'-P energy: -85.824 tors. eta vs tors. theta energy: -158.364 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: 417 Temperature: 1.100000 Total energy: -1887.194870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.194870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.194870 (E_RNA) where: Base-Base interactions energy: -1322.308 where: short stacking energy: -533.530 Base-Backbone interact. energy: -3.618 local terms energy: -561.268989 where: bonds (distance) C4'-P energy: -103.316 bonds (distance) P-C4' energy: -97.575 flat angles C4'-P-C4' energy: -120.896 flat angles P-C4'-P energy: -86.090 tors. eta vs tors. theta energy: -153.392 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: 6 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1801.882658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.882658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.882658 (E_RNA) where: Base-Base interactions energy: -1263.613 where: short stacking energy: -552.683 Base-Backbone interact. energy: -2.576 local terms energy: -535.694011 where: bonds (distance) C4'-P energy: -105.295 bonds (distance) P-C4' energy: -90.873 flat angles C4'-P-C4' energy: -111.906 flat angles P-C4'-P energy: -75.235 tors. eta vs tors. theta energy: -152.385 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: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1697.657109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.657109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.657109 (E_RNA) where: Base-Base interactions energy: -1147.449 where: short stacking energy: -487.810 Base-Backbone interact. energy: 1.607 local terms energy: -551.814916 where: bonds (distance) C4'-P energy: -113.718 bonds (distance) P-C4' energy: -107.275 flat angles C4'-P-C4' energy: -115.976 flat angles P-C4'-P energy: -87.607 tors. eta vs tors. theta energy: -127.239 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: 2 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1258.832788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.832788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.832788 (E_RNA) where: Base-Base interactions energy: -780.073 where: short stacking energy: -358.480 Base-Backbone interact. energy: -2.937 local terms energy: -475.822433 where: bonds (distance) C4'-P energy: -120.460 bonds (distance) P-C4' energy: -123.713 flat angles C4'-P-C4' energy: -105.337 flat angles P-C4'-P energy: -63.940 tors. eta vs tors. theta energy: -62.372 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: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -990.421122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.421122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.421122 (E_RNA) where: Base-Base interactions energy: -578.331 where: short stacking energy: -284.539 Base-Backbone interact. energy: 2.268 local terms energy: -414.358243 where: bonds (distance) C4'-P energy: -102.521 bonds (distance) P-C4' energy: -108.531 flat angles C4'-P-C4' energy: -102.648 flat angles P-C4'-P energy: -58.142 tors. eta vs tors. theta energy: -42.516 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: 3 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -907.999587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.999587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.999587 (E_RNA) where: Base-Base interactions energy: -544.975 where: short stacking energy: -261.963 Base-Backbone interact. energy: -3.930 local terms energy: -359.094919 where: bonds (distance) C4'-P energy: -91.405 bonds (distance) P-C4' energy: -105.140 flat angles C4'-P-C4' energy: -90.685 flat angles P-C4'-P energy: -45.667 tors. eta vs tors. theta energy: -26.198 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: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2298.828009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.828009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.828009 (E_RNA) where: Base-Base interactions energy: -1617.640 where: short stacking energy: -632.876 Base-Backbone interact. energy: -6.321 local terms energy: -674.867312 where: bonds (distance) C4'-P energy: -112.133 bonds (distance) P-C4' energy: -127.226 flat angles C4'-P-C4' energy: -146.626 flat angles P-C4'-P energy: -101.790 tors. eta vs tors. theta energy: -187.092 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: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2160.186110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.186110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.186110 (E_RNA) where: Base-Base interactions energy: -1473.294 where: short stacking energy: -635.484 Base-Backbone interact. energy: -0.790 local terms energy: -686.101939 where: bonds (distance) C4'-P energy: -128.102 bonds (distance) P-C4' energy: -130.480 flat angles C4'-P-C4' energy: -141.104 flat angles P-C4'-P energy: -85.075 tors. eta vs tors. theta energy: -201.341 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: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2122.212771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.212771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.212771 (E_RNA) where: Base-Base interactions energy: -1488.939 where: short stacking energy: -626.988 Base-Backbone interact. energy: -4.939 local terms energy: -628.334226 where: bonds (distance) C4'-P energy: -102.263 bonds (distance) P-C4' energy: -100.781 flat angles C4'-P-C4' energy: -135.491 flat angles P-C4'-P energy: -107.011 tors. eta vs tors. theta energy: -182.788 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: 8 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1916.878880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.878880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.878880 (E_RNA) where: Base-Base interactions energy: -1303.268 where: short stacking energy: -534.126 Base-Backbone interact. energy: -2.145 local terms energy: -611.465441 where: bonds (distance) C4'-P energy: -127.533 bonds (distance) P-C4' energy: -112.988 flat angles C4'-P-C4' energy: -129.117 flat angles P-C4'-P energy: -88.634 tors. eta vs tors. theta energy: -153.193 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: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1913.009901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.009901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.009901 (E_RNA) where: Base-Base interactions energy: -1331.378 where: short stacking energy: -570.440 Base-Backbone interact. energy: -1.502 local terms energy: -580.129596 where: bonds (distance) C4'-P energy: -100.800 bonds (distance) P-C4' energy: -108.902 flat angles C4'-P-C4' energy: -129.009 flat angles P-C4'-P energy: -79.083 tors. eta vs tors. theta energy: -162.335 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: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1759.314719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.314719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.314719 (E_RNA) where: Base-Base interactions energy: -1200.606 where: short stacking energy: -512.868 Base-Backbone interact. energy: -4.830 local terms energy: -553.879188 where: bonds (distance) C4'-P energy: -99.491 bonds (distance) P-C4' energy: -120.657 flat angles C4'-P-C4' energy: -114.824 flat angles P-C4'-P energy: -66.793 tors. eta vs tors. theta energy: -152.115 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: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1711.761513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.761513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.761513 (E_RNA) where: Base-Base interactions energy: -1201.903 where: short stacking energy: -500.421 Base-Backbone interact. energy: 0.580 local terms energy: -510.438906 where: bonds (distance) C4'-P energy: -92.963 bonds (distance) P-C4' energy: -116.172 flat angles C4'-P-C4' energy: -102.626 flat angles P-C4'-P energy: -59.646 tors. eta vs tors. theta energy: -139.032 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: 8, replica: 2 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1211.993733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.993733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.993733 (E_RNA) where: Base-Base interactions energy: -769.097 where: short stacking energy: -331.673 Base-Backbone interact. energy: -0.411 local terms energy: -442.485500 where: bonds (distance) C4'-P energy: -98.432 bonds (distance) P-C4' energy: -98.217 flat angles C4'-P-C4' energy: -102.320 flat angles P-C4'-P energy: -73.447 tors. eta vs tors. theta energy: -70.070 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: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -913.784189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.784189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.784189 (E_RNA) where: Base-Base interactions energy: -535.697 where: short stacking energy: -252.424 Base-Backbone interact. energy: 2.162 local terms energy: -380.249286 where: bonds (distance) C4'-P energy: -103.642 bonds (distance) P-C4' energy: -109.180 flat angles C4'-P-C4' energy: -107.462 flat angles P-C4'-P energy: -39.900 tors. eta vs tors. theta energy: -20.066 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: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -899.609167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.609167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.609167 (E_RNA) where: Base-Base interactions energy: -532.274 where: short stacking energy: -251.901 Base-Backbone interact. energy: 0.970 local terms energy: -368.305436 where: bonds (distance) C4'-P energy: -100.609 bonds (distance) P-C4' energy: -79.991 flat angles C4'-P-C4' energy: -83.550 flat angles P-C4'-P energy: -71.610 tors. eta vs tors. theta energy: -32.546 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: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2299.281650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.281650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.281650 (E_RNA) where: Base-Base interactions energy: -1647.071 where: short stacking energy: -654.300 Base-Backbone interact. energy: -0.544 local terms energy: -651.666737 where: bonds (distance) C4'-P energy: -120.806 bonds (distance) P-C4' energy: -114.976 flat angles C4'-P-C4' energy: -139.588 flat angles P-C4'-P energy: -98.159 tors. eta vs tors. theta energy: -178.138 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: 2, replica: 7 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2173.617712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.617712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.617712 (E_RNA) where: Base-Base interactions energy: -1496.739 where: short stacking energy: -644.758 Base-Backbone interact. energy: -4.302 local terms energy: -672.576942 where: bonds (distance) C4'-P energy: -109.628 bonds (distance) P-C4' energy: -126.844 flat angles C4'-P-C4' energy: -141.472 flat angles P-C4'-P energy: -94.306 tors. eta vs tors. theta energy: -200.327 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: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2079.334020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.334020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.334020 (E_RNA) where: Base-Base interactions energy: -1431.535 where: short stacking energy: -609.414 Base-Backbone interact. energy: 1.567 local terms energy: -649.366624 where: bonds (distance) C4'-P energy: -119.463 bonds (distance) P-C4' energy: -116.769 flat angles C4'-P-C4' energy: -135.374 flat angles P-C4'-P energy: -100.505 tors. eta vs tors. theta energy: -177.255 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: 4 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1963.285240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.285240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.285240 (E_RNA) where: Base-Base interactions energy: -1331.943 where: short stacking energy: -589.094 Base-Backbone interact. energy: -1.070 local terms energy: -630.272717 where: bonds (distance) C4'-P energy: -115.512 bonds (distance) P-C4' energy: -106.322 flat angles C4'-P-C4' energy: -137.780 flat angles P-C4'-P energy: -91.381 tors. eta vs tors. theta energy: -179.278 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: 8 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1913.512596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.512596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.512596 (E_RNA) where: Base-Base interactions energy: -1292.174 where: short stacking energy: -579.373 Base-Backbone interact. energy: -3.721 local terms energy: -617.617650 where: bonds (distance) C4'-P energy: -118.270 bonds (distance) P-C4' energy: -117.075 flat angles C4'-P-C4' energy: -136.016 flat angles P-C4'-P energy: -84.808 tors. eta vs tors. theta energy: -161.449 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: 6, replica: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1718.519533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.519533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.519533 (E_RNA) where: Base-Base interactions energy: -1160.284 where: short stacking energy: -479.697 Base-Backbone interact. energy: -0.672 local terms energy: -557.563962 where: bonds (distance) C4'-P energy: -112.127 bonds (distance) P-C4' energy: -114.668 flat angles C4'-P-C4' energy: -118.526 flat angles P-C4'-P energy: -93.838 tors. eta vs tors. theta energy: -118.405 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: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1638.054077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.054077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.054077 (E_RNA) where: Base-Base interactions energy: -1082.761 where: short stacking energy: -464.925 Base-Backbone interact. energy: 0.173 local terms energy: -555.465994 where: bonds (distance) C4'-P energy: -112.485 bonds (distance) P-C4' energy: -116.042 flat angles C4'-P-C4' energy: -111.085 flat angles P-C4'-P energy: -79.347 tors. eta vs tors. theta energy: -136.507 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: 8, replica: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1215.505897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.505897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.505897 (E_RNA) where: Base-Base interactions energy: -763.997 where: short stacking energy: -354.513 Base-Backbone interact. energy: 0.628 local terms energy: -452.137079 where: bonds (distance) C4'-P energy: -98.303 bonds (distance) P-C4' energy: -117.333 flat angles C4'-P-C4' energy: -102.295 flat angles P-C4'-P energy: -56.715 tors. eta vs tors. theta energy: -77.490 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: 9, replica: 5 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -991.806939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.806939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.806939 (E_RNA) where: Base-Base interactions energy: -563.515 where: short stacking energy: -297.901 Base-Backbone interact. energy: 1.640 local terms energy: -429.931746 where: bonds (distance) C4'-P energy: -106.574 bonds (distance) P-C4' energy: -105.820 flat angles C4'-P-C4' energy: -94.410 flat angles P-C4'-P energy: -75.960 tors. eta vs tors. theta energy: -47.168 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: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -907.698950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.698950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.698950 (E_RNA) where: Base-Base interactions energy: -536.339 where: short stacking energy: -271.256 Base-Backbone interact. energy: 4.024 local terms energy: -375.384592 where: bonds (distance) C4'-P energy: -95.072 bonds (distance) P-C4' energy: -114.415 flat angles C4'-P-C4' energy: -87.930 flat angles P-C4'-P energy: -50.998 tors. eta vs tors. theta energy: -26.971 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: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2322.438613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.438613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.438613 (E_RNA) where: Base-Base interactions energy: -1629.438 where: short stacking energy: -628.604 Base-Backbone interact. energy: -5.457 local terms energy: -687.543498 where: bonds (distance) C4'-P energy: -129.581 bonds (distance) P-C4' energy: -124.815 flat angles C4'-P-C4' energy: -149.971 flat angles P-C4'-P energy: -96.765 tors. eta vs tors. theta energy: -186.412 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: 7 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2175.689187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.689187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.689187 (E_RNA) where: Base-Base interactions energy: -1488.379 where: short stacking energy: -626.878 Base-Backbone interact. energy: -2.758 local terms energy: -684.552081 where: bonds (distance) C4'-P energy: -118.939 bonds (distance) P-C4' energy: -118.625 flat angles C4'-P-C4' energy: -148.481 flat angles P-C4'-P energy: -97.937 tors. eta vs tors. theta energy: -200.570 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: 3, replica: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2074.037962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.037962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.037962 (E_RNA) where: Base-Base interactions energy: -1441.181 where: short stacking energy: -601.173 Base-Backbone interact. energy: 0.128 local terms energy: -632.985196 where: bonds (distance) C4'-P energy: -122.721 bonds (distance) P-C4' energy: -123.735 flat angles C4'-P-C4' energy: -130.949 flat angles P-C4'-P energy: -82.699 tors. eta vs tors. theta energy: -172.882 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: 4 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1981.485312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.485312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.485312 (E_RNA) where: Base-Base interactions energy: -1332.223 where: short stacking energy: -554.257 Base-Backbone interact. energy: -2.903 local terms energy: -646.359223 where: bonds (distance) C4'-P energy: -120.497 bonds (distance) P-C4' energy: -131.557 flat angles C4'-P-C4' energy: -124.003 flat angles P-C4'-P energy: -88.343 tors. eta vs tors. theta energy: -181.959 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: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1906.630694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.630694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.630694 (E_RNA) where: Base-Base interactions energy: -1292.129 where: short stacking energy: -549.999 Base-Backbone interact. energy: -0.376 local terms energy: -614.126243 where: bonds (distance) C4'-P energy: -113.234 bonds (distance) P-C4' energy: -109.641 flat angles C4'-P-C4' energy: -132.183 flat angles P-C4'-P energy: -81.096 tors. eta vs tors. theta energy: -177.972 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: 6 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1726.124718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.124718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.124718 (E_RNA) where: Base-Base interactions energy: -1163.335 where: short stacking energy: -477.061 Base-Backbone interact. energy: -0.769 local terms energy: -562.021146 where: bonds (distance) C4'-P energy: -111.732 bonds (distance) P-C4' energy: -115.303 flat angles C4'-P-C4' energy: -116.050 flat angles P-C4'-P energy: -84.083 tors. eta vs tors. theta energy: -134.854 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: 7, replica: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1675.895124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.895124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.895124 (E_RNA) where: Base-Base interactions energy: -1104.237 where: short stacking energy: -475.627 Base-Backbone interact. energy: 0.068 local terms energy: -571.726366 where: bonds (distance) C4'-P energy: -128.706 bonds (distance) P-C4' energy: -115.996 flat angles C4'-P-C4' energy: -113.983 flat angles P-C4'-P energy: -81.782 tors. eta vs tors. theta energy: -131.259 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: 2 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1311.353877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.353877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.353877 (E_RNA) where: Base-Base interactions energy: -865.236 where: short stacking energy: -372.957 Base-Backbone interact. energy: -2.643 local terms energy: -443.474916 where: bonds (distance) C4'-P energy: -78.324 bonds (distance) P-C4' energy: -109.171 flat angles C4'-P-C4' energy: -107.802 flat angles P-C4'-P energy: -70.186 tors. eta vs tors. theta energy: -77.991 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: 9, replica: 3 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -899.335376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.335376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.335376 (E_RNA) where: Base-Base interactions energy: -502.227 where: short stacking energy: -242.418 Base-Backbone interact. energy: -1.430 local terms energy: -395.678439 where: bonds (distance) C4'-P energy: -112.468 bonds (distance) P-C4' energy: -107.614 flat angles C4'-P-C4' energy: -90.786 flat angles P-C4'-P energy: -70.578 tors. eta vs tors. theta energy: -14.233 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: 10, replica: 5 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -889.054368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.054368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.054368 (E_RNA) where: Base-Base interactions energy: -530.552 where: short stacking energy: -272.612 Base-Backbone interact. energy: 1.028 local terms energy: -359.530396 where: bonds (distance) C4'-P energy: -87.704 bonds (distance) P-C4' energy: -102.634 flat angles C4'-P-C4' energy: -87.095 flat angles P-C4'-P energy: -56.098 tors. eta vs tors. theta energy: -26.000 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: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2275.005339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.005339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.005339 (E_RNA) where: Base-Base interactions energy: -1627.389 where: short stacking energy: -627.332 Base-Backbone interact. energy: -2.720 local terms energy: -644.896393 where: bonds (distance) C4'-P energy: -115.284 bonds (distance) P-C4' energy: -117.459 flat angles C4'-P-C4' energy: -144.822 flat angles P-C4'-P energy: -86.926 tors. eta vs tors. theta energy: -180.404 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: 2, replica: 7 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2177.541361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.541361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.541361 (E_RNA) where: Base-Base interactions energy: -1500.592 where: short stacking energy: -634.813 Base-Backbone interact. energy: -2.376 local terms energy: -674.574054 where: bonds (distance) C4'-P energy: -120.493 bonds (distance) P-C4' energy: -117.336 flat angles C4'-P-C4' energy: -153.092 flat angles P-C4'-P energy: -91.585 tors. eta vs tors. theta energy: -192.068 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: 3, replica: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2084.587528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.587528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.587528 (E_RNA) where: Base-Base interactions energy: -1462.271 where: short stacking energy: -623.256 Base-Backbone interact. energy: -4.731 local terms energy: -617.586424 where: bonds (distance) C4'-P energy: -113.807 bonds (distance) P-C4' energy: -115.881 flat angles C4'-P-C4' energy: -136.489 flat angles P-C4'-P energy: -68.716 tors. eta vs tors. theta energy: -182.693 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: 4 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1955.628947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.628947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.628947 (E_RNA) where: Base-Base interactions energy: -1328.435 where: short stacking energy: -546.656 Base-Backbone interact. energy: 5.899 local terms energy: -633.093317 where: bonds (distance) C4'-P energy: -120.204 bonds (distance) P-C4' energy: -122.890 flat angles C4'-P-C4' energy: -138.864 flat angles P-C4'-P energy: -79.984 tors. eta vs tors. theta energy: -171.151 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: 5, replica: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1903.755371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.755371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.755371 (E_RNA) where: Base-Base interactions energy: -1308.961 where: short stacking energy: -558.740 Base-Backbone interact. energy: 0.642 local terms energy: -595.436820 where: bonds (distance) C4'-P energy: -95.571 bonds (distance) P-C4' energy: -115.634 flat angles C4'-P-C4' energy: -133.659 flat angles P-C4'-P energy: -86.513 tors. eta vs tors. theta energy: -164.060 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: 6, replica: 9 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1693.115996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.115996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.115996 (E_RNA) where: Base-Base interactions energy: -1119.466 where: short stacking energy: -486.331 Base-Backbone interact. energy: -3.220 local terms energy: -570.429903 where: bonds (distance) C4'-P energy: -119.963 bonds (distance) P-C4' energy: -96.188 flat angles C4'-P-C4' energy: -139.471 flat angles P-C4'-P energy: -71.587 tors. eta vs tors. theta energy: -143.220 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: 7, replica: 6 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1699.372675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.372675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.372675 (E_RNA) where: Base-Base interactions energy: -1177.349 where: short stacking energy: -479.336 Base-Backbone interact. energy: 0.606 local terms energy: -522.629654 where: bonds (distance) C4'-P energy: -90.109 bonds (distance) P-C4' energy: -115.794 flat angles C4'-P-C4' energy: -117.722 flat angles P-C4'-P energy: -60.409 tors. eta vs tors. theta energy: -138.596 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: 8, replica: 2 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1273.974600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.974600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.974600 (E_RNA) where: Base-Base interactions energy: -836.283 where: short stacking energy: -373.405 Base-Backbone interact. energy: 0.718 local terms energy: -438.409928 where: bonds (distance) C4'-P energy: -96.205 bonds (distance) P-C4' energy: -92.914 flat angles C4'-P-C4' energy: -115.094 flat angles P-C4'-P energy: -60.184 tors. eta vs tors. theta energy: -74.013 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: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -989.121129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.121129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.121129 (E_RNA) where: Base-Base interactions energy: -560.975 where: short stacking energy: -263.471 Base-Backbone interact. energy: -2.980 local terms energy: -425.166120 where: bonds (distance) C4'-P energy: -100.960 bonds (distance) P-C4' energy: -110.411 flat angles C4'-P-C4' energy: -102.872 flat angles P-C4'-P energy: -66.277 tors. eta vs tors. theta energy: -44.646 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: 10, replica: 5 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -938.728174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.728174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.728174 (E_RNA) where: Base-Base interactions energy: -561.321 where: short stacking energy: -273.934 Base-Backbone interact. energy: 4.317 local terms energy: -381.724865 where: bonds (distance) C4'-P energy: -101.991 bonds (distance) P-C4' energy: -86.531 flat angles C4'-P-C4' energy: -97.532 flat angles P-C4'-P energy: -68.168 tors. eta vs tors. theta energy: -27.503 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: 1, replica: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2270.669335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.669335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.669335 (E_RNA) where: Base-Base interactions energy: -1625.388 where: short stacking energy: -631.094 Base-Backbone interact. energy: 1.621 local terms energy: -646.902491 where: bonds (distance) C4'-P energy: -121.747 bonds (distance) P-C4' energy: -120.840 flat angles C4'-P-C4' energy: -131.314 flat angles P-C4'-P energy: -96.908 tors. eta vs tors. theta energy: -176.094 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: 7 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2145.303670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.303670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.303670 (E_RNA) where: Base-Base interactions energy: -1462.043 where: short stacking energy: -621.427 Base-Backbone interact. energy: -1.853 local terms energy: -681.407609 where: bonds (distance) C4'-P energy: -123.703 bonds (distance) P-C4' energy: -123.158 flat angles C4'-P-C4' energy: -143.377 flat angles P-C4'-P energy: -93.780 tors. eta vs tors. theta energy: -197.389 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: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2099.574116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.574116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.574116 (E_RNA) where: Base-Base interactions energy: -1464.031 where: short stacking energy: -609.763 Base-Backbone interact. energy: -2.547 local terms energy: -632.996784 where: bonds (distance) C4'-P energy: -125.953 bonds (distance) P-C4' energy: -116.937 flat angles C4'-P-C4' energy: -131.859 flat angles P-C4'-P energy: -88.100 tors. eta vs tors. theta energy: -170.148 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: 4, replica: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1930.170533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.170533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.170533 (E_RNA) where: Base-Base interactions energy: -1318.848 where: short stacking energy: -568.579 Base-Backbone interact. energy: -4.297 local terms energy: -607.025615 where: bonds (distance) C4'-P energy: -102.295 bonds (distance) P-C4' energy: -115.696 flat angles C4'-P-C4' energy: -124.469 flat angles P-C4'-P energy: -87.664 tors. eta vs tors. theta energy: -176.901 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: 5, replica: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1876.686061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.686061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.686061 (E_RNA) where: Base-Base interactions energy: -1292.253 where: short stacking energy: -551.919 Base-Backbone interact. energy: -1.932 local terms energy: -582.501776 where: bonds (distance) C4'-P energy: -105.920 bonds (distance) P-C4' energy: -107.994 flat angles C4'-P-C4' energy: -119.659 flat angles P-C4'-P energy: -85.187 tors. eta vs tors. theta energy: -163.743 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: 6, replica: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1713.087348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.087348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.087348 (E_RNA) where: Base-Base interactions energy: -1154.968 where: short stacking energy: -532.195 Base-Backbone interact. energy: -0.524 local terms energy: -557.595797 where: bonds (distance) C4'-P energy: -108.172 bonds (distance) P-C4' energy: -108.975 flat angles C4'-P-C4' energy: -108.443 flat angles P-C4'-P energy: -76.400 tors. eta vs tors. theta energy: -155.606 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: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1594.697508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.697508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.697508 (E_RNA) where: Base-Base interactions energy: -1065.090 where: short stacking energy: -449.193 Base-Backbone interact. energy: -0.431 local terms energy: -529.176194 where: bonds (distance) C4'-P energy: -109.608 bonds (distance) P-C4' energy: -104.711 flat angles C4'-P-C4' energy: -129.898 flat angles P-C4'-P energy: -78.431 tors. eta vs tors. theta energy: -106.528 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: 8, replica: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1274.802315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.802315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.802315 (E_RNA) where: Base-Base interactions energy: -799.555 where: short stacking energy: -351.474 Base-Backbone interact. energy: -2.914 local terms energy: -472.332915 where: bonds (distance) C4'-P energy: -118.271 bonds (distance) P-C4' energy: -103.071 flat angles C4'-P-C4' energy: -123.335 flat angles P-C4'-P energy: -52.952 tors. eta vs tors. theta energy: -74.705 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: 9, replica: 5 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -938.801722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.801722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.801722 (E_RNA) where: Base-Base interactions energy: -540.783 where: short stacking energy: -270.221 Base-Backbone interact. energy: -0.279 local terms energy: -397.740025 where: bonds (distance) C4'-P energy: -92.818 bonds (distance) P-C4' energy: -117.874 flat angles C4'-P-C4' energy: -92.086 flat angles P-C4'-P energy: -51.127 tors. eta vs tors. theta energy: -43.836 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: 10, replica: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -988.772295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.772295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.772295 (E_RNA) where: Base-Base interactions energy: -593.167 where: short stacking energy: -286.312 Base-Backbone interact. energy: -1.501 local terms energy: -394.104676 where: bonds (distance) C4'-P energy: -83.812 bonds (distance) P-C4' energy: -114.349 flat angles C4'-P-C4' energy: -112.252 flat angles P-C4'-P energy: -52.517 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: 1, replica: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2305.165280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.165280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.165280 (E_RNA) where: Base-Base interactions energy: -1633.053 where: short stacking energy: -644.658 Base-Backbone interact. energy: -1.366 local terms energy: -670.746202 where: bonds (distance) C4'-P energy: -118.153 bonds (distance) P-C4' energy: -125.711 flat angles C4'-P-C4' energy: -147.263 flat angles P-C4'-P energy: -97.397 tors. eta vs tors. theta energy: -182.222 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: 7 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2132.870328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.870328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.870328 (E_RNA) where: Base-Base interactions energy: -1457.410 where: short stacking energy: -635.833 Base-Backbone interact. energy: -0.765 local terms energy: -674.694422 where: bonds (distance) C4'-P energy: -125.046 bonds (distance) P-C4' energy: -120.077 flat angles C4'-P-C4' energy: -152.208 flat angles P-C4'-P energy: -86.519 tors. eta vs tors. theta energy: -190.844 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: 3, replica: 10 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2114.311778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.311778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.311778 (E_RNA) where: Base-Base interactions energy: -1466.732 where: short stacking energy: -610.424 Base-Backbone interact. energy: -2.496 local terms energy: -645.083576 where: bonds (distance) C4'-P energy: -121.185 bonds (distance) P-C4' energy: -120.584 flat angles C4'-P-C4' energy: -133.080 flat angles P-C4'-P energy: -88.063 tors. eta vs tors. theta energy: -182.172 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: 4 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1927.874692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.874692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.874692 (E_RNA) where: Base-Base interactions energy: -1327.792 where: short stacking energy: -555.004 Base-Backbone interact. energy: 7.303 local terms energy: -607.385448 where: bonds (distance) C4'-P energy: -115.739 bonds (distance) P-C4' energy: -109.337 flat angles C4'-P-C4' energy: -129.507 flat angles P-C4'-P energy: -80.021 tors. eta vs tors. theta energy: -172.781 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: 5, replica: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1868.276916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.276916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.276916 (E_RNA) where: Base-Base interactions energy: -1280.857 where: short stacking energy: -550.722 Base-Backbone interact. energy: -2.943 local terms energy: -584.477280 where: bonds (distance) C4'-P energy: -113.035 bonds (distance) P-C4' energy: -105.980 flat angles C4'-P-C4' energy: -121.686 flat angles P-C4'-P energy: -87.264 tors. eta vs tors. theta energy: -156.512 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: 9 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1697.669680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.669680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.669680 (E_RNA) where: Base-Base interactions energy: -1153.550 where: short stacking energy: -487.981 Base-Backbone interact. energy: 7.125 local terms energy: -551.244516 where: bonds (distance) C4'-P energy: -106.309 bonds (distance) P-C4' energy: -105.871 flat angles C4'-P-C4' energy: -116.031 flat angles P-C4'-P energy: -82.420 tors. eta vs tors. theta energy: -140.613 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: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1583.870553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.870553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.870553 (E_RNA) where: Base-Base interactions energy: -1077.294 where: short stacking energy: -440.694 Base-Backbone interact. energy: -0.471 local terms energy: -506.105031 where: bonds (distance) C4'-P energy: -101.009 bonds (distance) P-C4' energy: -102.111 flat angles C4'-P-C4' energy: -122.763 flat angles P-C4'-P energy: -70.856 tors. eta vs tors. theta energy: -109.366 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: 8, replica: 2 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1247.816826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.816826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.816826 (E_RNA) where: Base-Base interactions energy: -819.891 where: short stacking energy: -366.378 Base-Backbone interact. energy: -3.239 local terms energy: -424.687690 where: bonds (distance) C4'-P energy: -106.070 bonds (distance) P-C4' energy: -104.014 flat angles C4'-P-C4' energy: -95.389 flat angles P-C4'-P energy: -46.818 tors. eta vs tors. theta energy: -72.396 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: 9, replica: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -967.223934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.223934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.223934 (E_RNA) where: Base-Base interactions energy: -550.259 where: short stacking energy: -263.204 Base-Backbone interact. energy: -1.547 local terms energy: -415.418177 where: bonds (distance) C4'-P energy: -104.656 bonds (distance) P-C4' energy: -109.081 flat angles C4'-P-C4' energy: -108.695 flat angles P-C4'-P energy: -57.110 tors. eta vs tors. theta energy: -35.876 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: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -911.571523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.571523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.571523 (E_RNA) where: Base-Base interactions energy: -539.562 where: short stacking energy: -261.089 Base-Backbone interact. energy: 0.824 local terms energy: -372.833755 where: bonds (distance) C4'-P energy: -109.909 bonds (distance) P-C4' energy: -89.187 flat angles C4'-P-C4' energy: -93.978 flat angles P-C4'-P energy: -49.176 tors. eta vs tors. theta energy: -30.584 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: 1, replica: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2304.886004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.886004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.886004 (E_RNA) where: Base-Base interactions energy: -1611.747 where: short stacking energy: -620.753 Base-Backbone interact. energy: -3.088 local terms energy: -690.050660 where: bonds (distance) C4'-P energy: -130.905 bonds (distance) P-C4' energy: -125.934 flat angles C4'-P-C4' energy: -152.112 flat angles P-C4'-P energy: -99.653 tors. eta vs tors. theta energy: -181.446 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: 7 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2163.094924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.094924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.094924 (E_RNA) where: Base-Base interactions energy: -1476.844 where: short stacking energy: -635.847 Base-Backbone interact. energy: -2.278 local terms energy: -683.972779 where: bonds (distance) C4'-P energy: -112.332 bonds (distance) P-C4' energy: -137.277 flat angles C4'-P-C4' energy: -142.672 flat angles P-C4'-P energy: -90.730 tors. eta vs tors. theta energy: -200.962 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: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2084.193830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.193830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.193830 (E_RNA) where: Base-Base interactions energy: -1432.151 where: short stacking energy: -603.660 Base-Backbone interact. energy: -0.056 local terms energy: -651.986341 where: bonds (distance) C4'-P energy: -122.187 bonds (distance) P-C4' energy: -117.874 flat angles C4'-P-C4' energy: -136.792 flat angles P-C4'-P energy: -97.663 tors. eta vs tors. theta energy: -177.471 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: 4, replica: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1944.978235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.978235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.978235 (E_RNA) where: Base-Base interactions energy: -1343.995 where: short stacking energy: -575.105 Base-Backbone interact. energy: -0.549 local terms energy: -600.433720 where: bonds (distance) C4'-P energy: -118.060 bonds (distance) P-C4' energy: -108.107 flat angles C4'-P-C4' energy: -129.242 flat angles P-C4'-P energy: -72.384 tors. eta vs tors. theta energy: -172.640 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: 8 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1896.385050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.385050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.385050 (E_RNA) where: Base-Base interactions energy: -1299.444 where: short stacking energy: -544.506 Base-Backbone interact. energy: -1.726 local terms energy: -595.215505 where: bonds (distance) C4'-P energy: -115.159 bonds (distance) P-C4' energy: -108.163 flat angles C4'-P-C4' energy: -138.199 flat angles P-C4'-P energy: -77.362 tors. eta vs tors. theta energy: -156.333 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: 6, replica: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1745.948539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.948539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.948539 (E_RNA) where: Base-Base interactions energy: -1150.946 where: short stacking energy: -511.389 Base-Backbone interact. energy: 2.273 local terms energy: -597.275988 where: bonds (distance) C4'-P energy: -121.294 bonds (distance) P-C4' energy: -115.915 flat angles C4'-P-C4' energy: -122.772 flat angles P-C4'-P energy: -87.195 tors. eta vs tors. theta energy: -150.101 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: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1595.463665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.463665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.463665 (E_RNA) where: Base-Base interactions energy: -1090.161 where: short stacking energy: -439.827 Base-Backbone interact. energy: -0.424 local terms energy: -504.878335 where: bonds (distance) C4'-P energy: -99.763 bonds (distance) P-C4' energy: -106.249 flat angles C4'-P-C4' energy: -108.664 flat angles P-C4'-P energy: -80.196 tors. eta vs tors. theta energy: -110.006 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: 8, replica: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1273.467763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.467763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.467763 (E_RNA) where: Base-Base interactions energy: -804.659 where: short stacking energy: -360.528 Base-Backbone interact. energy: -0.121 local terms energy: -468.687209 where: bonds (distance) C4'-P energy: -96.237 bonds (distance) P-C4' energy: -119.366 flat angles C4'-P-C4' energy: -96.987 flat angles P-C4'-P energy: -72.907 tors. eta vs tors. theta energy: -83.190 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: 3 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -987.921330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.921330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.921330 (E_RNA) where: Base-Base interactions energy: -585.305 where: short stacking energy: -277.388 Base-Backbone interact. energy: -0.493 local terms energy: -402.123507 where: bonds (distance) C4'-P energy: -110.946 bonds (distance) P-C4' energy: -114.103 flat angles C4'-P-C4' energy: -79.093 flat angles P-C4'-P energy: -57.955 tors. eta vs tors. theta energy: -40.026 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: 10, replica: 5 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -912.911633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.911633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.911633 (E_RNA) where: Base-Base interactions energy: -544.414 where: short stacking energy: -280.916 Base-Backbone interact. energy: -1.389 local terms energy: -367.108988 where: bonds (distance) C4'-P energy: -101.114 bonds (distance) P-C4' energy: -87.462 flat angles C4'-P-C4' energy: -84.899 flat angles P-C4'-P energy: -65.887 tors. eta vs tors. theta energy: -27.748 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: 1, replica: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2312.110584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.110584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.110584 (E_RNA) where: Base-Base interactions energy: -1618.985 where: short stacking energy: -638.646 Base-Backbone interact. energy: -7.106 local terms energy: -686.019317 where: bonds (distance) C4'-P energy: -132.602 bonds (distance) P-C4' energy: -120.865 flat angles C4'-P-C4' energy: -148.017 flat angles P-C4'-P energy: -101.244 tors. eta vs tors. theta energy: -183.293 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: 2, replica: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2184.818569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.818569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.818569 (E_RNA) where: Base-Base interactions energy: -1470.357 where: short stacking energy: -640.727 Base-Backbone interact. energy: -3.182 local terms energy: -711.279617 where: bonds (distance) C4'-P energy: -124.708 bonds (distance) P-C4' energy: -133.206 flat angles C4'-P-C4' energy: -144.316 flat angles P-C4'-P energy: -114.022 tors. eta vs tors. theta energy: -195.027 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: 3, replica: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2109.361507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.361507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.361507 (E_RNA) where: Base-Base interactions energy: -1466.873 where: short stacking energy: -612.242 Base-Backbone interact. energy: -2.244 local terms energy: -640.244655 where: bonds (distance) C4'-P energy: -110.574 bonds (distance) P-C4' energy: -110.636 flat angles C4'-P-C4' energy: -144.678 flat angles P-C4'-P energy: -95.826 tors. eta vs tors. theta energy: -178.531 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: 4, replica: 4 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1950.445046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.445046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.445046 (E_RNA) where: Base-Base interactions energy: -1334.820 where: short stacking energy: -562.312 Base-Backbone interact. energy: -5.482 local terms energy: -610.142620 where: bonds (distance) C4'-P energy: -105.910 bonds (distance) P-C4' energy: -112.282 flat angles C4'-P-C4' energy: -140.091 flat angles P-C4'-P energy: -84.281 tors. eta vs tors. theta energy: -167.578 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: 8 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1888.906297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.906297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.906297 (E_RNA) where: Base-Base interactions energy: -1290.843 where: short stacking energy: -526.110 Base-Backbone interact. energy: -2.626 local terms energy: -595.437317 where: bonds (distance) C4'-P energy: -110.426 bonds (distance) P-C4' energy: -108.927 flat angles C4'-P-C4' energy: -125.618 flat angles P-C4'-P energy: -94.684 tors. eta vs tors. theta energy: -155.783 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: 6, replica: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1753.397252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.397252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.397252 (E_RNA) where: Base-Base interactions energy: -1168.611 where: short stacking energy: -492.952 Base-Backbone interact. energy: -1.687 local terms energy: -583.099268 where: bonds (distance) C4'-P energy: -117.809 bonds (distance) P-C4' energy: -115.919 flat angles C4'-P-C4' energy: -137.448 flat angles P-C4'-P energy: -76.738 tors. eta vs tors. theta energy: -135.185 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: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1600.147312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.147312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.147312 (E_RNA) where: Base-Base interactions energy: -1082.649 where: short stacking energy: -451.819 Base-Backbone interact. energy: -1.001 local terms energy: -516.497921 where: bonds (distance) C4'-P energy: -104.954 bonds (distance) P-C4' energy: -114.246 flat angles C4'-P-C4' energy: -112.997 flat angles P-C4'-P energy: -78.109 tors. eta vs tors. theta energy: -106.192 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: 8, replica: 2 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1274.175249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.175249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.175249 (E_RNA) where: Base-Base interactions energy: -810.302 where: short stacking energy: -357.925 Base-Backbone interact. energy: 0.996 local terms energy: -464.869560 where: bonds (distance) C4'-P energy: -91.335 bonds (distance) P-C4' energy: -106.246 flat angles C4'-P-C4' energy: -106.189 flat angles P-C4'-P energy: -73.068 tors. eta vs tors. theta energy: -88.031 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: 9, replica: 3 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -935.300916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.300916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.300916 (E_RNA) where: Base-Base interactions energy: -544.290 where: short stacking energy: -274.236 Base-Backbone interact. energy: 2.837 local terms energy: -393.848287 where: bonds (distance) C4'-P energy: -99.400 bonds (distance) P-C4' energy: -105.339 flat angles C4'-P-C4' energy: -103.387 flat angles P-C4'-P energy: -68.179 tors. eta vs tors. theta energy: -17.542 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: 10, replica: 5 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -906.523142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.523142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.523142 (E_RNA) where: Base-Base interactions energy: -518.596 where: short stacking energy: -249.826 Base-Backbone interact. energy: 0.116 local terms energy: -388.042683 where: bonds (distance) C4'-P energy: -109.094 bonds (distance) P-C4' energy: -94.236 flat angles C4'-P-C4' energy: -99.762 flat angles P-C4'-P energy: -61.101 tors. eta vs tors. theta energy: -23.850 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: 1, replica: 1 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2280.144710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.144710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.144710 (E_RNA) where: Base-Base interactions energy: -1607.829 where: short stacking energy: -636.481 Base-Backbone interact. energy: -3.431 local terms energy: -668.884858 where: bonds (distance) C4'-P energy: -120.844 bonds (distance) P-C4' energy: -120.716 flat angles C4'-P-C4' energy: -151.657 flat angles P-C4'-P energy: -91.833 tors. eta vs tors. theta energy: -183.835 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: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2153.143398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.143398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.143398 (E_RNA) where: Base-Base interactions energy: -1479.893 where: short stacking energy: -628.210 Base-Backbone interact. energy: -2.720 local terms energy: -670.530757 where: bonds (distance) C4'-P energy: -131.172 bonds (distance) P-C4' energy: -115.025 flat angles C4'-P-C4' energy: -139.819 flat angles P-C4'-P energy: -94.344 tors. eta vs tors. theta energy: -190.171 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: 3, replica: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2125.849015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.849015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.849015 (E_RNA) where: Base-Base interactions energy: -1462.518 where: short stacking energy: -606.632 Base-Backbone interact. energy: -2.179 local terms energy: -661.151984 where: bonds (distance) C4'-P energy: -134.894 bonds (distance) P-C4' energy: -109.703 flat angles C4'-P-C4' energy: -145.546 flat angles P-C4'-P energy: -87.856 tors. eta vs tors. theta energy: -183.154 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: 4, replica: 4 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1914.407821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.407821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.407821 (E_RNA) where: Base-Base interactions energy: -1307.801 where: short stacking energy: -550.930 Base-Backbone interact. energy: -0.355 local terms energy: -606.252126 where: bonds (distance) C4'-P energy: -125.793 bonds (distance) P-C4' energy: -123.106 flat angles C4'-P-C4' energy: -135.537 flat angles P-C4'-P energy: -66.576 tors. eta vs tors. theta energy: -155.240 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: 5, replica: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1915.114102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.114102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.114102 (E_RNA) where: Base-Base interactions energy: -1332.453 where: short stacking energy: -576.286 Base-Backbone interact. energy: -1.973 local terms energy: -580.688081 where: bonds (distance) C4'-P energy: -106.622 bonds (distance) P-C4' energy: -96.255 flat angles C4'-P-C4' energy: -130.088 flat angles P-C4'-P energy: -82.496 tors. eta vs tors. theta energy: -165.227 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: 6, replica: 9 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1750.227214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.227214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.227214 (E_RNA) where: Base-Base interactions energy: -1169.885 where: short stacking energy: -510.369 Base-Backbone interact. energy: -0.022 local terms energy: -580.320557 where: bonds (distance) C4'-P energy: -107.869 bonds (distance) P-C4' energy: -121.014 flat angles C4'-P-C4' energy: -129.590 flat angles P-C4'-P energy: -81.442 tors. eta vs tors. theta energy: -140.406 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: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1524.598537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.598537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.598537 (E_RNA) where: Base-Base interactions energy: -1014.863 where: short stacking energy: -431.928 Base-Backbone interact. energy: -0.059 local terms energy: -509.676256 where: bonds (distance) C4'-P energy: -108.595 bonds (distance) P-C4' energy: -87.938 flat angles C4'-P-C4' energy: -124.629 flat angles P-C4'-P energy: -81.253 tors. eta vs tors. theta energy: -107.261 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: 2 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1283.925520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.925520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.925520 (E_RNA) where: Base-Base interactions energy: -839.247 where: short stacking energy: -368.966 Base-Backbone interact. energy: -1.259 local terms energy: -443.419581 where: bonds (distance) C4'-P energy: -94.324 bonds (distance) P-C4' energy: -111.298 flat angles C4'-P-C4' energy: -94.958 flat angles P-C4'-P energy: -66.043 tors. eta vs tors. theta energy: -76.796 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: 9, replica: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -964.308087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.308087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.308087 (E_RNA) where: Base-Base interactions energy: -562.445 where: short stacking energy: -270.943 Base-Backbone interact. energy: 1.011 local terms energy: -402.873979 where: bonds (distance) C4'-P energy: -106.065 bonds (distance) P-C4' energy: -103.773 flat angles C4'-P-C4' energy: -103.088 flat angles P-C4'-P energy: -41.112 tors. eta vs tors. theta energy: -48.837 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: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -889.709087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.709087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.709087 (E_RNA) where: Base-Base interactions energy: -499.837 where: short stacking energy: -248.134 Base-Backbone interact. energy: 0.135 local terms energy: -390.007372 where: bonds (distance) C4'-P energy: -106.639 bonds (distance) P-C4' energy: -99.929 flat angles C4'-P-C4' energy: -93.906 flat angles P-C4'-P energy: -66.668 tors. eta vs tors. theta energy: -22.865 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: 1, replica: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2283.413843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.413843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.413843 (E_RNA) where: Base-Base interactions energy: -1636.527 where: short stacking energy: -643.780 Base-Backbone interact. energy: -1.288 local terms energy: -645.598424 where: bonds (distance) C4'-P energy: -112.787 bonds (distance) P-C4' energy: -114.170 flat angles C4'-P-C4' energy: -132.605 flat angles P-C4'-P energy: -96.523 tors. eta vs tors. theta energy: -189.513 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: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2146.231616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.231616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.231616 (E_RNA) where: Base-Base interactions energy: -1459.457 where: short stacking energy: -620.445 Base-Backbone interact. energy: -2.748 local terms energy: -684.027063 where: bonds (distance) C4'-P energy: -122.899 bonds (distance) P-C4' energy: -127.880 flat angles C4'-P-C4' energy: -144.753 flat angles P-C4'-P energy: -93.582 tors. eta vs tors. theta energy: -194.912 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: 10 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2122.853952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.853952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.853952 (E_RNA) where: Base-Base interactions energy: -1480.117 where: short stacking energy: -611.303 Base-Backbone interact. energy: 0.034 local terms energy: -642.770374 where: bonds (distance) C4'-P energy: -111.983 bonds (distance) P-C4' energy: -107.407 flat angles C4'-P-C4' energy: -145.198 flat angles P-C4'-P energy: -98.921 tors. eta vs tors. theta energy: -179.262 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: 4, replica: 4 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1916.586324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.586324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.586324 (E_RNA) where: Base-Base interactions energy: -1303.308 where: short stacking energy: -569.507 Base-Backbone interact. energy: -2.198 local terms energy: -611.080255 where: bonds (distance) C4'-P energy: -119.205 bonds (distance) P-C4' energy: -120.341 flat angles C4'-P-C4' energy: -113.765 flat angles P-C4'-P energy: -82.728 tors. eta vs tors. theta energy: -175.042 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: 5, replica: 8 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1821.744400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.744400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.744400 (E_RNA) where: Base-Base interactions energy: -1238.220 where: short stacking energy: -533.065 Base-Backbone interact. energy: -1.537 local terms energy: -581.987703 where: bonds (distance) C4'-P energy: -115.176 bonds (distance) P-C4' energy: -122.263 flat angles C4'-P-C4' energy: -114.601 flat angles P-C4'-P energy: -80.171 tors. eta vs tors. theta energy: -149.776 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: 9 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1810.778622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.778622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.778622 (E_RNA) where: Base-Base interactions energy: -1219.614 where: short stacking energy: -518.698 Base-Backbone interact. energy: -1.102 local terms energy: -590.062636 where: bonds (distance) C4'-P energy: -120.258 bonds (distance) P-C4' energy: -112.004 flat angles C4'-P-C4' energy: -127.349 flat angles P-C4'-P energy: -80.730 tors. eta vs tors. theta energy: -149.723 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: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1577.130595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.130595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.130595 (E_RNA) where: Base-Base interactions energy: -1056.164 where: short stacking energy: -449.603 Base-Backbone interact. energy: -4.137 local terms energy: -516.829641 where: bonds (distance) C4'-P energy: -100.339 bonds (distance) P-C4' energy: -101.178 flat angles C4'-P-C4' energy: -122.963 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -116.943 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: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1220.158000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.158000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.158000 (E_RNA) where: Base-Base interactions energy: -779.172 where: short stacking energy: -355.606 Base-Backbone interact. energy: 5.182 local terms energy: -446.167694 where: bonds (distance) C4'-P energy: -87.640 bonds (distance) P-C4' energy: -101.613 flat angles C4'-P-C4' energy: -115.557 flat angles P-C4'-P energy: -81.500 tors. eta vs tors. theta energy: -59.858 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: 9, replica: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -966.722150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.722150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.722150 (E_RNA) where: Base-Base interactions energy: -576.284 where: short stacking energy: -293.425 Base-Backbone interact. energy: 2.373 local terms energy: -392.810624 where: bonds (distance) C4'-P energy: -97.645 bonds (distance) P-C4' energy: -98.838 flat angles C4'-P-C4' energy: -95.329 flat angles P-C4'-P energy: -56.875 tors. eta vs tors. theta energy: -44.124 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: 10, replica: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -915.483771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.483771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.483771 (E_RNA) where: Base-Base interactions energy: -505.912 where: short stacking energy: -253.383 Base-Backbone interact. energy: -2.527 local terms energy: -407.045542 where: bonds (distance) C4'-P energy: -84.924 bonds (distance) P-C4' energy: -108.999 flat angles C4'-P-C4' energy: -123.841 flat angles P-C4'-P energy: -56.232 tors. eta vs tors. theta energy: -33.049 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: 1, replica: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2305.208089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.208089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.208089 (E_RNA) where: Base-Base interactions energy: -1628.563 where: short stacking energy: -658.509 Base-Backbone interact. energy: -4.018 local terms energy: -672.627325 where: bonds (distance) C4'-P energy: -112.282 bonds (distance) P-C4' energy: -122.266 flat angles C4'-P-C4' energy: -148.623 flat angles P-C4'-P energy: -98.336 tors. eta vs tors. theta energy: -191.120 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: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2137.408564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.408564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.408564 (E_RNA) where: Base-Base interactions energy: -1481.362 where: short stacking energy: -618.352 Base-Backbone interact. energy: 3.251 local terms energy: -659.297852 where: bonds (distance) C4'-P energy: -111.692 bonds (distance) P-C4' energy: -111.982 flat angles C4'-P-C4' energy: -146.466 flat angles P-C4'-P energy: -100.062 tors. eta vs tors. theta energy: -189.095 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: 10 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2159.134869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.134869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.134869 (E_RNA) where: Base-Base interactions energy: -1498.889 where: short stacking energy: -636.343 Base-Backbone interact. energy: -3.276 local terms energy: -656.969703 where: bonds (distance) C4'-P energy: -107.003 bonds (distance) P-C4' energy: -141.430 flat angles C4'-P-C4' energy: -135.109 flat angles P-C4'-P energy: -78.560 tors. eta vs tors. theta energy: -194.867 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: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1922.615049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.615049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.615049 (E_RNA) where: Base-Base interactions energy: -1304.220 where: short stacking energy: -542.005 Base-Backbone interact. energy: -3.835 local terms energy: -614.560057 where: bonds (distance) C4'-P energy: -111.396 bonds (distance) P-C4' energy: -119.069 flat angles C4'-P-C4' energy: -136.103 flat angles P-C4'-P energy: -92.256 tors. eta vs tors. theta energy: -155.736 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: 5, replica: 8 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1861.429207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.429207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.429207 (E_RNA) where: Base-Base interactions energy: -1257.398 where: short stacking energy: -522.410 Base-Backbone interact. energy: -4.071 local terms energy: -599.960183 where: bonds (distance) C4'-P energy: -97.293 bonds (distance) P-C4' energy: -118.667 flat angles C4'-P-C4' energy: -137.147 flat angles P-C4'-P energy: -87.480 tors. eta vs tors. theta energy: -159.372 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: 6, replica: 9 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1791.393993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.393993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.393993 (E_RNA) where: Base-Base interactions energy: -1228.615 where: short stacking energy: -496.362 Base-Backbone interact. energy: -1.705 local terms energy: -561.073871 where: bonds (distance) C4'-P energy: -99.706 bonds (distance) P-C4' energy: -95.648 flat angles C4'-P-C4' energy: -133.729 flat angles P-C4'-P energy: -77.111 tors. eta vs tors. theta energy: -154.880 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: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1609.977577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.977577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.977577 (E_RNA) where: Base-Base interactions energy: -1100.298 where: short stacking energy: -483.629 Base-Backbone interact. energy: -0.899 local terms energy: -508.779931 where: bonds (distance) C4'-P energy: -92.411 bonds (distance) P-C4' energy: -91.236 flat angles C4'-P-C4' energy: -116.562 flat angles P-C4'-P energy: -69.381 tors. eta vs tors. theta energy: -139.189 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: 8, replica: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1240.416514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.416514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.416514 (E_RNA) where: Base-Base interactions energy: -791.314 where: short stacking energy: -351.453 Base-Backbone interact. energy: -0.945 local terms energy: -448.157797 where: bonds (distance) C4'-P energy: -101.815 bonds (distance) P-C4' energy: -90.536 flat angles C4'-P-C4' energy: -112.916 flat angles P-C4'-P energy: -80.248 tors. eta vs tors. theta energy: -62.642 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: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -976.083484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.083484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.083484 (E_RNA) where: Base-Base interactions energy: -571.674 where: short stacking energy: -270.763 Base-Backbone interact. energy: -1.588 local terms energy: -402.820758 where: bonds (distance) C4'-P energy: -103.092 bonds (distance) P-C4' energy: -98.772 flat angles C4'-P-C4' energy: -103.688 flat angles P-C4'-P energy: -68.165 tors. eta vs tors. theta energy: -29.105 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: 10, replica: 3 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -875.657958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.657958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.657958 (E_RNA) where: Base-Base interactions energy: -526.264 where: short stacking energy: -240.258 Base-Backbone interact. energy: 0.977 local terms energy: -350.371425 where: bonds (distance) C4'-P energy: -117.182 bonds (distance) P-C4' energy: -71.665 flat angles C4'-P-C4' energy: -90.942 flat angles P-C4'-P energy: -56.018 tors. eta vs tors. theta energy: -14.565 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: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2279.276635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.276635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.276635 (E_RNA) where: Base-Base interactions energy: -1602.968 where: short stacking energy: -645.733 Base-Backbone interact. energy: -7.460 local terms energy: -668.848610 where: bonds (distance) C4'-P energy: -122.562 bonds (distance) P-C4' energy: -130.958 flat angles C4'-P-C4' energy: -148.736 flat angles P-C4'-P energy: -81.687 tors. eta vs tors. theta energy: -184.906 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: 2, replica: 10 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2193.880197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.880197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.880197 (E_RNA) where: Base-Base interactions energy: -1527.492 where: short stacking energy: -631.544 Base-Backbone interact. energy: -2.281 local terms energy: -664.107194 where: bonds (distance) C4'-P energy: -118.678 bonds (distance) P-C4' energy: -128.074 flat angles C4'-P-C4' energy: -134.789 flat angles P-C4'-P energy: -87.169 tors. eta vs tors. theta energy: -195.397 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: 3, replica: 7 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2112.847464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.847464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.847464 (E_RNA) where: Base-Base interactions energy: -1469.293 where: short stacking energy: -639.634 Base-Backbone interact. energy: -2.626 local terms energy: -640.928902 where: bonds (distance) C4'-P energy: -119.616 bonds (distance) P-C4' energy: -103.358 flat angles C4'-P-C4' energy: -138.462 flat angles P-C4'-P energy: -87.969 tors. eta vs tors. theta energy: -191.525 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: 4, replica: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1921.240799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.240799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.240799 (E_RNA) where: Base-Base interactions energy: -1311.394 where: short stacking energy: -521.943 Base-Backbone interact. energy: -0.138 local terms energy: -609.709009 where: bonds (distance) C4'-P energy: -125.101 bonds (distance) P-C4' energy: -114.344 flat angles C4'-P-C4' energy: -126.205 flat angles P-C4'-P energy: -93.134 tors. eta vs tors. theta energy: -150.925 Dist. restrs. and SS energy: 0.000 (S_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: 429 Temperature: 1.100000 Total energy: -1860.602863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.602863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.602863 (E_RNA) where: Base-Base interactions energy: -1265.895 where: short stacking energy: -568.979 Base-Backbone interact. energy: -0.505 local terms energy: -594.203210 where: bonds (distance) C4'-P energy: -102.802 bonds (distance) P-C4' energy: -121.265 flat angles C4'-P-C4' energy: -131.960 flat angles P-C4'-P energy: -77.346 tors. eta vs tors. theta energy: -160.830 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: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1794.645361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.645361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.645361 (E_RNA) where: Base-Base interactions energy: -1241.430 where: short stacking energy: -508.216 Base-Backbone interact. energy: -3.724 local terms energy: -549.491642 where: bonds (distance) C4'-P energy: -117.301 bonds (distance) P-C4' energy: -96.158 flat angles C4'-P-C4' energy: -116.796 flat angles P-C4'-P energy: -79.208 tors. eta vs tors. theta energy: -140.028 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: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1562.196435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.196435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.196435 (E_RNA) where: Base-Base interactions energy: -1038.252 where: short stacking energy: -448.883 Base-Backbone interact. energy: -4.758 local terms energy: -519.187215 where: bonds (distance) C4'-P energy: -96.368 bonds (distance) P-C4' energy: -104.254 flat angles C4'-P-C4' energy: -121.311 flat angles P-C4'-P energy: -69.982 tors. eta vs tors. theta energy: -127.272 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: 8, replica: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1226.741644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.741644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.741644 (E_RNA) where: Base-Base interactions energy: -792.378 where: short stacking energy: -345.223 Base-Backbone interact. energy: -0.688 local terms energy: -433.675826 where: bonds (distance) C4'-P energy: -104.743 bonds (distance) P-C4' energy: -97.501 flat angles C4'-P-C4' energy: -104.844 flat angles P-C4'-P energy: -63.165 tors. eta vs tors. theta energy: -63.423 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: 9, replica: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -892.052579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.052579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.052579 (E_RNA) where: Base-Base interactions energy: -533.705 where: short stacking energy: -262.404 Base-Backbone interact. energy: 2.438 local terms energy: -360.785378 where: bonds (distance) C4'-P energy: -102.110 bonds (distance) P-C4' energy: -97.030 flat angles C4'-P-C4' energy: -79.775 flat angles P-C4'-P energy: -57.030 tors. eta vs tors. theta energy: -24.840 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: 3 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -908.547179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.547179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.547179 (E_RNA) where: Base-Base interactions energy: -520.935 where: short stacking energy: -260.966 Base-Backbone interact. energy: 1.039 local terms energy: -388.651133 where: bonds (distance) C4'-P energy: -83.027 bonds (distance) P-C4' energy: -105.768 flat angles C4'-P-C4' energy: -102.595 flat angles P-C4'-P energy: -69.058 tors. eta vs tors. theta energy: -28.204 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: 1, replica: 1 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2266.762312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.762312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.762312 (E_RNA) where: Base-Base interactions energy: -1620.167 where: short stacking energy: -644.001 Base-Backbone interact. energy: -5.349 local terms energy: -641.246645 where: bonds (distance) C4'-P energy: -106.889 bonds (distance) P-C4' energy: -128.074 flat angles C4'-P-C4' energy: -137.596 flat angles P-C4'-P energy: -84.007 tors. eta vs tors. theta energy: -184.681 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: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2207.843765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.843765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.843765 (E_RNA) where: Base-Base interactions energy: -1539.611 where: short stacking energy: -652.795 Base-Backbone interact. energy: -3.251 local terms energy: -664.982445 where: bonds (distance) C4'-P energy: -105.898 bonds (distance) P-C4' energy: -138.186 flat angles C4'-P-C4' energy: -135.823 flat angles P-C4'-P energy: -95.251 tors. eta vs tors. theta energy: -189.824 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: 3, replica: 7 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2135.448699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.448699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.448699 (E_RNA) where: Base-Base interactions energy: -1468.174 where: short stacking energy: -614.898 Base-Backbone interact. energy: -5.064 local terms energy: -662.210991 where: bonds (distance) C4'-P energy: -113.108 bonds (distance) P-C4' energy: -120.411 flat angles C4'-P-C4' energy: -147.361 flat angles P-C4'-P energy: -84.750 tors. eta vs tors. theta energy: -196.582 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: 4, replica: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1911.318413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.318413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.318413 (E_RNA) where: Base-Base interactions energy: -1313.606 where: short stacking energy: -539.684 Base-Backbone interact. energy: -3.798 local terms energy: -593.914479 where: bonds (distance) C4'-P energy: -119.587 bonds (distance) P-C4' energy: -115.424 flat angles C4'-P-C4' energy: -116.696 flat angles P-C4'-P energy: -82.852 tors. eta vs tors. theta energy: -159.356 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: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1862.770471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.770471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.770471 (E_RNA) where: Base-Base interactions energy: -1242.769 where: short stacking energy: -536.919 Base-Backbone interact. energy: -4.014 local terms energy: -615.987750 where: bonds (distance) C4'-P energy: -113.051 bonds (distance) P-C4' energy: -123.302 flat angles C4'-P-C4' energy: -129.392 flat angles P-C4'-P energy: -90.994 tors. eta vs tors. theta energy: -159.249 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: 8 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1752.266149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.266149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.266149 (E_RNA) where: Base-Base interactions energy: -1206.521 where: short stacking energy: -546.592 Base-Backbone interact. energy: 7.187 local terms energy: -552.932575 where: bonds (distance) C4'-P energy: -92.715 bonds (distance) P-C4' energy: -99.766 flat angles C4'-P-C4' energy: -120.612 flat angles P-C4'-P energy: -79.713 tors. eta vs tors. theta energy: -160.126 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: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1559.317073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.317073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.317073 (E_RNA) where: Base-Base interactions energy: -1056.599 where: short stacking energy: -435.851 Base-Backbone interact. energy: -4.028 local terms energy: -498.690152 where: bonds (distance) C4'-P energy: -101.362 bonds (distance) P-C4' energy: -118.319 flat angles C4'-P-C4' energy: -105.559 flat angles P-C4'-P energy: -68.758 tors. eta vs tors. theta energy: -104.691 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: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1215.977104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.977104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.977104 (E_RNA) where: Base-Base interactions energy: -807.784 where: short stacking energy: -363.637 Base-Backbone interact. energy: -1.418 local terms energy: -406.775190 where: bonds (distance) C4'-P energy: -97.516 bonds (distance) P-C4' energy: -88.663 flat angles C4'-P-C4' energy: -106.017 flat angles P-C4'-P energy: -54.129 tors. eta vs tors. theta energy: -60.451 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: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -946.220125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.220125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.220125 (E_RNA) where: Base-Base interactions energy: -521.760 where: short stacking energy: -265.426 Base-Backbone interact. energy: 0.878 local terms energy: -425.337688 where: bonds (distance) C4'-P energy: -85.215 bonds (distance) P-C4' energy: -113.969 flat angles C4'-P-C4' energy: -118.951 flat angles P-C4'-P energy: -69.933 tors. eta vs tors. theta energy: -37.271 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: 10, replica: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -881.785647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.785647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.785647 (E_RNA) where: Base-Base interactions energy: -503.810 where: short stacking energy: -249.733 Base-Backbone interact. energy: 3.431 local terms energy: -381.406940 where: bonds (distance) C4'-P energy: -106.232 bonds (distance) P-C4' energy: -107.374 flat angles C4'-P-C4' energy: -104.068 flat angles P-C4'-P energy: -47.882 tors. eta vs tors. theta energy: -15.850 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: 1, replica: 1 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2249.469490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.469490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.469490 (E_RNA) where: Base-Base interactions energy: -1590.772 where: short stacking energy: -639.198 Base-Backbone interact. energy: 7.248 local terms energy: -665.945259 where: bonds (distance) C4'-P energy: -119.091 bonds (distance) P-C4' energy: -120.694 flat angles C4'-P-C4' energy: -145.015 flat angles P-C4'-P energy: -95.303 tors. eta vs tors. theta energy: -185.843 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: 431 Temperature: 0.950000 Total energy: -2182.873684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.873684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.873684 (E_RNA) where: Base-Base interactions energy: -1521.386 where: short stacking energy: -650.773 Base-Backbone interact. energy: -2.418 local terms energy: -659.070189 where: bonds (distance) C4'-P energy: -116.299 bonds (distance) P-C4' energy: -118.483 flat angles C4'-P-C4' energy: -143.848 flat angles P-C4'-P energy: -86.065 tors. eta vs tors. theta energy: -194.376 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: 7 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2096.684579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.684579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.684579 (E_RNA) where: Base-Base interactions energy: -1430.368 where: short stacking energy: -611.482 Base-Backbone interact. energy: -2.977 local terms energy: -663.339276 where: bonds (distance) C4'-P energy: -116.872 bonds (distance) P-C4' energy: -124.765 flat angles C4'-P-C4' energy: -141.924 flat angles P-C4'-P energy: -93.265 tors. eta vs tors. theta energy: -186.513 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: 4 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1923.712418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.712418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.712418 (E_RNA) where: Base-Base interactions energy: -1320.726 where: short stacking energy: -549.817 Base-Backbone interact. energy: 7.677 local terms energy: -610.663260 where: bonds (distance) C4'-P energy: -102.169 bonds (distance) P-C4' energy: -121.098 flat angles C4'-P-C4' energy: -135.830 flat angles P-C4'-P energy: -88.686 tors. eta vs tors. theta energy: -162.880 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: 5, replica: 9 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1850.520899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.520899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.520899 (E_RNA) where: Base-Base interactions energy: -1260.118 where: short stacking energy: -540.317 Base-Backbone interact. energy: -3.438 local terms energy: -586.964790 where: bonds (distance) C4'-P energy: -107.560 bonds (distance) P-C4' energy: -110.314 flat angles C4'-P-C4' energy: -131.073 flat angles P-C4'-P energy: -89.566 tors. eta vs tors. theta energy: -148.451 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: 8 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1734.142422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.142422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.142422 (E_RNA) where: Base-Base interactions energy: -1162.314 where: short stacking energy: -497.506 Base-Backbone interact. energy: -3.063 local terms energy: -568.765517 where: bonds (distance) C4'-P energy: -103.002 bonds (distance) P-C4' energy: -108.260 flat angles C4'-P-C4' energy: -127.837 flat angles P-C4'-P energy: -86.447 tors. eta vs tors. theta energy: -143.221 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: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1545.923283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.923283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.923283 (E_RNA) where: Base-Base interactions energy: -1033.237 where: short stacking energy: -438.730 Base-Backbone interact. energy: -1.129 local terms energy: -511.557307 where: bonds (distance) C4'-P energy: -98.193 bonds (distance) P-C4' energy: -110.495 flat angles C4'-P-C4' energy: -130.432 flat angles P-C4'-P energy: -65.526 tors. eta vs tors. theta energy: -106.912 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: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1289.181122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.181122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.181122 (E_RNA) where: Base-Base interactions energy: -836.636 where: short stacking energy: -366.804 Base-Backbone interact. energy: -0.249 local terms energy: -452.295744 where: bonds (distance) C4'-P energy: -87.634 bonds (distance) P-C4' energy: -102.185 flat angles C4'-P-C4' energy: -110.858 flat angles P-C4'-P energy: -71.081 tors. eta vs tors. theta energy: -80.538 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: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -946.126346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.126346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.126346 (E_RNA) where: Base-Base interactions energy: -557.182 where: short stacking energy: -267.473 Base-Backbone interact. energy: 7.570 local terms energy: -396.513895 where: bonds (distance) C4'-P energy: -94.494 bonds (distance) P-C4' energy: -104.306 flat angles C4'-P-C4' energy: -112.560 flat angles P-C4'-P energy: -67.917 tors. eta vs tors. theta energy: -17.238 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: 10, replica: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -827.302480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.302480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.302480 (E_RNA) where: Base-Base interactions energy: -471.910 where: short stacking energy: -229.939 Base-Backbone interact. energy: 0.053 local terms energy: -355.444827 where: bonds (distance) C4'-P energy: -99.662 bonds (distance) P-C4' energy: -125.767 flat angles C4'-P-C4' energy: -77.495 flat angles P-C4'-P energy: -48.398 tors. eta vs tors. theta energy: -4.124 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: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2254.228762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.228762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.228762 (E_RNA) where: Base-Base interactions energy: -1566.542 where: short stacking energy: -637.930 Base-Backbone interact. energy: -4.152 local terms energy: -683.534232 where: bonds (distance) C4'-P energy: -117.147 bonds (distance) P-C4' energy: -132.218 flat angles C4'-P-C4' energy: -146.873 flat angles P-C4'-P energy: -95.945 tors. eta vs tors. theta energy: -191.351 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: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2192.217698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.217698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.217698 (E_RNA) where: Base-Base interactions energy: -1523.504 where: short stacking energy: -641.520 Base-Backbone interact. energy: -1.754 local terms energy: -666.959419 where: bonds (distance) C4'-P energy: -121.347 bonds (distance) P-C4' energy: -127.961 flat angles C4'-P-C4' energy: -138.862 flat angles P-C4'-P energy: -95.069 tors. eta vs tors. theta energy: -183.720 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: 3, replica: 7 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2117.153325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.153325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.153325 (E_RNA) where: Base-Base interactions energy: -1454.533 where: short stacking energy: -622.681 Base-Backbone interact. energy: -3.534 local terms energy: -659.086704 where: bonds (distance) C4'-P energy: -118.290 bonds (distance) P-C4' energy: -119.660 flat angles C4'-P-C4' energy: -132.374 flat angles P-C4'-P energy: -93.851 tors. eta vs tors. theta energy: -194.912 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: 4 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1937.391073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.391073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.391073 (E_RNA) where: Base-Base interactions energy: -1310.916 where: short stacking energy: -554.188 Base-Backbone interact. energy: 2.264 local terms energy: -628.739233 where: bonds (distance) C4'-P energy: -106.414 bonds (distance) P-C4' energy: -124.169 flat angles C4'-P-C4' energy: -140.540 flat angles P-C4'-P energy: -94.666 tors. eta vs tors. theta energy: -162.949 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: 5, replica: 9 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1810.132874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.132874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.132874 (E_RNA) where: Base-Base interactions energy: -1222.764 where: short stacking energy: -518.609 Base-Backbone interact. energy: -3.179 local terms energy: -584.189857 where: bonds (distance) C4'-P energy: -111.190 bonds (distance) P-C4' energy: -115.673 flat angles C4'-P-C4' energy: -135.761 flat angles P-C4'-P energy: -78.847 tors. eta vs tors. theta energy: -142.719 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: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1778.290395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.290395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.290395 (E_RNA) where: Base-Base interactions energy: -1215.685 where: short stacking energy: -529.294 Base-Backbone interact. energy: -0.724 local terms energy: -561.881256 where: bonds (distance) C4'-P energy: -121.505 bonds (distance) P-C4' energy: -81.594 flat angles C4'-P-C4' energy: -126.902 flat angles P-C4'-P energy: -81.698 tors. eta vs tors. theta energy: -150.181 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: 7, replica: 6 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1533.319801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.319801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.319801 (E_RNA) where: Base-Base interactions energy: -1054.627 where: short stacking energy: -456.723 Base-Backbone interact. energy: -1.394 local terms energy: -477.298605 where: bonds (distance) C4'-P energy: -92.246 bonds (distance) P-C4' energy: -82.994 flat angles C4'-P-C4' energy: -113.546 flat angles P-C4'-P energy: -77.638 tors. eta vs tors. theta energy: -110.875 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: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1290.890974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.890974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.890974 (E_RNA) where: Base-Base interactions energy: -850.067 where: short stacking energy: -348.865 Base-Backbone interact. energy: -1.173 local terms energy: -439.650799 where: bonds (distance) C4'-P energy: -101.131 bonds (distance) P-C4' energy: -104.489 flat angles C4'-P-C4' energy: -97.171 flat angles P-C4'-P energy: -73.424 tors. eta vs tors. theta energy: -63.435 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: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -838.041209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.041209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.041209 (E_RNA) where: Base-Base interactions energy: -491.084 where: short stacking energy: -238.333 Base-Backbone interact. energy: 3.408 local terms energy: -350.365853 where: bonds (distance) C4'-P energy: -104.872 bonds (distance) P-C4' energy: -79.853 flat angles C4'-P-C4' energy: -100.282 flat angles P-C4'-P energy: -49.097 tors. eta vs tors. theta energy: -16.263 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: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -901.497052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.497052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.497052 (E_RNA) where: Base-Base interactions energy: -516.888 where: short stacking energy: -266.528 Base-Backbone interact. energy: 7.971 local terms energy: -392.580365 where: bonds (distance) C4'-P energy: -102.310 bonds (distance) P-C4' energy: -104.558 flat angles C4'-P-C4' energy: -109.340 flat angles P-C4'-P energy: -50.091 tors. eta vs tors. theta energy: -26.281 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: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2270.479030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.479030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.479030 (E_RNA) where: Base-Base interactions energy: -1581.653 where: short stacking energy: -631.883 Base-Backbone interact. energy: -2.962 local terms energy: -685.864482 where: bonds (distance) C4'-P energy: -124.344 bonds (distance) P-C4' energy: -135.996 flat angles C4'-P-C4' energy: -147.053 flat angles P-C4'-P energy: -94.232 tors. eta vs tors. theta energy: -184.239 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: 2, replica: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2212.162013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.162013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.162013 (E_RNA) where: Base-Base interactions energy: -1547.099 where: short stacking energy: -644.843 Base-Backbone interact. energy: -3.624 local terms energy: -661.439540 where: bonds (distance) C4'-P energy: -119.819 bonds (distance) P-C4' energy: -113.886 flat angles C4'-P-C4' energy: -142.542 flat angles P-C4'-P energy: -91.314 tors. eta vs tors. theta energy: -193.879 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: 7 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2104.325761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.325761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.325761 (E_RNA) where: Base-Base interactions energy: -1456.974 where: short stacking energy: -616.425 Base-Backbone interact. energy: -2.600 local terms energy: -644.752346 where: bonds (distance) C4'-P energy: -107.004 bonds (distance) P-C4' energy: -125.745 flat angles C4'-P-C4' energy: -136.348 flat angles P-C4'-P energy: -83.271 tors. eta vs tors. theta energy: -192.385 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: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1943.557508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.557508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.557508 (E_RNA) where: Base-Base interactions energy: -1344.703 where: short stacking energy: -549.061 Base-Backbone interact. energy: 3.618 local terms energy: -602.472557 where: bonds (distance) C4'-P energy: -110.488 bonds (distance) P-C4' energy: -124.531 flat angles C4'-P-C4' energy: -117.632 flat angles P-C4'-P energy: -81.642 tors. eta vs tors. theta energy: -168.179 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: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1826.679355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.679355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.679355 (E_RNA) where: Base-Base interactions energy: -1238.904 where: short stacking energy: -556.758 Base-Backbone interact. energy: -2.180 local terms energy: -585.595205 where: bonds (distance) C4'-P energy: -110.892 bonds (distance) P-C4' energy: -103.156 flat angles C4'-P-C4' energy: -132.421 flat angles P-C4'-P energy: -83.302 tors. eta vs tors. theta energy: -155.824 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: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1755.686461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.686461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.686461 (E_RNA) where: Base-Base interactions energy: -1188.948 where: short stacking energy: -511.946 Base-Backbone interact. energy: -1.508 local terms energy: -565.230409 where: bonds (distance) C4'-P energy: -101.593 bonds (distance) P-C4' energy: -119.581 flat angles C4'-P-C4' energy: -115.278 flat angles P-C4'-P energy: -90.539 tors. eta vs tors. theta energy: -138.239 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: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1543.261526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.261526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.261526 (E_RNA) where: Base-Base interactions energy: -1019.749 where: short stacking energy: -417.560 Base-Backbone interact. energy: -0.044 local terms energy: -523.468313 where: bonds (distance) C4'-P energy: -94.234 bonds (distance) P-C4' energy: -118.585 flat angles C4'-P-C4' energy: -130.044 flat angles P-C4'-P energy: -79.205 tors. eta vs tors. theta energy: -101.401 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: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1208.157136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.157136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.157136 (E_RNA) where: Base-Base interactions energy: -783.080 where: short stacking energy: -338.582 Base-Backbone interact. energy: 1.329 local terms energy: -426.406105 where: bonds (distance) C4'-P energy: -101.069 bonds (distance) P-C4' energy: -109.124 flat angles C4'-P-C4' energy: -92.304 flat angles P-C4'-P energy: -63.032 tors. eta vs tors. theta energy: -60.877 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: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -849.492131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.492131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.492131 (E_RNA) where: Base-Base interactions energy: -488.438 where: short stacking energy: -253.819 Base-Backbone interact. energy: 2.290 local terms energy: -363.344557 where: bonds (distance) C4'-P energy: -96.395 bonds (distance) P-C4' energy: -111.359 flat angles C4'-P-C4' energy: -86.225 flat angles P-C4'-P energy: -47.497 tors. eta vs tors. theta energy: -21.869 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: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -942.308764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.308764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.308764 (E_RNA) where: Base-Base interactions energy: -535.506 where: short stacking energy: -255.601 Base-Backbone interact. energy: -2.842 local terms energy: -403.960685 where: bonds (distance) C4'-P energy: -99.240 bonds (distance) P-C4' energy: -108.836 flat angles C4'-P-C4' energy: -104.834 flat angles P-C4'-P energy: -62.295 tors. eta vs tors. theta energy: -28.755 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: 1, replica: 1 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2285.243102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.243102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.243102 (E_RNA) where: Base-Base interactions energy: -1617.461 where: short stacking energy: -620.180 Base-Backbone interact. energy: 0.913 local terms energy: -668.695256 where: bonds (distance) C4'-P energy: -126.312 bonds (distance) P-C4' energy: -112.935 flat angles C4'-P-C4' energy: -150.513 flat angles P-C4'-P energy: -97.453 tors. eta vs tors. theta energy: -181.481 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: 2, replica: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2169.081609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.081609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.081609 (E_RNA) where: Base-Base interactions energy: -1502.357 where: short stacking energy: -626.632 Base-Backbone interact. energy: 0.614 local terms energy: -667.338303 where: bonds (distance) C4'-P energy: -122.254 bonds (distance) P-C4' energy: -127.669 flat angles C4'-P-C4' energy: -141.253 flat angles P-C4'-P energy: -90.741 tors. eta vs tors. theta energy: -185.422 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: 3, replica: 7 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2129.224772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.224772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.224772 (E_RNA) where: Base-Base interactions energy: -1468.697 where: short stacking energy: -634.557 Base-Backbone interact. energy: -3.912 local terms energy: -656.615722 where: bonds (distance) C4'-P energy: -124.134 bonds (distance) P-C4' energy: -115.724 flat angles C4'-P-C4' energy: -139.076 flat angles P-C4'-P energy: -91.717 tors. eta vs tors. theta energy: -185.964 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: 4 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1941.640387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.640387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.640387 (E_RNA) where: Base-Base interactions energy: -1346.961 where: short stacking energy: -562.478 Base-Backbone interact. energy: 1.681 local terms energy: -596.361022 where: bonds (distance) C4'-P energy: -109.843 bonds (distance) P-C4' energy: -135.055 flat angles C4'-P-C4' energy: -132.144 flat angles P-C4'-P energy: -58.225 tors. eta vs tors. theta energy: -161.094 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: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1833.738072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.738072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.738072 (E_RNA) where: Base-Base interactions energy: -1255.716 where: short stacking energy: -522.029 Base-Backbone interact. energy: 0.499 local terms energy: -578.521160 where: bonds (distance) C4'-P energy: -102.365 bonds (distance) P-C4' energy: -122.197 flat angles C4'-P-C4' energy: -125.348 flat angles P-C4'-P energy: -85.805 tors. eta vs tors. theta energy: -142.807 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: 434 Temperature: 1.150000 Total energy: -1769.074027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.074027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.074027 (E_RNA) where: Base-Base interactions energy: -1221.016 where: short stacking energy: -485.086 Base-Backbone interact. energy: -0.488 local terms energy: -547.570296 where: bonds (distance) C4'-P energy: -102.753 bonds (distance) P-C4' energy: -111.317 flat angles C4'-P-C4' energy: -118.413 flat angles P-C4'-P energy: -65.512 tors. eta vs tors. theta energy: -149.575 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: 7, replica: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1520.870484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.870484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.870484 (E_RNA) where: Base-Base interactions energy: -1023.770 where: short stacking energy: -440.701 Base-Backbone interact. energy: 0.623 local terms energy: -497.723045 where: bonds (distance) C4'-P energy: -112.699 bonds (distance) P-C4' energy: -98.396 flat angles C4'-P-C4' energy: -110.226 flat angles P-C4'-P energy: -69.592 tors. eta vs tors. theta energy: -106.810 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: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1196.883622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.883622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.883622 (E_RNA) where: Base-Base interactions energy: -755.323 where: short stacking energy: -344.988 Base-Backbone interact. energy: 0.915 local terms energy: -442.475170 where: bonds (distance) C4'-P energy: -98.245 bonds (distance) P-C4' energy: -112.504 flat angles C4'-P-C4' energy: -99.789 flat angles P-C4'-P energy: -60.671 tors. eta vs tors. theta energy: -71.266 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: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -996.670616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.670616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.670616 (E_RNA) where: Base-Base interactions energy: -593.696 where: short stacking energy: -286.495 Base-Backbone interact. energy: -2.011 local terms energy: -400.964111 where: bonds (distance) C4'-P energy: -90.001 bonds (distance) P-C4' energy: -116.363 flat angles C4'-P-C4' energy: -104.162 flat angles P-C4'-P energy: -60.145 tors. eta vs tors. theta energy: -30.292 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: 10, replica: 5 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -765.589160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.589160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.589160 (E_RNA) where: Base-Base interactions energy: -396.988 where: short stacking energy: -191.008 Base-Backbone interact. energy: -2.219 local terms energy: -366.382600 where: bonds (distance) C4'-P energy: -93.285 bonds (distance) P-C4' energy: -117.019 flat angles C4'-P-C4' energy: -97.229 flat angles P-C4'-P energy: -56.318 tors. eta vs tors. theta energy: -2.531 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: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2327.116027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.116027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.116027 (E_RNA) where: Base-Base interactions energy: -1663.821 where: short stacking energy: -658.148 Base-Backbone interact. energy: -3.465 local terms energy: -659.830553 where: bonds (distance) C4'-P energy: -129.512 bonds (distance) P-C4' energy: -118.144 flat angles C4'-P-C4' energy: -148.425 flat angles P-C4'-P energy: -77.626 tors. eta vs tors. theta energy: -186.123 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: 2, replica: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2159.611533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.611533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.611533 (E_RNA) where: Base-Base interactions energy: -1494.290 where: short stacking energy: -634.143 Base-Backbone interact. energy: -2.345 local terms energy: -662.976007 where: bonds (distance) C4'-P energy: -117.392 bonds (distance) P-C4' energy: -125.471 flat angles C4'-P-C4' energy: -135.862 flat angles P-C4'-P energy: -100.041 tors. eta vs tors. theta energy: -184.210 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: 7 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2114.131801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.131801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.131801 (E_RNA) where: Base-Base interactions energy: -1438.210 where: short stacking energy: -597.414 Base-Backbone interact. energy: -3.265 local terms energy: -672.656978 where: bonds (distance) C4'-P energy: -126.701 bonds (distance) P-C4' energy: -126.605 flat angles C4'-P-C4' energy: -148.269 flat angles P-C4'-P energy: -75.803 tors. eta vs tors. theta energy: -195.278 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: 4 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1951.284278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.284278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.284278 (E_RNA) where: Base-Base interactions energy: -1316.753 where: short stacking energy: -550.740 Base-Backbone interact. energy: 5.092 local terms energy: -639.622776 where: bonds (distance) C4'-P energy: -123.482 bonds (distance) P-C4' energy: -129.332 flat angles C4'-P-C4' energy: -121.956 flat angles P-C4'-P energy: -100.117 tors. eta vs tors. theta energy: -164.735 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: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1830.316561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.316561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.316561 (E_RNA) where: Base-Base interactions energy: -1251.161 where: short stacking energy: -531.580 Base-Backbone interact. energy: -5.031 local terms energy: -574.124579 where: bonds (distance) C4'-P energy: -115.748 bonds (distance) P-C4' energy: -117.631 flat angles C4'-P-C4' energy: -127.598 flat angles P-C4'-P energy: -79.112 tors. eta vs tors. theta energy: -134.036 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: 8 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1780.832822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.832822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.832822 (E_RNA) where: Base-Base interactions energy: -1186.859 where: short stacking energy: -525.035 Base-Backbone interact. energy: 0.347 local terms energy: -594.321435 where: bonds (distance) C4'-P energy: -96.099 bonds (distance) P-C4' energy: -115.993 flat angles C4'-P-C4' energy: -128.949 flat angles P-C4'-P energy: -81.867 tors. eta vs tors. theta energy: -171.414 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: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1577.503507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.503507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.503507 (E_RNA) where: Base-Base interactions energy: -1065.053 where: short stacking energy: -461.449 Base-Backbone interact. energy: 3.266 local terms energy: -515.716857 where: bonds (distance) C4'-P energy: -99.768 bonds (distance) P-C4' energy: -118.210 flat angles C4'-P-C4' energy: -105.515 flat angles P-C4'-P energy: -84.412 tors. eta vs tors. theta energy: -107.811 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: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1255.438578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.438578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.438578 (E_RNA) where: Base-Base interactions energy: -806.336 where: short stacking energy: -363.861 Base-Backbone interact. energy: -1.695 local terms energy: -447.408360 where: bonds (distance) C4'-P energy: -89.983 bonds (distance) P-C4' energy: -95.028 flat angles C4'-P-C4' energy: -126.020 flat angles P-C4'-P energy: -68.936 tors. eta vs tors. theta energy: -67.441 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: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -942.909316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.909316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.909316 (E_RNA) where: Base-Base interactions energy: -547.900 where: short stacking energy: -273.787 Base-Backbone interact. energy: 9.533 local terms energy: -404.543116 where: bonds (distance) C4'-P energy: -107.827 bonds (distance) P-C4' energy: -105.609 flat angles C4'-P-C4' energy: -107.296 flat angles P-C4'-P energy: -48.958 tors. eta vs tors. theta energy: -34.852 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: 5 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -796.069000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.069000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.069000 (E_RNA) where: Base-Base interactions energy: -418.018 where: short stacking energy: -213.353 Base-Backbone interact. energy: 2.761 local terms energy: -380.812110 where: bonds (distance) C4'-P energy: -118.259 bonds (distance) P-C4' energy: -102.399 flat angles C4'-P-C4' energy: -99.795 flat angles P-C4'-P energy: -61.220 tors. eta vs tors. theta energy: 0.861 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: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2315.724543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.724543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.724543 (E_RNA) where: Base-Base interactions energy: -1635.177 where: short stacking energy: -652.523 Base-Backbone interact. energy: -4.173 local terms energy: -676.374990 where: bonds (distance) C4'-P energy: -133.646 bonds (distance) P-C4' energy: -133.187 flat angles C4'-P-C4' energy: -137.883 flat angles P-C4'-P energy: -81.304 tors. eta vs tors. theta energy: -190.356 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: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2184.217506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.217506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.217506 (E_RNA) where: Base-Base interactions energy: -1510.590 where: short stacking energy: -622.256 Base-Backbone interact. energy: -1.588 local terms energy: -672.039274 where: bonds (distance) C4'-P energy: -121.344 bonds (distance) P-C4' energy: -117.478 flat angles C4'-P-C4' energy: -150.228 flat angles P-C4'-P energy: -97.687 tors. eta vs tors. theta energy: -185.302 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: 7 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2100.816315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.816315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.816315 (E_RNA) where: Base-Base interactions energy: -1445.609 where: short stacking energy: -595.597 Base-Backbone interact. energy: -4.739 local terms energy: -650.467586 where: bonds (distance) C4'-P energy: -108.947 bonds (distance) P-C4' energy: -123.794 flat angles C4'-P-C4' energy: -137.820 flat angles P-C4'-P energy: -95.865 tors. eta vs tors. theta energy: -184.042 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: 4 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1911.586927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.586927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.586927 (E_RNA) where: Base-Base interactions energy: -1330.806 where: short stacking energy: -543.971 Base-Backbone interact. energy: 1.839 local terms energy: -582.620394 where: bonds (distance) C4'-P energy: -106.662 bonds (distance) P-C4' energy: -118.514 flat angles C4'-P-C4' energy: -128.418 flat angles P-C4'-P energy: -75.220 tors. eta vs tors. theta energy: -153.807 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: 5, replica: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1807.980203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.980203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.980203 (E_RNA) where: Base-Base interactions energy: -1228.193 where: short stacking energy: -513.989 Base-Backbone interact. energy: 0.700 local terms energy: -580.487156 where: bonds (distance) C4'-P energy: -106.881 bonds (distance) P-C4' energy: -123.543 flat angles C4'-P-C4' energy: -125.540 flat angles P-C4'-P energy: -84.847 tors. eta vs tors. theta energy: -139.676 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: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1794.438455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.438455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.438455 (E_RNA) where: Base-Base interactions energy: -1216.907 where: short stacking energy: -522.859 Base-Backbone interact. energy: -2.419 local terms energy: -575.112952 where: bonds (distance) C4'-P energy: -114.662 bonds (distance) P-C4' energy: -90.690 flat angles C4'-P-C4' energy: -131.796 flat angles P-C4'-P energy: -81.877 tors. eta vs tors. theta energy: -156.087 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: 6 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1521.734865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.734865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.734865 (E_RNA) where: Base-Base interactions energy: -1030.522 where: short stacking energy: -433.415 Base-Backbone interact. energy: -2.165 local terms energy: -489.048541 where: bonds (distance) C4'-P energy: -102.291 bonds (distance) P-C4' energy: -85.796 flat angles C4'-P-C4' energy: -105.813 flat angles P-C4'-P energy: -77.251 tors. eta vs tors. theta energy: -117.898 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: 8, replica: 2 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1223.562005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.562005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.562005 (E_RNA) where: Base-Base interactions energy: -774.436 where: short stacking energy: -358.333 Base-Backbone interact. energy: 1.415 local terms energy: -450.540973 where: bonds (distance) C4'-P energy: -103.430 bonds (distance) P-C4' energy: -104.272 flat angles C4'-P-C4' energy: -101.335 flat angles P-C4'-P energy: -78.069 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: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -937.468768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.468768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.468768 (E_RNA) where: Base-Base interactions energy: -548.421 where: short stacking energy: -264.357 Base-Backbone interact. energy: -0.453 local terms energy: -388.594780 where: bonds (distance) C4'-P energy: -108.863 bonds (distance) P-C4' energy: -102.443 flat angles C4'-P-C4' energy: -90.957 flat angles P-C4'-P energy: -51.615 tors. eta vs tors. theta energy: -34.716 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: 5 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -793.968111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.968111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.968111 (E_RNA) where: Base-Base interactions energy: -417.580 where: short stacking energy: -215.117 Base-Backbone interact. energy: 0.936 local terms energy: -377.324554 where: bonds (distance) C4'-P energy: -91.060 bonds (distance) P-C4' energy: -100.299 flat angles C4'-P-C4' energy: -107.151 flat angles P-C4'-P energy: -53.726 tors. eta vs tors. theta energy: -25.087 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: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2274.314687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.314687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.314687 (E_RNA) where: Base-Base interactions energy: -1596.488 where: short stacking energy: -616.067 Base-Backbone interact. energy: -3.168 local terms energy: -674.658605 where: bonds (distance) C4'-P energy: -125.631 bonds (distance) P-C4' energy: -121.521 flat angles C4'-P-C4' energy: -147.305 flat angles P-C4'-P energy: -105.391 tors. eta vs tors. theta energy: -174.811 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: 2, replica: 7 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2146.854103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.854103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.854103 (E_RNA) where: Base-Base interactions energy: -1454.743 where: short stacking energy: -619.660 Base-Backbone interact. energy: -1.430 local terms energy: -690.680700 where: bonds (distance) C4'-P energy: -121.905 bonds (distance) P-C4' energy: -129.913 flat angles C4'-P-C4' energy: -145.446 flat angles P-C4'-P energy: -99.473 tors. eta vs tors. theta energy: -193.944 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: 10 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2129.022267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.022267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.022267 (E_RNA) where: Base-Base interactions energy: -1467.430 where: short stacking energy: -625.186 Base-Backbone interact. energy: -3.738 local terms energy: -657.854170 where: bonds (distance) C4'-P energy: -116.595 bonds (distance) P-C4' energy: -118.111 flat angles C4'-P-C4' energy: -145.933 flat angles P-C4'-P energy: -97.893 tors. eta vs tors. theta energy: -179.322 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: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1859.055940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.055940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.055940 (E_RNA) where: Base-Base interactions energy: -1279.901 where: short stacking energy: -573.272 Base-Backbone interact. energy: -2.862 local terms energy: -576.293338 where: bonds (distance) C4'-P energy: -95.252 bonds (distance) P-C4' energy: -105.308 flat angles C4'-P-C4' energy: -131.608 flat angles P-C4'-P energy: -85.590 tors. eta vs tors. theta energy: -158.536 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: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1825.204101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.204101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.204101 (E_RNA) where: Base-Base interactions energy: -1274.897 where: short stacking energy: -536.027 Base-Backbone interact. energy: -1.336 local terms energy: -548.971320 where: bonds (distance) C4'-P energy: -104.940 bonds (distance) P-C4' energy: -93.561 flat angles C4'-P-C4' energy: -140.766 flat angles P-C4'-P energy: -72.045 tors. eta vs tors. theta energy: -137.660 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: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1708.170438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.170438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.170438 (E_RNA) where: Base-Base interactions energy: -1153.093 where: short stacking energy: -501.450 Base-Backbone interact. energy: -1.666 local terms energy: -553.411260 where: bonds (distance) C4'-P energy: -91.486 bonds (distance) P-C4' energy: -110.857 flat angles C4'-P-C4' energy: -116.974 flat angles P-C4'-P energy: -95.737 tors. eta vs tors. theta energy: -138.357 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: 6 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1534.851967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.851967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.851967 (E_RNA) where: Base-Base interactions energy: -1019.812 where: short stacking energy: -450.472 Base-Backbone interact. energy: -2.563 local terms energy: -512.476977 where: bonds (distance) C4'-P energy: -98.879 bonds (distance) P-C4' energy: -100.928 flat angles C4'-P-C4' energy: -116.751 flat angles P-C4'-P energy: -75.678 tors. eta vs tors. theta energy: -120.242 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: 8, replica: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1196.357072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.357072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.357072 (E_RNA) where: Base-Base interactions energy: -765.360 where: short stacking energy: -342.621 Base-Backbone interact. energy: -3.320 local terms energy: -427.677106 where: bonds (distance) C4'-P energy: -105.758 bonds (distance) P-C4' energy: -107.805 flat angles C4'-P-C4' energy: -101.988 flat angles P-C4'-P energy: -49.258 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: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -930.961833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.961833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.961833 (E_RNA) where: Base-Base interactions energy: -542.368 where: short stacking energy: -267.482 Base-Backbone interact. energy: 0.306 local terms energy: -388.900161 where: bonds (distance) C4'-P energy: -116.901 bonds (distance) P-C4' energy: -97.001 flat angles C4'-P-C4' energy: -93.927 flat angles P-C4'-P energy: -53.426 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: 10, replica: 5 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -810.914992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.914992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.914992 (E_RNA) where: Base-Base interactions energy: -432.780 where: short stacking energy: -227.543 Base-Backbone interact. energy: 3.222 local terms energy: -381.356406 where: bonds (distance) C4'-P energy: -79.208 bonds (distance) P-C4' energy: -111.212 flat angles C4'-P-C4' energy: -106.444 flat angles P-C4'-P energy: -61.431 tors. eta vs tors. theta energy: -23.061 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: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2280.296696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.296696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.296696 (E_RNA) where: Base-Base interactions energy: -1616.460 where: short stacking energy: -624.285 Base-Backbone interact. energy: -0.587 local terms energy: -663.249663 where: bonds (distance) C4'-P energy: -118.278 bonds (distance) P-C4' energy: -129.819 flat angles C4'-P-C4' energy: -142.533 flat angles P-C4'-P energy: -94.823 tors. eta vs tors. theta energy: -177.796 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: 2, replica: 7 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2151.433745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.433745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.433745 (E_RNA) where: Base-Base interactions energy: -1508.287 where: short stacking energy: -655.069 Base-Backbone interact. energy: -2.085 local terms energy: -641.061983 where: bonds (distance) C4'-P energy: -103.677 bonds (distance) P-C4' energy: -121.238 flat angles C4'-P-C4' energy: -139.762 flat angles P-C4'-P energy: -84.412 tors. eta vs tors. theta energy: -191.973 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: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2091.353862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.353862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.353862 (E_RNA) where: Base-Base interactions energy: -1435.329 where: short stacking energy: -617.519 Base-Backbone interact. energy: -1.782 local terms energy: -654.242337 where: bonds (distance) C4'-P energy: -119.810 bonds (distance) P-C4' energy: -123.372 flat angles C4'-P-C4' energy: -144.931 flat angles P-C4'-P energy: -83.877 tors. eta vs tors. theta energy: -182.253 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: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1862.311764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.311764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.311764 (E_RNA) where: Base-Base interactions energy: -1232.307 where: short stacking energy: -528.103 Base-Backbone interact. energy: -1.253 local terms energy: -628.751704 where: bonds (distance) C4'-P energy: -113.184 bonds (distance) P-C4' energy: -126.508 flat angles C4'-P-C4' energy: -140.641 flat angles P-C4'-P energy: -93.927 tors. eta vs tors. theta energy: -154.492 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: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1838.169153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.169153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.169153 (E_RNA) where: Base-Base interactions energy: -1252.346 where: short stacking energy: -532.277 Base-Backbone interact. energy: 5.350 local terms energy: -591.174006 where: bonds (distance) C4'-P energy: -123.166 bonds (distance) P-C4' energy: -104.845 flat angles C4'-P-C4' energy: -127.840 flat angles P-C4'-P energy: -82.896 tors. eta vs tors. theta energy: -152.427 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: 6, replica: 8 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1741.971585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.971585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.971585 (E_RNA) where: Base-Base interactions energy: -1181.445 where: short stacking energy: -508.304 Base-Backbone interact. energy: -1.457 local terms energy: -559.069998 where: bonds (distance) C4'-P energy: -88.483 bonds (distance) P-C4' energy: -114.717 flat angles C4'-P-C4' energy: -124.216 flat angles P-C4'-P energy: -75.801 tors. eta vs tors. theta energy: -155.853 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: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1521.217398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.217398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.217398 (E_RNA) where: Base-Base interactions energy: -1037.017 where: short stacking energy: -429.187 Base-Backbone interact. energy: -2.618 local terms energy: -481.581954 where: bonds (distance) C4'-P energy: -114.335 bonds (distance) P-C4' energy: -99.000 flat angles C4'-P-C4' energy: -96.919 flat angles P-C4'-P energy: -77.309 tors. eta vs tors. theta energy: -94.020 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: 2 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1238.162825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.162825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.162825 (E_RNA) where: Base-Base interactions energy: -755.864 where: short stacking energy: -358.076 Base-Backbone interact. energy: -2.416 local terms energy: -479.882845 where: bonds (distance) C4'-P energy: -98.407 bonds (distance) P-C4' energy: -117.407 flat angles C4'-P-C4' energy: -103.000 flat angles P-C4'-P energy: -93.440 tors. eta vs tors. theta energy: -67.628 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: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -949.742166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.742166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.742166 (E_RNA) where: Base-Base interactions energy: -575.710 where: short stacking energy: -284.323 Base-Backbone interact. energy: 0.861 local terms energy: -374.893118 where: bonds (distance) C4'-P energy: -104.411 bonds (distance) P-C4' energy: -102.367 flat angles C4'-P-C4' energy: -97.501 flat angles P-C4'-P energy: -57.248 tors. eta vs tors. theta energy: -13.366 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: 5 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -773.056115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.056115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.056115 (E_RNA) where: Base-Base interactions energy: -413.487 where: short stacking energy: -194.969 Base-Backbone interact. energy: -2.418 local terms energy: -357.151518 where: bonds (distance) C4'-P energy: -116.195 bonds (distance) P-C4' energy: -75.213 flat angles C4'-P-C4' energy: -88.520 flat angles P-C4'-P energy: -66.490 tors. eta vs tors. theta energy: -10.734 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: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2290.786557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.786557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.786557 (E_RNA) where: Base-Base interactions energy: -1619.612 where: short stacking energy: -629.672 Base-Backbone interact. energy: -5.504 local terms energy: -665.670446 where: bonds (distance) C4'-P energy: -116.780 bonds (distance) P-C4' energy: -121.690 flat angles C4'-P-C4' energy: -150.350 flat angles P-C4'-P energy: -99.927 tors. eta vs tors. theta energy: -176.924 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: 7 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2158.135084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.135084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.135084 (E_RNA) where: Base-Base interactions energy: -1473.764 where: short stacking energy: -613.457 Base-Backbone interact. energy: -5.079 local terms energy: -679.292425 where: bonds (distance) C4'-P energy: -125.334 bonds (distance) P-C4' energy: -122.143 flat angles C4'-P-C4' energy: -145.353 flat angles P-C4'-P energy: -97.289 tors. eta vs tors. theta energy: -189.173 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: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2083.941446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.941446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.941446 (E_RNA) where: Base-Base interactions energy: -1430.438 where: short stacking energy: -617.571 Base-Backbone interact. energy: -2.078 local terms energy: -651.425423 where: bonds (distance) C4'-P energy: -113.687 bonds (distance) P-C4' energy: -120.607 flat angles C4'-P-C4' energy: -140.740 flat angles P-C4'-P energy: -95.465 tors. eta vs tors. theta energy: -180.926 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: 4, replica: 4 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1912.416471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.416471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.416471 (E_RNA) where: Base-Base interactions energy: -1289.757 where: short stacking energy: -541.370 Base-Backbone interact. energy: -0.699 local terms energy: -621.960640 where: bonds (distance) C4'-P energy: -125.589 bonds (distance) P-C4' energy: -126.724 flat angles C4'-P-C4' energy: -126.361 flat angles P-C4'-P energy: -89.479 tors. eta vs tors. theta energy: -153.808 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: 5, replica: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1830.409411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.409411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.409411 (E_RNA) where: Base-Base interactions energy: -1265.669 where: short stacking energy: -523.440 Base-Backbone interact. energy: 2.342 local terms energy: -567.083018 where: bonds (distance) C4'-P energy: -92.500 bonds (distance) P-C4' energy: -111.300 flat angles C4'-P-C4' energy: -129.759 flat angles P-C4'-P energy: -67.206 tors. eta vs tors. theta energy: -166.317 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: 8 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1680.856408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.856408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.856408 (E_RNA) where: Base-Base interactions energy: -1129.036 where: short stacking energy: -472.750 Base-Backbone interact. energy: -0.373 local terms energy: -551.447055 where: bonds (distance) C4'-P energy: -108.365 bonds (distance) P-C4' energy: -109.204 flat angles C4'-P-C4' energy: -122.140 flat angles P-C4'-P energy: -75.834 tors. eta vs tors. theta energy: -135.904 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: 6 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1534.844467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.844467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.844467 (E_RNA) where: Base-Base interactions energy: -1021.490 where: short stacking energy: -452.481 Base-Backbone interact. energy: -0.578 local terms energy: -512.775965 where: bonds (distance) C4'-P energy: -116.258 bonds (distance) P-C4' energy: -97.545 flat angles C4'-P-C4' energy: -128.535 flat angles P-C4'-P energy: -59.687 tors. eta vs tors. theta energy: -110.752 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: 2 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1252.183557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.183557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.183557 (E_RNA) where: Base-Base interactions energy: -817.709 where: short stacking energy: -363.649 Base-Backbone interact. energy: 3.108 local terms energy: -437.581862 where: bonds (distance) C4'-P energy: -114.590 bonds (distance) P-C4' energy: -104.863 flat angles C4'-P-C4' energy: -88.138 flat angles P-C4'-P energy: -62.193 tors. eta vs tors. theta energy: -67.798 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: 9, replica: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -992.613698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.613698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.613698 (E_RNA) where: Base-Base interactions energy: -592.643 where: short stacking energy: -287.085 Base-Backbone interact. energy: -0.563 local terms energy: -399.408268 where: bonds (distance) C4'-P energy: -99.188 bonds (distance) P-C4' energy: -102.310 flat angles C4'-P-C4' energy: -101.458 flat angles P-C4'-P energy: -62.381 tors. eta vs tors. theta energy: -34.072 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: 10, replica: 5 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -789.718692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.718692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.718692 (E_RNA) where: Base-Base interactions energy: -428.924 where: short stacking energy: -210.754 Base-Backbone interact. energy: -2.535 local terms energy: -358.260108 where: bonds (distance) C4'-P energy: -86.709 bonds (distance) P-C4' energy: -117.038 flat angles C4'-P-C4' energy: -68.592 flat angles P-C4'-P energy: -65.024 tors. eta vs tors. theta energy: -20.897 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: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2267.488448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.488448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.488448 (E_RNA) where: Base-Base interactions energy: -1587.523 where: short stacking energy: -639.603 Base-Backbone interact. energy: -3.960 local terms energy: -676.005234 where: bonds (distance) C4'-P energy: -119.616 bonds (distance) P-C4' energy: -119.358 flat angles C4'-P-C4' energy: -146.334 flat angles P-C4'-P energy: -108.404 tors. eta vs tors. theta energy: -182.294 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: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2166.005727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.005727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.005727 (E_RNA) where: Base-Base interactions energy: -1490.391 where: short stacking energy: -634.905 Base-Backbone interact. energy: -0.825 local terms energy: -674.790058 where: bonds (distance) C4'-P energy: -114.879 bonds (distance) P-C4' energy: -135.254 flat angles C4'-P-C4' energy: -133.673 flat angles P-C4'-P energy: -89.006 tors. eta vs tors. theta energy: -201.979 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: 10 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2101.529965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.529965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.529965 (E_RNA) where: Base-Base interactions energy: -1456.315 where: short stacking energy: -621.510 Base-Backbone interact. energy: -1.917 local terms energy: -643.298317 where: bonds (distance) C4'-P energy: -119.338 bonds (distance) P-C4' energy: -117.188 flat angles C4'-P-C4' energy: -138.838 flat angles P-C4'-P energy: -90.209 tors. eta vs tors. theta energy: -177.726 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: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1916.673201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.673201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.673201 (E_RNA) where: Base-Base interactions energy: -1314.423 where: short stacking energy: -554.296 Base-Backbone interact. energy: 1.565 local terms energy: -603.815270 where: bonds (distance) C4'-P energy: -106.472 bonds (distance) P-C4' energy: -109.289 flat angles C4'-P-C4' energy: -134.541 flat angles P-C4'-P energy: -94.407 tors. eta vs tors. theta energy: -159.107 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: 5, replica: 9 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1881.613684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.613684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.613684 (E_RNA) where: Base-Base interactions energy: -1290.948 where: short stacking energy: -533.196 Base-Backbone interact. energy: -2.689 local terms energy: -587.976855 where: bonds (distance) C4'-P energy: -108.753 bonds (distance) P-C4' energy: -112.536 flat angles C4'-P-C4' energy: -119.905 flat angles P-C4'-P energy: -80.656 tors. eta vs tors. theta energy: -166.127 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: 6, replica: 8 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1742.107282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.107282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.107282 (E_RNA) where: Base-Base interactions energy: -1166.362 where: short stacking energy: -482.484 Base-Backbone interact. energy: -0.997 local terms energy: -574.748637 where: bonds (distance) C4'-P energy: -102.706 bonds (distance) P-C4' energy: -117.657 flat angles C4'-P-C4' energy: -122.386 flat angles P-C4'-P energy: -92.663 tors. eta vs tors. theta energy: -139.336 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: 6 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1526.330203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.330203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.330203 (E_RNA) where: Base-Base interactions energy: -1005.127 where: short stacking energy: -444.968 Base-Backbone interact. energy: -3.969 local terms energy: -517.233650 where: bonds (distance) C4'-P energy: -116.385 bonds (distance) P-C4' energy: -108.773 flat angles C4'-P-C4' energy: -105.970 flat angles P-C4'-P energy: -70.320 tors. eta vs tors. theta energy: -115.786 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: 2 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1263.033340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.033340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.033340 (E_RNA) where: Base-Base interactions energy: -775.236 where: short stacking energy: -339.371 Base-Backbone interact. energy: -1.121 local terms energy: -486.676054 where: bonds (distance) C4'-P energy: -117.399 bonds (distance) P-C4' energy: -127.830 flat angles C4'-P-C4' energy: -108.347 flat angles P-C4'-P energy: -68.630 tors. eta vs tors. theta energy: -64.469 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: 3 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -939.827372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.827372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.827372 (E_RNA) where: Base-Base interactions energy: -552.409 where: short stacking energy: -268.523 Base-Backbone interact. energy: 3.072 local terms energy: -390.491063 where: bonds (distance) C4'-P energy: -93.759 bonds (distance) P-C4' energy: -95.546 flat angles C4'-P-C4' energy: -94.725 flat angles P-C4'-P energy: -74.455 tors. eta vs tors. theta energy: -32.007 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: 10, replica: 5 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -849.040085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.040085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.040085 (E_RNA) where: Base-Base interactions energy: -474.387 where: short stacking energy: -217.082 Base-Backbone interact. energy: 1.247 local terms energy: -375.899422 where: bonds (distance) C4'-P energy: -89.928 bonds (distance) P-C4' energy: -99.570 flat angles C4'-P-C4' energy: -115.790 flat angles P-C4'-P energy: -61.161 tors. eta vs tors. theta energy: -9.450 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: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2277.670948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.670948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.670948 (E_RNA) where: Base-Base interactions energy: -1598.273 where: short stacking energy: -621.731 Base-Backbone interact. energy: -4.053 local terms energy: -675.345675 where: bonds (distance) C4'-P energy: -121.423 bonds (distance) P-C4' energy: -130.319 flat angles C4'-P-C4' energy: -145.326 flat angles P-C4'-P energy: -103.224 tors. eta vs tors. theta energy: -175.053 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: 2, replica: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2153.341518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.341518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.341518 (E_RNA) where: Base-Base interactions energy: -1501.888 where: short stacking energy: -641.043 Base-Backbone interact. energy: -1.284 local terms energy: -650.169867 where: bonds (distance) C4'-P energy: -119.230 bonds (distance) P-C4' energy: -118.191 flat angles C4'-P-C4' energy: -139.251 flat angles P-C4'-P energy: -82.307 tors. eta vs tors. theta energy: -191.191 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: 10 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2100.244208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.244208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.244208 (E_RNA) where: Base-Base interactions energy: -1479.073 where: short stacking energy: -626.698 Base-Backbone interact. energy: -2.472 local terms energy: -618.699108 where: bonds (distance) C4'-P energy: -114.030 bonds (distance) P-C4' energy: -102.942 flat angles C4'-P-C4' energy: -139.327 flat angles P-C4'-P energy: -84.004 tors. eta vs tors. theta energy: -178.397 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: 4, replica: 4 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1968.763829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.763829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.763829 (E_RNA) where: Base-Base interactions energy: -1355.344 where: short stacking energy: -580.490 Base-Backbone interact. energy: 0.972 local terms energy: -614.392364 where: bonds (distance) C4'-P energy: -117.210 bonds (distance) P-C4' energy: -121.982 flat angles C4'-P-C4' energy: -125.640 flat angles P-C4'-P energy: -81.981 tors. eta vs tors. theta energy: -167.579 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: 5, replica: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1857.564996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.564996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.564996 (E_RNA) where: Base-Base interactions energy: -1257.505 where: short stacking energy: -568.838 Base-Backbone interact. energy: -0.003 local terms energy: -600.056767 where: bonds (distance) C4'-P energy: -102.739 bonds (distance) P-C4' energy: -115.599 flat angles C4'-P-C4' energy: -143.814 flat angles P-C4'-P energy: -85.635 tors. eta vs tors. theta energy: -152.269 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: 6, replica: 8 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1718.352193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.352193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.352193 (E_RNA) where: Base-Base interactions energy: -1195.717 where: short stacking energy: -489.963 Base-Backbone interact. energy: -2.679 local terms energy: -519.956364 where: bonds (distance) C4'-P energy: -111.271 bonds (distance) P-C4' energy: -97.230 flat angles C4'-P-C4' energy: -111.213 flat angles P-C4'-P energy: -74.017 tors. eta vs tors. theta energy: -126.226 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: 7, replica: 6 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1538.947955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.947955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.947955 (E_RNA) where: Base-Base interactions energy: -1005.106 where: short stacking energy: -429.601 Base-Backbone interact. energy: -0.298 local terms energy: -533.543839 where: bonds (distance) C4'-P energy: -97.349 bonds (distance) P-C4' energy: -110.164 flat angles C4'-P-C4' energy: -118.578 flat angles P-C4'-P energy: -92.078 tors. eta vs tors. theta energy: -115.375 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: 8, replica: 2 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1297.111655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.111655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.111655 (E_RNA) where: Base-Base interactions energy: -845.710 where: short stacking energy: -380.762 Base-Backbone interact. energy: -1.831 local terms energy: -449.570392 where: bonds (distance) C4'-P energy: -77.826 bonds (distance) P-C4' energy: -108.709 flat angles C4'-P-C4' energy: -127.841 flat angles P-C4'-P energy: -51.781 tors. eta vs tors. theta energy: -83.414 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: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -969.282288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.282288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.282288 (E_RNA) where: Base-Base interactions energy: -563.913 where: short stacking energy: -267.198 Base-Backbone interact. energy: -3.632 local terms energy: -401.737833 where: bonds (distance) C4'-P energy: -101.194 bonds (distance) P-C4' energy: -119.768 flat angles C4'-P-C4' energy: -83.645 flat angles P-C4'-P energy: -48.804 tors. eta vs tors. theta energy: -48.326 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: 5 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -913.863617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.863617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.863617 (E_RNA) where: Base-Base interactions energy: -520.363 where: short stacking energy: -252.489 Base-Backbone interact. energy: -2.816 local terms energy: -390.685018 where: bonds (distance) C4'-P energy: -87.937 bonds (distance) P-C4' energy: -101.063 flat angles C4'-P-C4' energy: -95.547 flat angles P-C4'-P energy: -60.701 tors. eta vs tors. theta energy: -45.436 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: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2282.084297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.084297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.084297 (E_RNA) where: Base-Base interactions energy: -1604.389 where: short stacking energy: -610.183 Base-Backbone interact. energy: -0.488 local terms energy: -677.207446 where: bonds (distance) C4'-P energy: -126.315 bonds (distance) P-C4' energy: -126.890 flat angles C4'-P-C4' energy: -153.227 flat angles P-C4'-P energy: -90.936 tors. eta vs tors. theta energy: -179.840 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: 7 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2144.072191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.072191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.072191 (E_RNA) where: Base-Base interactions energy: -1449.192 where: short stacking energy: -623.628 Base-Backbone interact. energy: -1.286 local terms energy: -693.594756 where: bonds (distance) C4'-P energy: -128.571 bonds (distance) P-C4' energy: -131.826 flat angles C4'-P-C4' energy: -140.807 flat angles P-C4'-P energy: -101.344 tors. eta vs tors. theta energy: -191.047 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: 3, replica: 10 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2112.875111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.875111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.875111 (E_RNA) where: Base-Base interactions energy: -1483.667 where: short stacking energy: -634.233 Base-Backbone interact. energy: -0.806 local terms energy: -628.402510 where: bonds (distance) C4'-P energy: -111.729 bonds (distance) P-C4' energy: -118.239 flat angles C4'-P-C4' energy: -128.063 flat angles P-C4'-P energy: -81.913 tors. eta vs tors. theta energy: -188.458 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: 4, replica: 4 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1966.884060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.884060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.884060 (E_RNA) where: Base-Base interactions energy: -1345.891 where: short stacking energy: -558.963 Base-Backbone interact. energy: 2.042 local terms energy: -623.035492 where: bonds (distance) C4'-P energy: -119.515 bonds (distance) P-C4' energy: -117.739 flat angles C4'-P-C4' energy: -134.183 flat angles P-C4'-P energy: -84.833 tors. eta vs tors. theta energy: -166.765 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: 5, replica: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1805.016035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.016035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.016035 (E_RNA) where: Base-Base interactions energy: -1226.647 where: short stacking energy: -537.619 Base-Backbone interact. energy: -3.372 local terms energy: -574.996963 where: bonds (distance) C4'-P energy: -107.569 bonds (distance) P-C4' energy: -117.379 flat angles C4'-P-C4' energy: -122.522 flat angles P-C4'-P energy: -72.450 tors. eta vs tors. theta energy: -155.077 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: 6, replica: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1781.855393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.855393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.855393 (E_RNA) where: Base-Base interactions energy: -1228.277 where: short stacking energy: -525.291 Base-Backbone interact. energy: -2.125 local terms energy: -551.453185 where: bonds (distance) C4'-P energy: -109.137 bonds (distance) P-C4' energy: -107.991 flat angles C4'-P-C4' energy: -120.434 flat angles P-C4'-P energy: -72.437 tors. eta vs tors. theta energy: -141.455 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: 7, replica: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1599.017559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.017559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.017559 (E_RNA) where: Base-Base interactions energy: -1093.367 where: short stacking energy: -470.888 Base-Backbone interact. energy: -2.664 local terms energy: -502.986864 where: bonds (distance) C4'-P energy: -100.857 bonds (distance) P-C4' energy: -116.179 flat angles C4'-P-C4' energy: -108.231 flat angles P-C4'-P energy: -67.593 tors. eta vs tors. theta energy: -110.128 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: 8, replica: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1285.762272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.762272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.762272 (E_RNA) where: Base-Base interactions energy: -796.985 where: short stacking energy: -375.196 Base-Backbone interact. energy: -2.302 local terms energy: -486.475836 where: bonds (distance) C4'-P energy: -114.589 bonds (distance) P-C4' energy: -105.731 flat angles C4'-P-C4' energy: -107.540 flat angles P-C4'-P energy: -70.144 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: 9, replica: 5 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -895.429740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.429740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.429740 (E_RNA) where: Base-Base interactions energy: -525.482 where: short stacking energy: -239.812 Base-Backbone interact. energy: 0.173 local terms energy: -370.121279 where: bonds (distance) C4'-P energy: -88.671 bonds (distance) P-C4' energy: -105.653 flat angles C4'-P-C4' energy: -109.719 flat angles P-C4'-P energy: -44.448 tors. eta vs tors. theta energy: -21.631 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: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -862.539866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.539866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.539866 (E_RNA) where: Base-Base interactions energy: -510.417 where: short stacking energy: -234.291 Base-Backbone interact. energy: -3.496 local terms energy: -348.626864 where: bonds (distance) C4'-P energy: -104.788 bonds (distance) P-C4' energy: -90.668 flat angles C4'-P-C4' energy: -88.459 flat angles P-C4'-P energy: -52.872 tors. eta vs tors. theta energy: -11.840 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: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2285.474646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.474646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.474646 (E_RNA) where: Base-Base interactions energy: -1585.324 where: short stacking energy: -632.009 Base-Backbone interact. energy: -3.387 local terms energy: -696.763864 where: bonds (distance) C4'-P energy: -130.640 bonds (distance) P-C4' energy: -130.968 flat angles C4'-P-C4' energy: -145.644 flat angles P-C4'-P energy: -97.107 tors. eta vs tors. theta energy: -192.404 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: 2, replica: 7 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2135.179379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.179379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.179379 (E_RNA) where: Base-Base interactions energy: -1478.664 where: short stacking energy: -634.488 Base-Backbone interact. energy: -2.059 local terms energy: -654.456642 where: bonds (distance) C4'-P energy: -106.383 bonds (distance) P-C4' energy: -116.489 flat angles C4'-P-C4' energy: -141.471 flat angles P-C4'-P energy: -101.069 tors. eta vs tors. theta energy: -189.044 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: 3, replica: 10 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2134.482666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.482666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.482666 (E_RNA) where: Base-Base interactions energy: -1484.474 where: short stacking energy: -624.632 Base-Backbone interact. energy: -2.788 local terms energy: -647.220794 where: bonds (distance) C4'-P energy: -108.843 bonds (distance) P-C4' energy: -125.944 flat angles C4'-P-C4' energy: -141.931 flat angles P-C4'-P energy: -92.200 tors. eta vs tors. theta energy: -178.304 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: 4 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1960.959931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.959931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.959931 (E_RNA) where: Base-Base interactions energy: -1354.151 where: short stacking energy: -561.561 Base-Backbone interact. energy: -0.979 local terms energy: -605.830348 where: bonds (distance) C4'-P energy: -114.339 bonds (distance) P-C4' energy: -121.962 flat angles C4'-P-C4' energy: -119.822 flat angles P-C4'-P energy: -82.958 tors. eta vs tors. theta energy: -166.749 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: 5, replica: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1802.390954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.390954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.390954 (E_RNA) where: Base-Base interactions energy: -1216.408 where: short stacking energy: -523.089 Base-Backbone interact. energy: 0.484 local terms energy: -586.466083 where: bonds (distance) C4'-P energy: -96.658 bonds (distance) P-C4' energy: -126.357 flat angles C4'-P-C4' energy: -132.455 flat angles P-C4'-P energy: -89.173 tors. eta vs tors. theta energy: -141.824 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: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1753.907082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.907082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.907082 (E_RNA) where: Base-Base interactions energy: -1187.058 where: short stacking energy: -519.714 Base-Backbone interact. energy: -3.172 local terms energy: -563.677070 where: bonds (distance) C4'-P energy: -101.697 bonds (distance) P-C4' energy: -121.244 flat angles C4'-P-C4' energy: -117.547 flat angles P-C4'-P energy: -86.275 tors. eta vs tors. theta energy: -136.914 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: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1576.013830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.013830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.013830 (E_RNA) where: Base-Base interactions energy: -1079.443 where: short stacking energy: -452.624 Base-Backbone interact. energy: -1.499 local terms energy: -495.071862 where: bonds (distance) C4'-P energy: -84.490 bonds (distance) P-C4' energy: -116.093 flat angles C4'-P-C4' energy: -115.913 flat angles P-C4'-P energy: -67.837 tors. eta vs tors. theta energy: -110.738 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: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1257.604816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.604816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.604816 (E_RNA) where: Base-Base interactions energy: -811.970 where: short stacking energy: -344.339 Base-Backbone interact. energy: -0.931 local terms energy: -444.703532 where: bonds (distance) C4'-P energy: -81.003 bonds (distance) P-C4' energy: -107.431 flat angles C4'-P-C4' energy: -116.551 flat angles P-C4'-P energy: -65.356 tors. eta vs tors. theta energy: -74.364 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: 5 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -899.878558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.878558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.878558 (E_RNA) where: Base-Base interactions energy: -529.193 where: short stacking energy: -255.728 Base-Backbone interact. energy: 1.888 local terms energy: -372.573871 where: bonds (distance) C4'-P energy: -97.641 bonds (distance) P-C4' energy: -100.418 flat angles C4'-P-C4' energy: -91.100 flat angles P-C4'-P energy: -65.035 tors. eta vs tors. theta energy: -18.379 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: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -898.513599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.513599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.513599 (E_RNA) where: Base-Base interactions energy: -522.192 where: short stacking energy: -238.744 Base-Backbone interact. energy: -0.932 local terms energy: -375.390162 where: bonds (distance) C4'-P energy: -96.179 bonds (distance) P-C4' energy: -84.571 flat angles C4'-P-C4' energy: -94.558 flat angles P-C4'-P energy: -74.705 tors. eta vs tors. theta energy: -25.378 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: 1, replica: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2269.577366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.577366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.577366 (E_RNA) where: Base-Base interactions energy: -1606.200 where: short stacking energy: -645.579 Base-Backbone interact. energy: -3.515 local terms energy: -659.863157 where: bonds (distance) C4'-P energy: -120.788 bonds (distance) P-C4' energy: -113.410 flat angles C4'-P-C4' energy: -152.029 flat angles P-C4'-P energy: -95.658 tors. eta vs tors. theta energy: -177.979 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: 2, replica: 7 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2125.908739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.908739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.908739 (E_RNA) where: Base-Base interactions energy: -1462.486 where: short stacking energy: -617.595 Base-Backbone interact. energy: 0.957 local terms energy: -664.378994 where: bonds (distance) C4'-P energy: -114.922 bonds (distance) P-C4' energy: -126.403 flat angles C4'-P-C4' energy: -136.880 flat angles P-C4'-P energy: -93.727 tors. eta vs tors. theta energy: -192.448 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: 444 Temperature: 1.000000 Total energy: -2095.791728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.791728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.791728 (E_RNA) where: Base-Base interactions energy: -1432.989 where: short stacking energy: -602.924 Base-Backbone interact. energy: -1.886 local terms energy: -660.916439 where: bonds (distance) C4'-P energy: -101.128 bonds (distance) P-C4' energy: -122.037 flat angles C4'-P-C4' energy: -149.824 flat angles P-C4'-P energy: -105.203 tors. eta vs tors. theta energy: -182.724 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: 4, replica: 4 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1923.468001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.468001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.468001 (E_RNA) where: Base-Base interactions energy: -1345.855 where: short stacking energy: -565.937 Base-Backbone interact. energy: -2.576 local terms energy: -575.036639 where: bonds (distance) C4'-P energy: -104.172 bonds (distance) P-C4' energy: -103.893 flat angles C4'-P-C4' energy: -139.529 flat angles P-C4'-P energy: -79.150 tors. eta vs tors. theta energy: -148.291 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: 5, replica: 8 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1828.521100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.521100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.521100 (E_RNA) where: Base-Base interactions energy: -1244.691 where: short stacking energy: -550.175 Base-Backbone interact. energy: -1.909 local terms energy: -581.921334 where: bonds (distance) C4'-P energy: -110.470 bonds (distance) P-C4' energy: -108.956 flat angles C4'-P-C4' energy: -122.426 flat angles P-C4'-P energy: -89.326 tors. eta vs tors. theta energy: -150.743 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: 6, replica: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1767.537189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.537189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.537189 (E_RNA) where: Base-Base interactions energy: -1218.338 where: short stacking energy: -504.861 Base-Backbone interact. energy: -3.763 local terms energy: -545.436423 where: bonds (distance) C4'-P energy: -97.747 bonds (distance) P-C4' energy: -108.805 flat angles C4'-P-C4' energy: -114.708 flat angles P-C4'-P energy: -74.582 tors. eta vs tors. theta energy: -149.594 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: 7, replica: 6 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1547.883460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.883460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.883460 (E_RNA) where: Base-Base interactions energy: -1041.787 where: short stacking energy: -444.061 Base-Backbone interact. energy: -2.020 local terms energy: -504.075845 where: bonds (distance) C4'-P energy: -109.798 bonds (distance) P-C4' energy: -94.054 flat angles C4'-P-C4' energy: -113.890 flat angles P-C4'-P energy: -78.032 tors. eta vs tors. theta energy: -108.301 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: 2 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1173.932735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.932735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.932735 (E_RNA) where: Base-Base interactions energy: -736.858 where: short stacking energy: -357.347 Base-Backbone interact. energy: -0.398 local terms energy: -436.677012 where: bonds (distance) C4'-P energy: -97.235 bonds (distance) P-C4' energy: -112.542 flat angles C4'-P-C4' energy: -97.780 flat angles P-C4'-P energy: -64.478 tors. eta vs tors. theta energy: -64.642 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: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -977.270199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.270199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.270199 (E_RNA) where: Base-Base interactions energy: -564.492 where: short stacking energy: -283.509 Base-Backbone interact. energy: -2.613 local terms energy: -410.165877 where: bonds (distance) C4'-P energy: -110.832 bonds (distance) P-C4' energy: -115.120 flat angles C4'-P-C4' energy: -108.978 flat angles P-C4'-P energy: -48.828 tors. eta vs tors. theta energy: -26.407 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: 10, replica: 5 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -865.757585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.757585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.757585 (E_RNA) where: Base-Base interactions energy: -491.348 where: short stacking energy: -238.502 Base-Backbone interact. energy: -0.260 local terms energy: -374.150128 where: bonds (distance) C4'-P energy: -92.362 bonds (distance) P-C4' energy: -108.337 flat angles C4'-P-C4' energy: -96.179 flat angles P-C4'-P energy: -59.716 tors. eta vs tors. theta energy: -17.557 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: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2291.806865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.806865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.806865 (E_RNA) where: Base-Base interactions energy: -1613.267 where: short stacking energy: -640.930 Base-Backbone interact. energy: -3.039 local terms energy: -675.501092 where: bonds (distance) C4'-P energy: -130.035 bonds (distance) P-C4' energy: -126.488 flat angles C4'-P-C4' energy: -143.602 flat angles P-C4'-P energy: -97.450 tors. eta vs tors. theta energy: -177.927 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: 2, replica: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2149.360594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.360594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.360594 (E_RNA) where: Base-Base interactions energy: -1487.026 where: short stacking energy: -639.129 Base-Backbone interact. energy: -4.660 local terms energy: -657.674595 where: bonds (distance) C4'-P energy: -117.080 bonds (distance) P-C4' energy: -115.317 flat angles C4'-P-C4' energy: -135.740 flat angles P-C4'-P energy: -106.628 tors. eta vs tors. theta energy: -182.909 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: 7 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2095.217779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.217779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.217779 (E_RNA) where: Base-Base interactions energy: -1445.547 where: short stacking energy: -636.464 Base-Backbone interact. energy: -5.439 local terms energy: -644.232424 where: bonds (distance) C4'-P energy: -117.190 bonds (distance) P-C4' energy: -118.760 flat angles C4'-P-C4' energy: -139.179 flat angles P-C4'-P energy: -85.152 tors. eta vs tors. theta energy: -183.951 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: 4 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1964.848101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.848101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.848101 (E_RNA) where: Base-Base interactions energy: -1364.045 where: short stacking energy: -544.945 Base-Backbone interact. energy: 0.303 local terms energy: -601.106854 where: bonds (distance) C4'-P energy: -114.675 bonds (distance) P-C4' energy: -113.747 flat angles C4'-P-C4' energy: -126.141 flat angles P-C4'-P energy: -82.283 tors. eta vs tors. theta energy: -164.261 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: 5, replica: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1891.585926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.585926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.585926 (E_RNA) where: Base-Base interactions energy: -1290.425 where: short stacking energy: -536.035 Base-Backbone interact. energy: -2.493 local terms energy: -598.667455 where: bonds (distance) C4'-P energy: -94.443 bonds (distance) P-C4' energy: -124.953 flat angles C4'-P-C4' energy: -131.884 flat angles P-C4'-P energy: -85.225 tors. eta vs tors. theta energy: -162.163 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: 6, replica: 9 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1737.867400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.867400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.867400 (E_RNA) where: Base-Base interactions energy: -1163.275 where: short stacking energy: -483.351 Base-Backbone interact. energy: 1.484 local terms energy: -576.076337 where: bonds (distance) C4'-P energy: -109.686 bonds (distance) P-C4' energy: -116.676 flat angles C4'-P-C4' energy: -131.059 flat angles P-C4'-P energy: -78.297 tors. eta vs tors. theta energy: -140.359 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: 7, replica: 6 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1562.039828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.039828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.039828 (E_RNA) where: Base-Base interactions energy: -1055.841 where: short stacking energy: -450.363 Base-Backbone interact. energy: -3.489 local terms energy: -502.709934 where: bonds (distance) C4'-P energy: -90.853 bonds (distance) P-C4' energy: -115.053 flat angles C4'-P-C4' energy: -111.152 flat angles P-C4'-P energy: -79.793 tors. eta vs tors. theta energy: -105.859 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: 8, replica: 2 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1202.855052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.855052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.855052 (E_RNA) where: Base-Base interactions energy: -761.313 where: short stacking energy: -344.997 Base-Backbone interact. energy: 1.382 local terms energy: -442.923724 where: bonds (distance) C4'-P energy: -103.800 bonds (distance) P-C4' energy: -113.975 flat angles C4'-P-C4' energy: -111.803 flat angles P-C4'-P energy: -45.578 tors. eta vs tors. theta energy: -67.768 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: 9, replica: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -967.666352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.666352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.666352 (E_RNA) where: Base-Base interactions energy: -568.491 where: short stacking energy: -274.317 Base-Backbone interact. energy: -2.970 local terms energy: -396.205397 where: bonds (distance) C4'-P energy: -111.806 bonds (distance) P-C4' energy: -119.764 flat angles C4'-P-C4' energy: -79.613 flat angles P-C4'-P energy: -51.216 tors. eta vs tors. theta energy: -33.806 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: 10, replica: 5 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -877.659798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.659798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.659798 (E_RNA) where: Base-Base interactions energy: -453.131 where: short stacking energy: -231.759 Base-Backbone interact. energy: -1.275 local terms energy: -423.254280 where: bonds (distance) C4'-P energy: -95.224 bonds (distance) P-C4' energy: -121.881 flat angles C4'-P-C4' energy: -103.580 flat angles P-C4'-P energy: -77.788 tors. eta vs tors. theta energy: -24.782 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: 1, replica: 1 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2279.814126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.814126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.814126 (E_RNA) where: Base-Base interactions energy: -1605.192 where: short stacking energy: -638.492 Base-Backbone interact. energy: -2.700 local terms energy: -671.922716 where: bonds (distance) C4'-P energy: -124.924 bonds (distance) P-C4' energy: -122.451 flat angles C4'-P-C4' energy: -143.441 flat angles P-C4'-P energy: -95.395 tors. eta vs tors. theta energy: -185.712 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: 2, replica: 10 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2158.284478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.284478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.284478 (E_RNA) where: Base-Base interactions energy: -1487.966 where: short stacking energy: -631.720 Base-Backbone interact. energy: -4.960 local terms energy: -665.358225 where: bonds (distance) C4'-P energy: -117.538 bonds (distance) P-C4' energy: -133.820 flat angles C4'-P-C4' energy: -139.108 flat angles P-C4'-P energy: -91.529 tors. eta vs tors. theta energy: -183.362 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: 7 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2077.542310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.542310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.542310 (E_RNA) where: Base-Base interactions energy: -1446.955 where: short stacking energy: -609.457 Base-Backbone interact. energy: 1.166 local terms energy: -631.752799 where: bonds (distance) C4'-P energy: -123.530 bonds (distance) P-C4' energy: -111.923 flat angles C4'-P-C4' energy: -115.775 flat angles P-C4'-P energy: -96.616 tors. eta vs tors. theta energy: -183.909 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: 4 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1961.965078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.965078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.965078 (E_RNA) where: Base-Base interactions energy: -1309.237 where: short stacking energy: -535.540 Base-Backbone interact. energy: -3.551 local terms energy: -649.177327 where: bonds (distance) C4'-P energy: -126.661 bonds (distance) P-C4' energy: -133.120 flat angles C4'-P-C4' energy: -134.726 flat angles P-C4'-P energy: -87.342 tors. eta vs tors. theta energy: -167.328 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: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1926.078157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.078157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.078157 (E_RNA) where: Base-Base interactions energy: -1308.953 where: short stacking energy: -551.407 Base-Backbone interact. energy: -1.485 local terms energy: -615.639834 where: bonds (distance) C4'-P energy: -112.215 bonds (distance) P-C4' energy: -107.536 flat angles C4'-P-C4' energy: -126.558 flat angles P-C4'-P energy: -94.930 tors. eta vs tors. theta energy: -174.402 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: 6, replica: 9 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1809.241821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.241821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.241821 (E_RNA) where: Base-Base interactions energy: -1230.294 where: short stacking energy: -525.684 Base-Backbone interact. energy: -0.914 local terms energy: -578.033261 where: bonds (distance) C4'-P energy: -100.744 bonds (distance) P-C4' energy: -128.179 flat angles C4'-P-C4' energy: -123.474 flat angles P-C4'-P energy: -80.859 tors. eta vs tors. theta energy: -144.778 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: 7, replica: 6 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1558.386681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.386681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.386681 (E_RNA) where: Base-Base interactions energy: -1071.854 where: short stacking energy: -436.226 Base-Backbone interact. energy: 3.492 local terms energy: -490.024288 where: bonds (distance) C4'-P energy: -102.508 bonds (distance) P-C4' energy: -118.896 flat angles C4'-P-C4' energy: -109.803 flat angles P-C4'-P energy: -57.998 tors. eta vs tors. theta energy: -100.819 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: 8, replica: 2 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1211.962078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.962078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.962078 (E_RNA) where: Base-Base interactions energy: -774.000 where: short stacking energy: -349.152 Base-Backbone interact. energy: -1.799 local terms energy: -436.163079 where: bonds (distance) C4'-P energy: -98.702 bonds (distance) P-C4' energy: -103.186 flat angles C4'-P-C4' energy: -99.022 flat angles P-C4'-P energy: -71.923 tors. eta vs tors. theta energy: -63.329 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: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -961.042255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.042255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.042255 (E_RNA) where: Base-Base interactions energy: -564.625 where: short stacking energy: -275.339 Base-Backbone interact. energy: -1.964 local terms energy: -394.453164 where: bonds (distance) C4'-P energy: -113.109 bonds (distance) P-C4' energy: -98.656 flat angles C4'-P-C4' energy: -82.274 flat angles P-C4'-P energy: -60.100 tors. eta vs tors. theta energy: -40.314 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: 5 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -780.523039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.523039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.523039 (E_RNA) where: Base-Base interactions energy: -433.011 where: short stacking energy: -227.478 Base-Backbone interact. energy: 0.222 local terms energy: -347.734017 where: bonds (distance) C4'-P energy: -84.376 bonds (distance) P-C4' energy: -103.776 flat angles C4'-P-C4' energy: -84.389 flat angles P-C4'-P energy: -56.898 tors. eta vs tors. theta energy: -18.295 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: 1, replica: 1 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2270.734270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.734270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.734270 (E_RNA) where: Base-Base interactions energy: -1584.923 where: short stacking energy: -621.814 Base-Backbone interact. energy: 0.323 local terms energy: -686.133465 where: bonds (distance) C4'-P energy: -120.832 bonds (distance) P-C4' energy: -140.254 flat angles C4'-P-C4' energy: -155.458 flat angles P-C4'-P energy: -95.594 tors. eta vs tors. theta energy: -173.995 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: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2168.013329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.013329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.013329 (E_RNA) where: Base-Base interactions energy: -1487.483 where: short stacking energy: -642.744 Base-Backbone interact. energy: -3.129 local terms energy: -677.400989 where: bonds (distance) C4'-P energy: -116.971 bonds (distance) P-C4' energy: -118.393 flat angles C4'-P-C4' energy: -148.335 flat angles P-C4'-P energy: -97.876 tors. eta vs tors. theta energy: -195.825 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: 7 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2094.180369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.180369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.180369 (E_RNA) where: Base-Base interactions energy: -1450.069 where: short stacking energy: -621.270 Base-Backbone interact. energy: -1.066 local terms energy: -643.044508 where: bonds (distance) C4'-P energy: -116.621 bonds (distance) P-C4' energy: -112.629 flat angles C4'-P-C4' energy: -133.516 flat angles P-C4'-P energy: -83.739 tors. eta vs tors. theta energy: -196.540 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: 4, replica: 4 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1960.420045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.420045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.420045 (E_RNA) where: Base-Base interactions energy: -1347.928 where: short stacking energy: -567.184 Base-Backbone interact. energy: 0.525 local terms energy: -613.017859 where: bonds (distance) C4'-P energy: -104.634 bonds (distance) P-C4' energy: -108.563 flat angles C4'-P-C4' energy: -128.738 flat angles P-C4'-P energy: -98.487 tors. eta vs tors. theta energy: -172.597 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: 5, replica: 8 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1911.356412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.356412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.356412 (E_RNA) where: Base-Base interactions energy: -1301.029 where: short stacking energy: -550.228 Base-Backbone interact. energy: -0.092 local terms energy: -610.234981 where: bonds (distance) C4'-P energy: -121.726 bonds (distance) P-C4' energy: -106.759 flat angles C4'-P-C4' energy: -127.183 flat angles P-C4'-P energy: -94.420 tors. eta vs tors. theta energy: -160.147 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: 9 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1755.006152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.006152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.006152 (E_RNA) where: Base-Base interactions energy: -1214.847 where: short stacking energy: -498.304 Base-Backbone interact. energy: 0.727 local terms energy: -540.885459 where: bonds (distance) C4'-P energy: -106.659 bonds (distance) P-C4' energy: -97.713 flat angles C4'-P-C4' energy: -116.217 flat angles P-C4'-P energy: -79.674 tors. eta vs tors. theta energy: -140.623 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: 7, replica: 6 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1520.288418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.288418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.288418 (E_RNA) where: Base-Base interactions energy: -1024.214 where: short stacking energy: -402.806 Base-Backbone interact. energy: 3.616 local terms energy: -499.690604 where: bonds (distance) C4'-P energy: -111.773 bonds (distance) P-C4' energy: -107.216 flat angles C4'-P-C4' energy: -100.716 flat angles P-C4'-P energy: -72.895 tors. eta vs tors. theta energy: -107.091 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: 8, replica: 2 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1298.414909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.414909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.414909 (E_RNA) where: Base-Base interactions energy: -843.821 where: short stacking energy: -366.221 Base-Backbone interact. energy: 1.063 local terms energy: -455.656681 where: bonds (distance) C4'-P energy: -99.621 bonds (distance) P-C4' energy: -115.423 flat angles C4'-P-C4' energy: -94.174 flat angles P-C4'-P energy: -70.440 tors. eta vs tors. theta energy: -75.998 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: 9, replica: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -968.505108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.505108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.505108 (E_RNA) where: Base-Base interactions energy: -568.575 where: short stacking energy: -267.768 Base-Backbone interact. energy: -3.970 local terms energy: -395.959731 where: bonds (distance) C4'-P energy: -113.719 bonds (distance) P-C4' energy: -85.392 flat angles C4'-P-C4' energy: -97.790 flat angles P-C4'-P energy: -64.188 tors. eta vs tors. theta energy: -34.871 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: 5 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -756.941777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.941777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.941777 (E_RNA) where: Base-Base interactions energy: -426.063 where: short stacking energy: -250.039 Base-Backbone interact. energy: -2.245 local terms energy: -328.633529 where: bonds (distance) C4'-P energy: -98.862 bonds (distance) P-C4' energy: -101.612 flat angles C4'-P-C4' energy: -60.536 flat angles P-C4'-P energy: -50.617 tors. eta vs tors. theta energy: -17.006 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: 1, replica: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2317.902511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.902511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.902511 (E_RNA) where: Base-Base interactions energy: -1624.602 where: short stacking energy: -644.525 Base-Backbone interact. energy: -4.189 local terms energy: -689.110795 where: bonds (distance) C4'-P energy: -137.181 bonds (distance) P-C4' energy: -134.394 flat angles C4'-P-C4' energy: -148.856 flat angles P-C4'-P energy: -92.019 tors. eta vs tors. theta energy: -176.661 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: 2, replica: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2208.367710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.367710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.367710 (E_RNA) where: Base-Base interactions energy: -1535.175 where: short stacking energy: -665.149 Base-Backbone interact. energy: -2.629 local terms energy: -670.563738 where: bonds (distance) C4'-P energy: -125.174 bonds (distance) P-C4' energy: -128.374 flat angles C4'-P-C4' energy: -135.489 flat angles P-C4'-P energy: -90.440 tors. eta vs tors. theta energy: -191.087 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: 7 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2096.594096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.594096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.594096 (E_RNA) where: Base-Base interactions energy: -1462.957 where: short stacking energy: -617.085 Base-Backbone interact. energy: -3.695 local terms energy: -629.942438 where: bonds (distance) C4'-P energy: -105.547 bonds (distance) P-C4' energy: -115.756 flat angles C4'-P-C4' energy: -135.268 flat angles P-C4'-P energy: -84.750 tors. eta vs tors. theta energy: -188.622 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: 4, replica: 4 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1940.941148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.941148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.941148 (E_RNA) where: Base-Base interactions energy: -1344.757 where: short stacking energy: -567.163 Base-Backbone interact. energy: -0.961 local terms energy: -595.223931 where: bonds (distance) C4'-P energy: -117.430 bonds (distance) P-C4' energy: -119.760 flat angles C4'-P-C4' energy: -110.383 flat angles P-C4'-P energy: -93.633 tors. eta vs tors. theta energy: -154.018 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: 5, replica: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1855.242209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.242209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.242209 (E_RNA) where: Base-Base interactions energy: -1270.638 where: short stacking energy: -550.337 Base-Backbone interact. energy: -1.656 local terms energy: -582.947447 where: bonds (distance) C4'-P energy: -104.372 bonds (distance) P-C4' energy: -115.175 flat angles C4'-P-C4' energy: -136.384 flat angles P-C4'-P energy: -69.767 tors. eta vs tors. theta energy: -157.249 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: 9 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1682.216152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.216152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.216152 (E_RNA) where: Base-Base interactions energy: -1127.406 where: short stacking energy: -473.540 Base-Backbone interact. energy: -2.232 local terms energy: -552.578322 where: bonds (distance) C4'-P energy: -107.371 bonds (distance) P-C4' energy: -115.938 flat angles C4'-P-C4' energy: -120.732 flat angles P-C4'-P energy: -75.355 tors. eta vs tors. theta energy: -133.182 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: 7, replica: 6 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1474.009674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.009674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.009674 (E_RNA) where: Base-Base interactions energy: -978.643 where: short stacking energy: -397.974 Base-Backbone interact. energy: -1.533 local terms energy: -493.833674 where: bonds (distance) C4'-P energy: -108.539 bonds (distance) P-C4' energy: -119.014 flat angles C4'-P-C4' energy: -103.003 flat angles P-C4'-P energy: -70.874 tors. eta vs tors. theta energy: -92.403 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: 8, replica: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1236.162385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.162385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.162385 (E_RNA) where: Base-Base interactions energy: -794.866 where: short stacking energy: -376.194 Base-Backbone interact. energy: 0.046 local terms energy: -441.342614 where: bonds (distance) C4'-P energy: -105.652 bonds (distance) P-C4' energy: -107.793 flat angles C4'-P-C4' energy: -117.948 flat angles P-C4'-P energy: -54.076 tors. eta vs tors. theta energy: -55.874 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: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -930.374605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.374605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.374605 (E_RNA) where: Base-Base interactions energy: -521.123 where: short stacking energy: -272.467 Base-Backbone interact. energy: -0.228 local terms energy: -409.023653 where: bonds (distance) C4'-P energy: -97.799 bonds (distance) P-C4' energy: -106.434 flat angles C4'-P-C4' energy: -97.475 flat angles P-C4'-P energy: -76.271 tors. eta vs tors. theta energy: -31.045 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: 10, replica: 5 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -776.852844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.852844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.852844 (E_RNA) where: Base-Base interactions energy: -433.386 where: short stacking energy: -198.993 Base-Backbone interact. energy: 1.776 local terms energy: -345.242134 where: bonds (distance) C4'-P energy: -104.317 bonds (distance) P-C4' energy: -99.345 flat angles C4'-P-C4' energy: -97.430 flat angles P-C4'-P energy: -43.170 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: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2288.713646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.713646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.713646 (E_RNA) where: Base-Base interactions energy: -1619.579 where: short stacking energy: -660.422 Base-Backbone interact. energy: -6.077 local terms energy: -663.057070 where: bonds (distance) C4'-P energy: -129.123 bonds (distance) P-C4' energy: -117.561 flat angles C4'-P-C4' energy: -137.922 flat angles P-C4'-P energy: -95.680 tors. eta vs tors. theta energy: -182.772 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: 2, replica: 7 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2173.963807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.963807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.963807 (E_RNA) where: Base-Base interactions energy: -1475.054 where: short stacking energy: -642.083 Base-Backbone interact. energy: -1.971 local terms energy: -696.938192 where: bonds (distance) C4'-P energy: -121.304 bonds (distance) P-C4' energy: -136.476 flat angles C4'-P-C4' energy: -143.815 flat angles P-C4'-P energy: -103.250 tors. eta vs tors. theta energy: -192.094 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: 3, replica: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2133.501290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.501290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.501290 (E_RNA) where: Base-Base interactions energy: -1483.307 where: short stacking energy: -625.768 Base-Backbone interact. energy: -0.846 local terms energy: -649.348594 where: bonds (distance) C4'-P energy: -114.927 bonds (distance) P-C4' energy: -118.076 flat angles C4'-P-C4' energy: -138.938 flat angles P-C4'-P energy: -84.209 tors. eta vs tors. theta energy: -193.199 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: 4 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1924.946717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.946717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.946717 (E_RNA) where: Base-Base interactions energy: -1320.956 where: short stacking energy: -540.928 Base-Backbone interact. energy: -6.097 local terms energy: -597.892900 where: bonds (distance) C4'-P energy: -100.659 bonds (distance) P-C4' energy: -121.307 flat angles C4'-P-C4' energy: -134.505 flat angles P-C4'-P energy: -75.969 tors. eta vs tors. theta energy: -165.452 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: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1847.602499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.602499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.602499 (E_RNA) where: Base-Base interactions energy: -1247.033 where: short stacking energy: -538.650 Base-Backbone interact. energy: -0.935 local terms energy: -599.634753 where: bonds (distance) C4'-P energy: -119.557 bonds (distance) P-C4' energy: -100.844 flat angles C4'-P-C4' energy: -132.706 flat angles P-C4'-P energy: -86.985 tors. eta vs tors. theta energy: -159.543 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: 6, replica: 9 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1697.496015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.496015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.496015 (E_RNA) where: Base-Base interactions energy: -1137.139 where: short stacking energy: -498.514 Base-Backbone interact. energy: 0.352 local terms energy: -560.708217 where: bonds (distance) C4'-P energy: -108.584 bonds (distance) P-C4' energy: -112.696 flat angles C4'-P-C4' energy: -129.716 flat angles P-C4'-P energy: -74.863 tors. eta vs tors. theta energy: -134.850 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: 6 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1516.205462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.205462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.205462 (E_RNA) where: Base-Base interactions energy: -1013.105 where: short stacking energy: -439.640 Base-Backbone interact. energy: 2.337 local terms energy: -505.437595 where: bonds (distance) C4'-P energy: -112.907 bonds (distance) P-C4' energy: -97.338 flat angles C4'-P-C4' energy: -97.833 flat angles P-C4'-P energy: -80.667 tors. eta vs tors. theta energy: -116.693 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: 2 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1283.717670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.717670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.717670 (E_RNA) where: Base-Base interactions energy: -839.002 where: short stacking energy: -367.364 Base-Backbone interact. energy: -1.439 local terms energy: -443.275798 where: bonds (distance) C4'-P energy: -93.154 bonds (distance) P-C4' energy: -112.069 flat angles C4'-P-C4' energy: -95.608 flat angles P-C4'-P energy: -73.737 tors. eta vs tors. theta energy: -68.708 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: 9, replica: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -942.591380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.591380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.591380 (E_RNA) where: Base-Base interactions energy: -548.705 where: short stacking energy: -255.980 Base-Backbone interact. energy: 1.095 local terms energy: -394.981639 where: bonds (distance) C4'-P energy: -104.793 bonds (distance) P-C4' energy: -110.851 flat angles C4'-P-C4' energy: -81.904 flat angles P-C4'-P energy: -68.920 tors. eta vs tors. theta energy: -28.514 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: 10, replica: 5 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -801.298195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.298195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.298195 (E_RNA) where: Base-Base interactions energy: -428.970 where: short stacking energy: -224.021 Base-Backbone interact. energy: -2.891 local terms energy: -369.436995 where: bonds (distance) C4'-P energy: -105.887 bonds (distance) P-C4' energy: -78.365 flat angles C4'-P-C4' energy: -98.188 flat angles P-C4'-P energy: -69.460 tors. eta vs tors. theta energy: -17.537 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)